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  1. start QscR
  2. geometry units angstroms print xyz autosym
  3. N 14.54700 8.24400 -2.69400
  4. C 15.88800 8.30600 -3.34600
  5. C 15.75500 8.49200 -4.85100
  6. O 16.58800 9.14500 -5.48000
  7. C 16.68900 7.03500 -3.04900
  8. C 16.97100 6.82000 -1.57100
  9. C 17.93300 7.86700 -1.04200
  10. N 18.02100 7.86700 0.41800
  11. C 17.58400 8.85300 1.19700
  12. N 17.03100 9.93300 0.66200
  13. N 17.71100 8.76700 2.51500
  14. N 14.69600 7.92000 -5.41700
  15. C 14.46400 7.94600 -6.86100
  16. C 15.52700 7.13500 -7.60100
  17. O 16.20000 7.63900 -8.50600
  18. C 14.39000 9.38200 -7.39800
  19. C 13.22300 10.20800 -6.85200
  20. C 11.86700 9.75400 -7.37300
  21. O 11.82200 8.82400 -8.20600
  22. O 10.84400 10.33700 -6.95000
  23. N 15.67800 5.88100 -7.18400
  24. C 16.57200 4.93500 -7.83600
  25. C 18.03600 5.31200 -7.96200
  26. O 18.65100 5.05100 -8.99700
  27. N 18.60900 5.92600 -6.93000
  28. C 20.05000 6.15000 -6.93900
  29. C 20.73000 4.78500 -6.89500
  30. O 21.69500 4.54400 -7.62400
  31. C 20.51600 7.02100 -5.76500
  32. C 20.50800 8.52000 -6.02800
  33. C 21.37000 9.09400 -6.96200
  34. C 19.66200 9.36500 -5.31800
  35. C 21.36700 10.46800 -7.19500
  36. C 19.65300 10.73800 -5.54300
  37. C 20.50700 11.28400 -6.47900
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  39. N 20.20000 3.89600 -6.05100
  40. C 20.70600 2.52200 -5.89000
  41. C 20.85700 1.84100 -7.24500
  42. O 21.89000 1.23000 -7.53600
  43. C 19.76200 1.69400 -4.99900
  44. C 20.21900 0.35100 -4.40000
  45. C 20.98300 0.55800 -3.09800
  46. C 19.03300 -0.57600 -4.15300
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  50. O 21.74500 1.37300 -10.85800
  51. C 18.45100 1.53500 -10.07900
  52. N 20.89600 3.38200 -10.27600
  53. C 21.87200 4.14800 -11.03900
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  56. C 21.66000 5.66600 -10.87300
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  58. C 22.62700 6.43800 -11.75600
  59. C 19.94600 7.52400 -11.18700
  60. N 23.41000 3.34100 -9.35800
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  62. C 25.20400 1.63600 -8.98600
  63. O 26.41300 1.39200 -9.07000
  64. C 24.72600 3.43900 -7.28800
  65. C 26.08300 3.88900 -6.75100
  66. C 26.67700 4.96200 -7.64400
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  69. C 24.64200 -0.69700 -9.37300
  70. C 25.11200 -0.82800 -10.82900
  71. O 25.83600 -1.76200 -11.17500
  72. C 23.49100 -1.66300 -9.07400
  73. O 22.38100 -1.41800 -9.91600
  74. N 24.69900 0.12400 -11.66500
  75. C 25.11400 0.19200 -13.06400
  76. C 26.56500 0.63200 -13.18800
  77. O 27.34300 0.03300 -13.92700
  78. C 24.25200 1.20000 -13.83100
  79. C 22.76800 0.91900 -13.81100
  80. C 21.98300 2.03700 -14.48000
  81. N 20.54900 1.88000 -14.25700
  82. C 19.74500 1.15400 -15.02800
  83. N 20.23100 0.51800 -16.08800
  84. N 18.45000 1.06300 -14.73900
  85. N 26.91700 1.68900 -12.46500
  86. C 28.23900 2.29800 -12.57100
  87. C 29.37400 1.27700 -12.65100
  88. O 29.57400 0.48300 -11.73300
  89. C 28.48400 3.29900 -11.43200
  90. C 27.40200 4.37800 -11.46100
  91. C 29.86600 3.92700 -11.55200
  92. C 27.73400 5.60100 -10.64900
  93. N 30.10600 1.30700 -13.76200
  94. C 31.19900 0.37200 -13.98200
  95. C 32.46800 1.09700 -14.38900
  96. O 33.53900 0.49400 -14.44400
  97. C 30.85300 -0.65800 -15.06900
  98. N 32.34400 2.39000 -14.68000
  99. C 33.49600 3.20200 -15.08300
  100. C 33.68000 4.44900 -14.20000
  101. O 32.76600 4.85200 -13.48000
  102. C 33.41900 3.61300 -16.57900
  103. O 32.27000 4.43700 -16.80200
  104. C 33.33200 2.38500 -17.47100
  105. N 34.87500 5.03800 -14.25900
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  108. O 33.95700 8.24800 -13.15100
  109. C 36.69700 6.57400 -13.64800
  110. C 37.59300 5.84800 -12.66500
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  139. C 33.21600 11.51300 -13.36800
  140. C 33.66900 12.94800 -13.35300
  141. C 32.81800 13.97000 -13.75600
  142. C 34.96000 13.27800 -12.94800
  143. C 33.24500 15.29900 -13.75000
  144. C 35.39100 14.60900 -12.93800
  145. C 34.52900 15.61700 -13.33800
  146. N 30.11200 11.37500 -13.44400
  147. C 28.84600 12.05100 -13.73200
  148. C 27.77900 11.91100 -12.62300
  149. O 27.05600 12.88000 -12.34900
  150. C 28.30700 11.73400 -15.14600
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  152. N 27.68400 10.74400 -11.97300
  153. C 26.77400 10.62800 -10.82100
  154. C 27.12100 11.70400 -9.74900
  155. O 26.24400 12.46500 -9.30900
  156. C 26.80900 9.22400 -10.20900
  157. N 28.38900 11.76400 -9.32800
  158. C 28.80000 12.76300 -8.33100
  159. C 28.45900 14.17300 -8.83100
  160. O 27.86400 14.96000 -8.10100
  161. C 30.31000 12.67700 -7.95300
  162. C 30.68000 13.81200 -7.05200
  163. C 30.64300 11.34700 -7.28800
  164. N 28.80400 14.47100 -10.08500
  165. C 28.52800 15.78900 -10.66000
  166. C 27.03600 16.15400 -10.68400
  167. O 26.68300 17.29100 -10.38500
  168. C 29.14000 15.91600 -12.05600
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  170. C 28.90900 18.40900 -11.95800
  171. C 29.76000 17.32400 -14.00400
  172. N 26.17200 15.20200 -11.03700
  173. C 24.72500 15.42800 -10.99500
  174. C 24.25500 15.69300 -9.56900
  175. O 23.41100 16.55700 -9.33500
  176. C 23.93300 14.24500 -11.59200
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  181. N 24.79600 14.93800 -8.61700
  182. C 24.45900 15.11700 -7.20600
  183. C 24.91300 16.50600 -6.75700
  184. O 24.16200 17.25500 -6.11700
  185. C 25.09200 14.00800 -6.33000
  186. C 24.49500 12.64900 -6.69000
  187. C 24.85500 14.26100 -4.86100
  188. C 25.12900 11.48400 -5.93700
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  190. C 26.66100 18.17100 -6.79300
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  192. O 25.34400 20.15600 -6.52400
  193. C 28.04300 18.36600 -7.40000
  194. S 28.65400 20.02100 -7.19400
  195. N 25.31000 19.15700 -8.55100
  196. C 24.37400 20.10100 -9.14400
  197. C 22.99000 20.02000 -8.52100
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  199. N 22.40600 18.82400 -8.50700
  200. C 21.09400 18.61400 -7.89800
  201. C 21.00000 19.13100 -6.48500
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  203. C 20.74300 17.13000 -7.87500
  204. C 20.14300 16.65700 -9.16400
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  206. N 20.60400 15.51400 -9.64200
  207. N 22.06200 18.92400 -5.70400
  208. C 22.04300 19.33000 -4.29800
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  210. O 22.73800 21.09400 -2.80900
  211. C 22.63400 18.22600 -3.40600
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  213. C 20.94200 16.89300 -2.08200
  214. C 21.31600 16.29500 -4.37100
  215. C 19.97900 15.88300 -1.98300
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  238. C 29.32900 25.55700 -7.46900
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  247. C 33.45800 22.74400 -6.70700
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  266. C 35.59100 16.21600 -5.03800
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  858. C 42.69800 35.08100 -6.57500
  859. C 43.06400 34.05200 -8.47800
  860. N 42.97200 35.24000 -7.91300
  861. N 39.94800 30.85600 -5.78300
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  865. C 40.13100 28.80400 -7.16400
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  867. N 41.71800 29.45200 -9.00800
  868. C 42.71900 28.95300 -7.14000
  869. C 43.01100 29.61600 -9.21100
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  871. N 37.30400 30.39000 -5.61700
  872. C 35.89600 30.10600 -5.28800
  873. C 35.61600 28.92300 -4.36400
  874. O 34.47200 28.55400 -4.18300
  875. N 36.64400 28.31900 -3.78200
  876. C 36.44100 27.15700 -2.91500
  877. C 36.24100 27.58900 -1.46100
  878. O 37.15000 27.48200 -0.64900
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  880. C 37.79600 25.81800 -4.57200
  881. C 37.39900 24.90100 -2.26400
  882. C 39.19800 25.35700 -4.93300
  883. N 35.03600 28.06200 -1.14000
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  885. C 33.89200 27.99600 1.13600
  886. O 34.28800 27.79600 2.28700
  887. C 34.22100 30.17700 -0.17400
  888. C 33.66100 30.98400 1.00000
  889. C 33.21500 32.45500 0.62500
  890. N 34.35500 33.21300 0.12800
  891. C 34.68700 33.29000 -1.15800
  892. N 33.90900 32.72700 -2.07900
  893. N 35.78600 33.93600 -1.52600
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  895. C 31.78800 26.89700 1.61300
  896. C 31.69600 25.44300 1.22700
  897. O 31.26500 25.11800 0.14300
  898. C 30.42600 27.50300 1.56600
  899. C 30.43200 28.97900 1.74500
  900. N 30.28000 29.57700 2.97500
  901. C 30.52900 29.98800 0.84400
  902. C 30.29700 30.89400 2.82800
  903. N 30.44500 31.16900 1.54500
  904. N 32.12400 24.55800 2.11400
  905. C 32.19500 23.15900 1.76600
  906. C 31.50600 22.28200 2.77600
  907. O 31.33000 22.66200 3.93900
  908. N 31.14200 21.09200 2.31600
  909. C 30.51700 20.08300 3.13700
  910. C 31.26900 18.82000 2.81200
  911. O 31.29100 18.38800 1.64800
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  913. C 28.26600 19.23200 3.72800
  914. C 28.70400 18.40800 4.73200
  915. C 26.83800 19.28300 3.84200
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  919. C 25.15400 18.33900 5.36500
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  921. C 24.18200 18.98400 4.64100
  922. N 31.91500 18.23500 3.81600
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  925. O 32.07300 16.05800 5.66400
  926. C 34.17000 17.29900 3.76400
  927. O 34.53100 18.41400 2.98700
  928. N 32.13700 14.70200 3.87600
  929. C 31.70300 13.51400 4.56900
  930. C 32.71500 12.40100 4.41800
  931. O 32.75700 11.75000 3.37600
  932. C 30.38200 12.99500 3.99500
  933. C 29.32700 14.10200 4.02400
  934. C 29.88500 11.79900 4.80800
  935. C 28.36400 14.01900 2.87800
  936. N 33.54300 12.18200 5.44900
  937. C 34.49300 11.06900 5.40000
  938. C 33.77200 9.79000 5.71700
  939. O 32.74200 9.82300 6.38900
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  941. C 34.70300 12.25100 7.47700
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  943. N 34.30100 8.67500 5.23100
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  945. C 34.78100 6.26200 5.38400
  946. O 35.70800 6.37900 4.57700
  947. C 32.51100 7.01900 4.67200
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  956. C 37.36600 5.39800 7.69800
  957. N 38.28900 6.13400 8.55700
  958. C 38.13900 7.39900 8.94200
  959. N 37.08000 8.12400 8.58100
  960. N 39.07400 7.93100 9.70400
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  965. N 35.69700 -1.06500 2.85400
  966. C 36.48600 -2.28800 2.81600
  967. C 37.91000 -2.08200 2.33200
  968. O 38.17000 -1.20400 1.50900
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  971. C 34.00100 -5.07200 1.94800
  972. C 32.68200 -5.50900 2.55700
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  975. C 40.22200 -2.95400 2.43700
  976. C 41.09900 -1.83000 2.95100
  977. O 42.16100 -1.55900 2.39500
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  979. C 39.57800 -4.24100 0.42700
  980. C 39.81300 -5.47700 1.01400
  981. C 38.63800 -4.15700 -0.59600
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  984. C 38.23000 -6.52300 -0.41000
  985. O 37.60300 -7.70200 -0.77800
  986. N 40.66800 -1.18800 4.02200
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  988. C 41.25400 1.18300 3.74800
  989. O 42.00100 2.14600 3.93400
  990. N 40.28300 1.18600 2.83300
  991. C 39.99200 2.38700 2.03000
  992. C 39.25300 3.39700 2.87000
  993. O 38.24900 3.05700 3.51300
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  995. C 39.98200 1.42700 -0.37000
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  997. C 40.80800 2.45600 -1.12400
  998. N 39.76500 4.63100 2.85900
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  1000. C 38.72600 6.76700 2.46700
  1001. O 39.57600 7.22800 1.70500
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  1003. C 40.43600 5.35300 5.61100
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  1008. C 36.28200 9.30600 1.83100
  1009. O 35.92500 9.44300 3.01700
  1010. C 36.00900 7.30400 0.42100
  1011. O 36.61100 6.08300 0.01600
  1012. N 36.11500 10.24600 0.90000
  1013. C 35.51700 11.52500 1.26900
  1014. C 34.83700 12.24100 0.11000
  1015. O 35.46200 12.49500 -0.91900
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  1017. C 35.92100 13.64800 2.63100
  1018. S 37.06700 14.67300 3.58500
  1019. C 38.24400 15.16100 2.33000
  1020. N 33.56300 12.56700 0.29500
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  1022. C 32.91500 14.87500 -0.13200
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  1025. C 30.52200 13.85000 -1.66000
  1026. C 31.00600 13.79300 -3.11500
  1027. C 29.04500 13.38000 -1.55700
  1028. N 33.22600 15.81300 -1.02500
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  1032. C 34.43700 17.91800 -0.54000
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  1034. N 31.27500 18.72500 -1.21800
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  1036. C 30.77300 20.99700 -1.63100
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  1039. C 28.62600 17.91600 -2.35600
  1040. C 27.13800 17.76100 -2.39900
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  1047. C 33.57100 24.59100 -2.21300
  1048. C 33.76400 22.21400 -1.65400
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  1058. N 24.73300 25.16300 -1.27600
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  1060. N 30.86700 28.75600 -3.94800
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  1074. C 26.33600 30.18200 1.21000
  1075. O 26.59000 29.06400 0.74300
  1076. C 24.75200 30.80000 -0.65100
  1077. C 23.61600 31.79400 -0.90200
  1078. C 24.02000 33.00700 -1.75100
  1079. O 24.26700 32.84500 -2.96900
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  1081. N 26.47200 30.47100 2.50200
  1082. C 27.03400 29.48600 3.42800
  1083. C 26.05700 28.37400 3.78200
  1084. O 24.85900 28.55900 3.68600
  1085. C 27.62700 30.13600 4.69400
  1086. O 26.75100 31.07000 5.28800
  1087. N 26.59300 27.21600 4.18100
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  1089. C 25.24700 26.23000 5.96600
  1090. O 26.01400 26.18300 6.93400
  1091. C 26.56800 24.77200 4.39300
  1092. C 27.24200 24.73900 3.02200
  1093. C 25.65100 23.57000 4.56500
  1094. C 28.23300 23.62200 2.85700
  1095. N 23.93700 26.45100 6.08000
  1096. C 23.31000 26.78400 7.36200
  1097. C 22.52500 25.63700 7.99300
  1098. O 22.20700 24.64100 7.32600
  1099. C 22.42100 28.01100 7.22200
  1100. N 22.20400 25.79400 9.27900
  1101. C 21.54200 24.74700 10.04500
  1102. C 20.40600 24.08400 9.27300
  1103. O 20.31400 22.85600 9.24600
  1104. C 21.05700 25.27700 11.39500
  1105. N 19.56500 24.89700 8.63200
  1106. C 18.43000 24.40000 7.84200
  1107. C 18.80900 23.46900 6.67600
  1108. O 18.31800 22.34700 6.59000
  1109. C 17.54600 25.56100 7.33400
  1110. O 16.82700 26.11500 8.44100
  1111. C 16.54200 25.07900 6.28300
  1112. N 19.67000 23.94500 5.78500
  1113. C 20.10300 23.16800 4.62600
  1114. C 20.70800 21.84500 5.07400
  1115. O 20.66500 20.84400 4.35700
  1116. C 21.13200 23.96400 3.84200
  1117. C 21.52200 23.37900 2.52100
  1118. C 22.49900 24.27400 1.79300
  1119. O 23.04100 25.18900 2.45800
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  1121. N 21.26800 21.85100 6.27800
  1122. C 21.84700 20.65400 6.86600
  1123. C 20.73400 19.76800 7.40900
  1124. O 20.70100 18.56900 7.13900
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  1126. C 24.07500 21.67700 7.37800
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  1128. C 24.91800 22.43100 8.36300
  1129. N 19.82600 20.37000 8.17400
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  1131. C 18.04200 18.85600 7.54600
  1132. O 17.61000 17.72500 7.74400
  1133. C 17.62100 20.69900 9.20400
  1134. C 16.10700 20.45400 9.14400
  1135. C 15.66400 19.27800 10.01400
  1136. C 15.34800 21.72600 9.54000
  1137. N 18.05800 19.43300 6.35100
  1138. C 17.47100 18.81100 5.17800
  1139. C 18.30300 17.69700 4.56400
  1140. O 17.91000 16.54100 4.61800
  1141. C 17.18500 19.86600 4.11500
  1142. C 16.81100 19.28100 2.76700
  1143. C 16.62700 20.35800 1.72500
  1144. O 16.63600 21.54400 2.11500
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  1147. C 20.23800 17.13500 3.16400
  1148. C 21.24200 16.22900 3.89500
  1149. O 21.77100 15.27500 3.29400
  1150. C 20.97600 17.92500 2.06800
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  1157. C 22.42300 14.29200 5.90500
  1158. O 23.40800 13.63600 5.56400
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  1160. C 23.39600 15.56000 8.41600
  1161. C 24.85100 15.97000 8.15500
  1162. O 25.48100 16.61100 9.03600
  1163. O 25.36600 15.65900 7.05800
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  1166. C 21.38400 11.72400 4.87500
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  1183. C 25.21300 11.92600 2.58500
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  1190. C 25.74500 10.67600 4.58900
  1191. C 25.52800 9.27700 4.01800
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  1199. C 24.56800 7.58800 1.56700
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  1202. C 21.97000 6.34900 2.16600
  1203. C 21.78400 5.12200 2.74100
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  1228. C 28.26100 4.55900 0.65000
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  1274. C 35.97200 5.81500 -5.73100
  1275. C 35.84800 6.47000 -6.95300
  1276. C 37.17000 5.93800 -5.04700
  1277. C 36.90600 7.22000 -7.48200
  1278. C 38.23300 6.69800 -5.58000
  1279. C 38.09400 7.33300 -6.79300
  1280. N 35.17000 1.92300 -4.28300
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  1282. C 35.99600 -0.46000 -4.53700
  1283. O 37.07500 -1.00500 -4.77900
  1284. N 34.82600 -0.95400 -4.94600
  1285. C 34.73000 -2.14600 -5.81000
  1286. C 35.25500 -1.82700 -7.19600
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  1289. C 32.81700 -3.40000 -4.72600
  1290. O 33.63200 -4.15400 -4.15500
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  1292. N 35.08300 -0.57500 -7.59700
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  1294. C 37.04700 -0.05200 -8.97100
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  1300. N 37.72500 0.15000 -7.84900
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  1302. C 40.11100 -0.43100 -7.03300
  1303. O 41.30400 -0.53400 -7.33900
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  1305. C 39.07600 2.70200 -9.02400
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  1310. C 41.57800 -2.53700 -5.86800
  1311. O 42.73300 -2.47800 -5.44000
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  1313. N 41.25000 -3.18800 -7.01400
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  1315. C 43.56100 -3.06900 -8.02400
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  1317. C 41.48500 -3.69900 -9.28000
  1318. C 40.03000 -3.85100 -8.91500
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  1320. N 43.62900 -1.94700 -8.73500
  1321. C 44.90100 -1.22800 -8.84400
  1322. C 45.23400 -0.41300 -7.59400
  1323. O 46.40100 -0.14100 -7.31800
  1324. C 44.95900 -0.36600 -10.11600
  1325. C 45.17600 -1.20000 -11.38200
  1326. C 45.54500 -0.37200 -12.61500
  1327. N 45.84500 -1.24100 -13.75800
  1328. C 46.16500 -0.82100 -14.98200
  1329. N 46.23600 0.47500 -15.26000
  1330. N 46.41700 -1.71000 -15.93500
  1331. N 44.20300 -0.05200 -6.83300
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  1333. C 44.92100 -0.00900 -4.45000
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  1335. C 43.02200 1.41100 -5.19500
  1336. C 42.38600 2.20700 -6.33200
  1337. C 43.22700 2.31200 -3.99300
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  1341. C 45.12000 -3.37900 -3.55000
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  1355. C 45.43600 -7.40100 -1.31100
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  1372. N 43.77000 -10.89600 -1.53200
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  1374. C 43.46400 -12.60800 0.31200
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  1452. S 51.36200 -19.61400 13.19600
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  1519. C 58.60200 -16.31600 17.12400
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  1527. O 57.79400 -20.09400 16.82200
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  1626. N 59.17200 -30.22400 7.31400
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  1674. O 54.58300 -15.78500 5.72200
  1675. C 55.21100 -16.64400 8.80900
  1676. C 54.37600 -16.40600 10.06800
  1677. C 56.00100 -15.39600 8.43900
  1678. C 55.18200 -16.55300 11.34100
  1679. N 55.85100 -17.64600 5.93700
  1680. C 56.45700 -17.54100 4.60800
  1681. C 55.38800 -17.46400 3.51600
  1682. O 55.44300 -16.57900 2.65500
  1683. C 57.51200 -18.65200 4.34700
  1684. C 57.93700 -18.71900 2.85100
  1685. C 58.72700 -18.41700 5.24800
  1686. N 54.39600 -18.34500 3.58300
  1687. C 53.26400 -18.29500 2.64000
  1688. C 52.44300 -17.04600 2.73300
  1689. O 51.94500 -16.55700 1.72500
  1690. C 52.32000 -19.46900 2.83800
  1691. C 52.91800 -20.71000 2.36900
  1692. O 53.84500 -20.64900 1.55400
  1693. N 52.47200 -21.85900 2.89400
  1694. N 52.26200 -16.55500 3.95100
  1695. C 51.47400 -15.35000 4.15800
  1696. C 52.24400 -14.16800 3.59800
  1697. O 51.66400 -13.24200 3.06400
  1698. C 51.18300 -15.16500 5.62000
  1699. N 53.56500 -14.23400 3.68500
  1700. C 54.41200 -13.18800 3.15900
  1701. C 54.30400 -13.14000 1.64600
  1702. O 54.18300 -12.05100 1.06000
  1703. C 55.86200 -13.40900 3.57200
  1704. C 56.15200 -13.03500 4.99200
  1705. S 57.76700 -13.59500 5.59400
  1706. C 58.89500 -13.09500 4.28600
  1707. N 54.36600 -14.31800 1.02200
  1708. C 54.30400 -14.41900 -0.42700
  1709. C 52.95600 -13.93100 -0.98700
  1710. O 52.92100 -13.18300 -1.96400
  1711. C 54.59400 -15.84700 -0.88300
  1712. C 54.69000 -15.99200 -2.40300
  1713. C 54.72800 -17.46400 -2.84700
  1714. N 53.60200 -18.21600 -2.30100
  1715. C 53.70700 -19.09000 -1.30100
  1716. N 54.89700 -19.33400 -0.75800
  1717. N 52.62700 -19.72400 -0.85000
  1718. N 51.85400 -14.32700 -0.35900
  1719. C 50.54200 -13.86300 -0.78400
  1720. C 50.38100 -12.35400 -0.66800
  1721. O 49.75800 -11.74100 -1.53600
  1722. C 49.44400 -14.49600 0.04500
  1723. C 49.24900 -15.97100 -0.14800
  1724. C 48.35800 -16.50100 0.95800
  1725. C 47.83500 -17.88400 0.63300
  1726. N 46.78100 -18.21600 1.63700
  1727. N 50.90900 -11.75500 0.40500
  1728. C 50.75700 -10.31200 0.65400
  1729. C 51.91400 -9.54400 0.06200
  1730. O 52.12900 -8.36400 0.36300
  1731. C 50.71000 -10.04100 2.14800
  1732. C 49.47600 -10.49300 2.91200
  1733. C 49.82900 -10.82200 4.34300
  1734. C 48.42600 -9.39200 2.83700
  1735. N 52.67500 -10.24500 -0.76500
  1736. C 53.84500 -9.70300 -1.43000
  1737. C 54.75600 -8.86600 -0.54100
  1738. O 55.09500 -7.73500 -0.87600
  1739. C 53.42200 -8.92200 -2.65600
  1740. C 54.32700 -9.18000 -3.81400
  1741. O 53.98300 -9.94200 -4.73100
  1742. N 55.52000 -8.59600 -3.76700
  1743. N 55.15200 -9.42900 0.59300
  1744. C 56.04800 -8.73600 1.49800
  1745. C 57.36000 -9.48800 1.58800
  1746. O 57.37000 -10.70600 1.55800
  1747. C 55.42500 -8.62200 2.89300
  1748. O 54.07700 -8.16300 2.83800
  1749. N 58.46200 -8.75400 1.70700
  1750. C 59.77900 -9.35500 1.90600
  1751. C 60.13800 -9.64100 3.37900
  1752. O 61.20700 -10.18200 3.67000
  1753. C 60.85700 -8.49000 1.24000
  1754. O 60.44400 -7.13000 1.17800
  1755. N 59.25200 -9.29100 4.30700
  1756. C 59.50300 -9.58600 5.70400
  1757. C 58.21000 -9.72900 6.49500
  1758. O 57.19900 -9.09400 6.17400
  1759. C 60.48200 -8.57300 6.33500
  1760. C 59.84600 -7.22100 6.62700
  1761. O 58.92700 -7.11200 7.43900
  1762. N 60.36100 -6.17700 5.99000
  1763. N 58.24100 -10.56500 7.52400
  1764. C 57.02000 -10.87500 8.26200
  1765. C 56.39600 -9.64900 8.92500
  1766. O 55.18200 -9.59800 9.10800
  1767. C 57.26900 -11.98600 9.27900
  1768. C 58.20300 -11.59800 10.38800
  1769. C 58.61800 -12.82100 11.17800
  1770. C 59.21700 -12.40700 12.51700
  1771. N 59.72700 -13.62700 13.19400
  1772. N 57.22600 -8.66700 9.27600
  1773. C 56.73900 -7.42000 9.87800
  1774. C 55.91200 -6.61200 8.87300
  1775. O 54.79700 -6.16000 9.17400
  1776. C 57.90900 -6.58400 10.46400
  1777. N 56.43900 -6.45400 7.66400
  1778. C 55.67100 -5.80500 6.61900
  1779. C 54.35700 -6.54000 6.42400
  1780. O 53.27300 -5.92900 6.46800
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  1784. O 57.28000 -6.09000 2.75100
  1785. O 56.20500 -4.35500 1.93100
  1786. N 54.44300 -7.85700 6.23800
  1787. C 53.24200 -8.66400 5.97300
  1788. C 52.18400 -8.47100 7.03500
  1789. O 51.02600 -8.22200 6.73300
  1790. C 53.60400 -10.14400 5.82000
  1791. N 52.60100 -8.54700 8.28600
  1792. C 51.72100 -8.38000 9.42300
  1793. C 50.97300 -7.06100 9.35800
  1794. O 49.75000 -7.01500 9.45800
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  1796. O 53.17300 -9.71900 10.80500
  1797. C 51.74200 -8.16800 11.95300
  1798. N 51.71300 -5.97000 9.20100
  1799. C 51.08100 -4.66400 9.11900
  1800. C 50.17800 -4.54400 7.89800
  1801. O 49.05700 -4.05600 8.01500
  1802. C 52.11500 -3.55300 9.17600
  1803. C 52.84600 -3.51400 10.51800
  1804. S 51.66300 -3.20900 11.86300
  1805. C 50.78900 -1.82300 11.11200
  1806. N 50.63500 -5.01300 6.73800
  1807. C 49.76900 -4.98300 5.55500
  1808. C 48.50400 -5.76300 5.81900
  1809. O 47.41800 -5.35000 5.42000
  1810. C 50.46100 -5.53200 4.31400
  1811. C 51.49400 -4.58700 3.72700
  1812. C 52.22900 -5.13300 2.47300
  1813. C 51.31000 -5.33200 1.28400
  1814. N 52.04900 -5.37100 -0.04600
  1815. N 48.63800 -6.90200 6.48600
  1816. C 47.47500 -7.73600 6.76200
  1817. C 46.54700 -6.97700 7.68400
  1818. O 45.32600 -6.98200 7.50300
  1819. C 47.89800 -9.06200 7.39600
  1820. N 47.12400 -6.29600 8.66900
  1821. C 46.30800 -5.54900 9.60100
  1822. C 45.45400 -4.48600 8.90500
  1823. O 44.24000 -4.37800 9.14500
  1824. C 47.16600 -4.87300 10.66600
  1825. C 46.29000 -4.20400 11.67500
  1826. C 45.81200 -4.91000 12.75900
  1827. C 45.85400 -2.89500 11.49300
  1828. C 44.98200 -4.32100 13.67300
  1829. C 45.01100 -2.30200 12.39400
  1830. C 44.58200 -3.02800 13.48900
  1831. O 43.73800 -2.46400 14.41900
  1832. N 46.10300 -3.68300 8.07100
  1833. C 45.45000 -2.54000 7.42400
  1834. C 44.25600 -2.94900 6.56500
  1835. O 43.29700 -2.18900 6.45000
  1836. C 46.45700 -1.75600 6.59100
  1837. N 44.32300 -4.15400 5.99000
  1838. C 43.30800 -4.69000 5.07900
  1839. C 42.12000 -5.31000 5.79900
  1840. O 41.15400 -5.74700 5.16400
  1841. C 43.92800 -5.77500 4.14900
  1842. C 44.98600 -5.14900 3.25300
  1843. C 42.87900 -6.46100 3.29900
  1844. C 44.53600 -3.83000 2.64100
  1845. N 42.19000 -5.36700 7.12100
  1846. C 41.12500 -5.99300 7.90200
  1847. C 41.27200 -7.50600 8.02000
  1848. O 40.39000 -8.16500 8.58300
  1849. N 42.37900 -8.05400 7.50000
  1850. C 42.62800 -9.51200 7.51400
  1851. C 42.81000 -10.06400 8.92400
  1852. O 42.42000 -11.19200 9.21500
  1853. C 43.83400 -9.90900 6.63100
  1854. C 43.57600 -9.71000 5.12900
  1855. C 44.75800 -10.07100 4.23400
  1856. C 42.35000 -10.51500 4.72900
  1857. N 43.41200 -9.27100 9.79700
  1858. C 43.54900 -9.68200 11.17900
  1859. C 42.26400 -9.22900 11.81400
  1860. O 41.33900 -8.85000 11.09300
  1861. C 44.76100 -9.03500 11.82000
  1862. C 46.02800 -9.39100 11.04200
  1863. C 47.28000 -9.11000 11.83800
  1864. C 46.02400 -10.85800 10.61600
  1865. N 42.18000 -9.25300 13.13900
  1866. C 40.94000 -8.85600 13.80600
  1867. C 39.68000 -9.32800 13.07700
  1868. O 39.15700 -10.40700 13.38900
  1869. C 40.89700 -7.33500 14.09000
  1870. C 40.64000 -6.47400 12.84000
  1871. O 41.48400 -5.66000 12.46700
  1872. N 39.46600 -6.62400 12.22100
  1873. O 39.16500 -8.66300 12.17100
  1874. N 15.78400 18.94100 14.29500
  1875. C 16.54700 18.01100 15.17500
  1876. C 16.92800 18.66000 16.50000
  1877. O 16.52000 19.78500 16.79800
  1878. C 17.80200 17.49900 14.46400
  1879. C 17.51800 16.63900 13.24300
  1880. C 18.77900 16.06000 12.62900
  1881. O 19.87300 16.27500 13.19100
  1882. O 18.67400 15.38600 11.58300
  1883. N 17.71300 17.93600 17.28900
  1884. C 18.15800 18.41000 18.58900
  1885. C 18.82000 17.28000 19.34700
  1886. O 18.28400 16.78600 20.33600
  1887. N 19.98400 16.85900 18.86300
  1888. C 20.74400 15.78100 19.49200
  1889. C 22.19100 16.19000 19.72400
  1890. O 22.76900 15.88100 20.76700
  1891. C 20.67400 14.50100 18.65800
  1892. C 19.29300 13.90200 18.61500
  1893. C 18.84600 13.07100 19.63400
  1894. C 18.42700 14.18400 17.56500
  1895. C 17.57900 12.52900 19.60500
  1896. C 17.15600 13.64800 17.52700
  1897. C 16.73800 12.82100 18.55000
  1898. O 15.47500 12.28700 18.51300
  1899. N 22.77400 16.88400 18.75100
  1900. C 24.12500 17.40700 18.90300
  1901. C 24.17700 18.33800 20.11300
  1902. O 25.23000 18.50500 20.73400
  1903. C 24.57100 18.14600 17.63900
  1904. C 24.70100 17.31800 16.36000
  1905. C 25.18000 18.19100 15.21500
  1906. C 25.64700 16.14400 16.56600
  1907. N 23.02900 18.93500 20.43800
  1908. C 22.89000 19.80200 21.60700
  1909. C 22.87100 18.98300 22.90200
  1910. O 23.40900 19.41400 23.92100
  1911. C 21.62400 20.65800 21.49800
  1912. N 22.25400 17.80300 22.85600
  1913. C 22.21100 16.90800 24.01200
  1914. C 23.57900 16.27500 24.24500
  1915. O 24.01800 16.11500 25.38600
  1916. C 21.20200 15.75700 23.81600
  1917. C 19.91200 16.25800 23.16700
  1918. C 20.92200 15.05900 25.14600
  1919. C 18.95700 15.14200 22.79500
  1920. N 24.24100 15.91100 23.14900
  1921. C 25.54300 15.26100 23.20000
  1922. C 26.63000 16.20800 23.69700
  1923. O 27.38300 15.86900 24.60600
  1924. C 25.91100 14.69800 21.82500
  1925. N 26.70400 17.39700 23.10500
  1926. C 27.69100 18.39400 23.51700
  1927. C 27.55400 18.74100 25.00300
  1928. O 28.39200 19.45400 25.56000
  1929. C 27.59000 19.65900 22.65000
  1930. O 26.42800 20.41900 22.94400
  1931. N 26.49500 18.22700 25.63100
  1932. C 26.23400 18.42000 27.06400
  1933. C 26.50500 17.14600 27.86400
  1934. O 27.01000 17.20200 28.98700
  1935. C 24.79200 18.87500 27.29400
  1936. C 24.53700 20.32200 26.93700
  1937. C 23.05900 20.65000 26.99700
  1938. N 22.82200 22.08200 26.84600
  1939. C 22.76400 22.71600 25.67900
  1940. N 22.93000 22.04500 24.54500
  1941. N 22.54200 24.02600 25.64600
  1942. N 26.14800 16.00500 27.27600
  1943. C 26.38600 14.69100 27.87500
  1944. C 27.87000 14.49600 28.18600
  1945. O 28.72500 14.73000 27.32700
  1946. C 25.92000 13.56500 26.92400
  1947. C 24.39700 13.58600 26.78000
  1948. C 26.40300 12.20000 27.41300
  1949. C 23.88000 12.73900 25.63700
  1950. N 28.17600 14.06600 29.40900
  1951. C 29.56900 13.87600 29.80900
  1952. C 29.82700 12.61200 30.63500
  1953. O 30.94200 12.40800 31.11700
  1954. C 30.10800 15.10900 30.56700
  1955. O 29.10400 15.58500 31.47000
  1956. C 30.46300 16.22800 29.59600
  1957. N 28.81000 11.76300 30.78100
  1958. C 28.94300 10.52600 31.56700
  1959. C 28.30900 9.29200 30.90300
  1960. O 27.60400 9.41100 29.90100
  1961. C 28.34600 10.69600 32.97900
  1962. O 27.04200 11.27900 32.87600
  1963. C 29.22900 11.59500 33.83700
  1964. N 28.57000 8.11300 31.47500
  1965. C 28.03700 6.83900 30.97200
  1966. C 26.52300 6.76100 31.03100
  1967. O 25.87900 6.34900 30.06900
  1968. C 28.59700 5.65200 31.76500
  1969. C 29.77600 4.92800 31.13100
  1970. C 29.97800 3.53500 31.71900
  1971. O 29.22000 3.15800 32.63700
  1972. O 30.88900 2.81400 31.26400
  1973. N 25.96500 7.13100 32.17900
  1974. C 24.52600 7.05500 32.38300
  1975. C 23.80300 8.01300 31.44600
  1976. O 22.77700 7.66400 30.86400
  1977. C 24.16800 7.34300 33.84500
  1978. N 24.35000 9.21600 31.29600
  1979. C 23.77000 10.21300 30.39700
  1980. C 23.71300 9.66300 28.97100
  1981. O 22.78700 9.96300 28.21700
  1982. C 24.56300 11.52400 30.44700
  1983. N 24.70900 8.85700 28.61400
  1984. C 24.72400 8.15000 27.34000
  1985. C 23.75100 6.96800 27.42600
  1986. O 22.95400 6.73700 26.51800
  1987. C 26.14400 7.66500 27.02800
  1988. C 26.28700 6.99800 25.68600
  1989. C 26.62100 7.73800 24.56100
  1990. C 26.10900 5.62900 25.55100
  1991. C 26.76500 7.12700 23.32200
  1992. C 26.24700 5.01200 24.31800
  1993. C 26.57700 5.76300 23.20100
  1994. N 23.81700 6.23500 28.53500
  1995. C 22.92500 5.10500 28.78000
  1996. C 21.45600 5.49500 28.61300
  1997. O 20.68300 4.77300 27.98200
  1998. C 23.16600 4.52800 30.18300
  1999. C 22.11300 3.55000 30.63400
  2000. C 20.92100 3.99900 31.19000
  2001. C 22.31900 2.18200 30.51600
  2002. C 19.94700 3.10200 31.60900
  2003. C 21.35200 1.28100 30.93400
  2004. C 20.16300 1.74100 31.48100
  2005. N 21.07100 6.63500 29.17400
  2006. C 19.67600 7.06200 29.09800
  2007. C 19.34300 7.87400 27.83900
  2008. O 18.18100 7.94800 27.44100
  2009. C 19.23500 7.78600 30.38100
  2010. O 20.12600 8.82900 30.73300
  2011. N 20.35500 8.46500 27.20600
  2012. C 20.14300 9.19600 25.95400
  2013. C 19.83700 8.23700 24.80800
  2014. O 19.26500 8.63000 23.79400
  2015. C 21.35800 10.05400 25.60100
  2016. N 20.23000 6.97800 24.97500
  2017. C 19.96600 5.94600 23.97800
  2018. C 18.70900 5.17700 24.35500
  2019. O 18.02300 4.62700 23.49300
  2020. C 21.13300 4.94500 23.86400
  2021. C 20.93300 4.02400 22.66700
  2022. C 22.45000 5.67900 23.74500
  2023. N 18.41900 5.14100 25.65300
  2024. C 17.23600 4.45700 26.15300
  2025. C 15.98200 5.20700 25.72600
  2026. O 14.92200 4.61100 25.56000
  2027. C 17.29500 4.30800 27.67600
  2028. C 16.24000 3.40200 28.32600
  2029. C 16.10200 2.08000 27.57500
  2030. C 16.54900 3.15600 29.80500
  2031. N 16.11500 6.51800 25.54100
  2032. C 15.01100 7.33800 25.04900
  2033. C 14.83700 7.15400 23.54300
  2034. O 13.72300 6.94200 23.06700
  2035. C 15.22900 8.81600 25.38100
  2036. C 15.10500 9.15100 26.85800
  2037. C 15.18400 10.64300 27.13100
  2038. O 14.84900 11.43900 26.22700
  2039. O 15.57700 11.02100 28.25300
  2040. N 15.94100 7.23800 22.80000
  2041. C 15.93100 7.02700 21.34800
  2042. C 15.42400 5.62500 21.03400
  2043. O 14.73900 5.40100 20.03300
  2044. C 17.34000 7.19600 20.73700
  2045. C 17.84000 8.62800 20.93100
  2046. C 17.33900 6.82800 19.25500
  2047. C 19.25400 8.85400 20.44000
  2048. N 15.77900 4.68700 21.90500
  2049. C 15.31100 3.32400 21.80300
  2050. C 13.79500 3.36100 21.68000
  2051. O 13.22800 2.90700 20.68400
  2052. C 15.71900 2.55400 23.05400
  2053. S 15.57800 0.78100 22.91300
  2054. N 13.15400 3.94700 22.68900
  2055. C 11.69800 4.04600 22.75800
  2056. C 11.05300 4.96300 21.73300
  2057. O 10.07100 4.58000 21.09600
  2058. N 11.59600 6.17100 21.57100
  2059. C 11.04100 7.17100 20.63900
  2060. C 10.99800 6.72300 19.17400
  2061. O 10.59300 7.48400 18.29100
  2062. C 11.78800 8.50800 20.75200
  2063. C 11.44300 9.27300 22.01900
  2064. O 10.72000 8.78000 22.88500
  2065. N 11.96100 10.49100 22.13000
  2066. N 11.42300 5.48900 18.92600
  2067. C 11.40900 4.92200 17.58700
  2068. C 10.91800 3.48400 17.63100
  2069. O 11.23500 2.67800 16.75800
  2070. C 12.79800 5.00600 16.95000
  2071. C 13.22900 6.42600 16.67300
  2072. C 12.60100 7.17600 15.68700
  2073. C 14.25500 7.02000 17.39800
  2074. C 12.97900 8.48200 15.42500
  2075. C 14.64600 8.32900 17.14200
  2076. C 14.00000 9.05600 16.15300
  2077. O 14.36900 10.35700 15.88200
  2078. N 10.14200 3.17600 18.66300
  2079. C 9.55600 1.85500 18.82700
  2080. C 10.56000 0.75500 19.11000
  2081. O 10.66300 -0.20500 18.34800
  2082. N 11.30900 0.89400 20.20100
  2083. C 12.22600 -0.16100 20.63500
  2084. C 12.33700 -0.24000 22.15700
  2085. O 12.10300 0.74000 22.86500
  2086. C 13.60100 -0.01800 19.97600
  2087. C 13.59400 -0.32400 18.50800
  2088. C 13.62300 -1.63600 18.06200
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  2091. C 13.52200 0.41300 16.21400
  2092. C 13.55800 -0.90100 15.77900
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  2094. C 12.76000 -1.66300 24.08400
  2095. C 14.19000 -2.03700 24.46000
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  2098. C 11.37900 -2.83000 25.90900
  2099. C 10.32500 -3.89100 26.15500
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  2112. C 14.12300 -7.68600 25.46900
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  2121. C 19.47800 1.54200 26.54600
  2122. C 21.64800 1.69000 25.54200
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  2138. C 26.74500 3.44200 19.29600
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  2258. C 30.15000 -6.99800 25.82800
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  2300. C 17.15300 -9.28500 28.19600
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  2327. C 21.98400 -15.22500 24.43500
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  2330. C 24.71400 -11.15500 30.68300
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  2491. C 33.51200 -8.97500 7.97400
  2492. C 34.26400 -9.99300 8.83000
  2493. C 34.08000 -11.40800 8.27500
  2494. C 35.74200 -9.61300 8.91900
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  2496. C 30.96000 -5.41900 6.91900
  2497. C 30.71300 -4.01600 7.44800
  2498. O 30.70300 -3.79800 8.65900
  2499. C 29.62900 -6.15900 6.76300
  2500. C 29.75900 -7.62700 6.36700
  2501. C 29.93700 -7.81700 4.87700
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  2505. C 30.25400 -1.67600 6.91800
  2506. C 28.81400 -1.23400 6.64700
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  2508. C 31.24100 -0.75600 6.20600
  2509. C 32.69000 -1.10700 6.47700
  2510. C 33.53900 -0.19700 7.09800
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  2513. C 34.53200 -2.67700 6.38200
  2514. C 35.35400 -1.74300 6.99100
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  2517. C 26.54000 -1.97600 6.05800
  2518. C 25.68500 -2.40700 7.26200
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  2520. C 26.08000 -2.72000 4.78400
  2521. O 26.69900 -4.01400 4.73100
  2522. C 26.47900 -1.93000 3.54400
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  2525. C 23.02400 -3.41800 8.38000
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  2528. C 22.59900 -0.48800 7.18300
  2529. C 24.01800 -0.59700 6.69600
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  2532. C 20.56700 -5.51500 10.12500
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  2535. C 22.41500 -7.82600 9.78300
  2536. C 22.24100 -8.22700 8.32400
  2537. C 23.40500 -8.73800 10.48400
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  2539. C 18.18200 -5.94100 9.97200
  2540. C 18.10400 -7.45900 10.18200
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  2542. C 17.01700 -5.49500 9.05800
  2543. C 17.21700 -4.05300 8.56500
  2544. C 15.66800 -5.68800 9.76500
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  2551. C 19.50600 -8.96100 13.62900
  2552. C 20.29000 -7.85100 13.57400
  2553. C 19.17500 -9.14800 15.01400
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  2556. C 18.41600 -10.09400 15.71200
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  2558. C 18.30200 -9.96700 17.08900
  2559. C 18.92900 -8.91100 17.77400
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  2565. N 22.27700 -23.81200 19.50200
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  2567. C 21.60100 -22.17100 21.15800
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  2569. C 21.82700 -24.59000 21.80300
  2570. C 21.18700 -25.94900 21.67400
  2571. C 21.82300 -26.97300 20.98600
  2572. C 19.94800 -26.20500 22.25200
  2573. C 21.23200 -28.22800 20.87200
  2574. C 19.35200 -27.45600 22.14200
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  2577. C 22.98100 -20.14800 21.08200
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  2580. C 24.27600 -19.67500 20.41900
  2581. C 24.47200 -18.18300 20.47300
  2582. C 24.73800 -17.54700 21.67500
  2583. C 24.39100 -17.41700 19.32100
  2584. C 24.91500 -16.17700 21.73000
  2585. C 24.56900 -16.04600 19.37000
  2586. C 24.83400 -15.42500 20.57700
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  2589. C 18.98200 -18.78800 19.84500
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  2592. C 20.63100 -17.55000 16.71800
  2593. C 21.57500 -17.71400 15.74400
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  2596. C 21.23200 -15.50700 15.86400
  2597. C 19.56300 -15.34200 17.61100
  2598. C 21.25900 -14.11800 15.69200
  2599. C 19.59100 -13.96100 17.43500
  2600. C 20.43200 -13.36700 16.48400
  2601. N 18.75300 -20.07600 20.10600
  2602. C 17.60800 -20.53300 20.87700
  2603. C 17.64300 -19.95100 22.28400
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  2605. C 17.60500 -22.05600 20.94500
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  2607. C 19.02600 -19.47300 24.25000
  2608. C 18.68400 -17.98200 24.33200
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  2610. C 20.47200 -19.70900 24.70200
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  2613. C 17.04400 -15.55400 22.92300
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  2615. C 19.36000 -15.18500 22.04300
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  2620. C 14.60000 -17.08600 20.60500
  2621. C 15.17300 -17.21300 19.19200
  2622. C 14.74000 -18.53300 18.56700
  2623. C 14.75900 -16.03800 18.31800
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  2626. C 13.66200 -15.83100 25.83700
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  2628. C 13.47500 -18.31700 25.35000
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  2631. C 13.41900 -19.63700 23.10600
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  2638. C 16.17600 -13.51800 26.51500
  2639. C 16.75900 -14.56600 27.40900
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  2641. C 17.19200 -14.50300 28.69100
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  2644. N 13.60300 -12.31100 24.58300
  2645. C 13.05400 -11.09600 23.98100
  2646. C 13.98500 -10.44000 22.97400
  2647. O 13.86200 -9.24900 22.68400
  2648. N 14.91300 -11.22400 22.43400
  2649. C 15.89000 -10.71800 21.47300
  2650. C 15.85200 -11.54400 20.18200
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  2652. C 17.29600 -10.72400 22.08400
  2653. C 17.23800 -10.14300 23.49800
  2654. C 18.25400 -9.91900 21.22700
  2655. C 18.29500 -10.67400 24.42200
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  2663. C 14.52100 -7.31900 16.53300
  2664. O 14.20600 -6.61900 17.49400
  2665. C 12.23800 -8.29200 16.28700
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  2668. C 10.71900 -10.34300 15.77300
  2669. C 10.26400 -10.92100 17.84100
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  2671. N 15.53000 -7.00100 15.71700
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  2673. C 17.25400 -5.34200 14.80700
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  2676. C 18.51200 -3.49800 13.77500
  2677. C 19.90600 -3.14300 14.29500
  2678. O 20.04600 -2.32700 15.20500
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  2680. N 20.93500 -3.75700 13.72000
  2681. C 22.30400 -3.46100 14.11900
  2682. C 23.01000 -2.53700 13.11800
  2683. O 22.95900 -2.76600 11.90800
  2684. C 23.09200 -4.75400 14.31500
  2685. O 22.59100 -5.47300 15.42200
  2686. N 23.66100 -1.49500 13.63000
  2687. C 24.35900 -0.51500 12.78400
  2688. C 25.83900 -0.41300 13.15000
  2689. O 26.17900 0.06300 14.23100
  2690. C 23.72600 0.88900 12.91600
  2691. C 22.22000 0.82100 12.65400
  2692. C 24.38000 1.87000 11.96400
  2693. C 21.46700 1.99500 13.21000
  2694. N 26.72300 -0.87600 12.25500
  2695. C 28.15800 -0.84700 12.48500
  2696. C 28.85000 0.39600 11.92000
  2697. O 28.74500 0.68500 10.72700
  2698. C 28.63700 -2.08600 11.74000
  2699. C 27.74100 -2.17200 10.59600
  2700. C 26.38600 -1.67900 11.06900
  2701. N 29.56800 1.11300 12.78000
  2702. C 30.31400 2.28600 12.35600
  2703. C 31.73500 2.21600 12.86100
  2704. O 31.96700 1.83700 14.00900
  2705. C 29.71300 3.58100 12.92200
  2706. C 28.44700 3.96200 12.18300
  2707. C 29.46000 3.44000 14.43300
  2708. N 32.68800 2.56900 12.00400
  2709. C 34.08400 2.64900 12.42400
  2710. C 34.08900 2.65800 12.40900
  2711. C 34.32800 4.02000 13.04200
  2712. O 33.79200 5.01600 12.58300
  2713. C 35.01000 2.42700 11.23500
  2714. C 35.00300 2.48100 11.20000
  2715. C 34.73200 1.13800 10.46300
  2716. C 35.08900 1.05300 10.70000
  2717. C 34.93900 -0.09200 11.33000
  2718. C 35.94600 0.21800 11.62500
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  2720. N 35.99600 -1.18400 11.22300
  2721. C 34.38400 -2.22900 10.20500
  2722. C 36.81100 -1.66700 10.29300
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  2726. N 36.78600 -2.95900 10.00200
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  2728. C 35.35000 5.35700 14.76100
  2729. C 36.79300 5.66500 15.07700
  2730. O 37.70500 4.93000 14.68900
  2731. N 37.00500 6.75700 15.79800
  2732. C 38.35700 7.15300 16.15900
  2733. C 39.11700 6.04100 16.87900
  2734. O 38.52600 5.11000 17.43700
  2735. C 38.35500 8.41500 17.02900
  2736. C 37.69100 9.63600 16.41200
  2737. C 37.86500 10.84900 17.33300
  2738. C 39.34000 11.04300 17.68400
  2739. N 39.65400 12.39000 18.22700
  2740. N 40.43900 6.14200 16.83800
  2741. C 41.30700 5.23700 17.56700
  2742. C 41.18000 3.77400 17.11900
  2743. O 41.58300 2.86100 17.83200
  2744. C 41.04800 5.40600 19.06700
  2745. C 41.08500 6.86300 19.48700
  2746. C 42.19700 7.66500 19.18700
  2747. C 40.01800 7.44700 20.17700
  2748. C 42.24800 8.99900 19.56100
  2749. C 40.05500 8.77400 20.54800
  2750. C 41.17800 9.54700 20.24800
  2751. O 41.23500 10.87900 20.62000
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  2753. C 40.47300 2.21300 15.41600
  2754. C 39.31600 1.45200 16.04400
  2755. O 39.11800 0.27900 15.74600
  2756. N 38.56900 2.11300 16.92800
  2757. C 37.37400 1.51100 17.51800
  2758. C 36.38800 1.09200 16.44000
  2759. O 36.13700 1.82200 15.47200
  2760. C 36.67200 2.48500 18.46400
  2761. C 37.34000 2.81300 19.80100
  2762. C 36.83100 4.14900 20.34500
  2763. C 37.14600 1.71500 20.81800
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  2765. C 34.79400 -0.56900 15.73600
  2766. C 33.57900 -0.72000 16.62800
  2767. O 33.62800 -1.44100 17.62500
  2768. C 35.14200 -1.91700 15.11400
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  2770. C 34.00000 -2.37300 14.23000
  2771. C 36.97200 -3.13100 13.74300
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  2774. C 30.06100 -0.39500 16.51700
  2775. O 29.99000 -0.51500 15.29100
  2776. C 31.21600 1.43500 17.74900
  2777. O 32.30000 1.71200 18.61900
  2778. N 29.03500 -0.63200 17.32900
  2779. C 27.74500 -1.03500 16.77600
  2780. C 26.54200 -0.64300 17.63600
  2781. O 26.54200 -0.82200 18.85100
  2782. C 27.72500 -2.53900 16.47500
  2783. C 26.63300 -2.97000 15.49700
  2784. S 26.82300 -4.66600 14.88600
  2785. C 26.96500 -5.54700 16.44000
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  2787. C 24.26400 0.18300 17.64600
  2788. C 23.28600 -0.89100 17.19600
  2789. O 22.92100 -0.95500 16.02100
  2790. C 23.73100 1.56000 17.28500
  2791. C 22.41700 1.88300 17.99100
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  2793. C 21.86700 3.19900 17.47500
  2794. N 22.88500 -1.74200 18.13600
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  2796. C 20.66100 -2.68000 18.53900
  2797. O 20.44900 -3.24000 19.61100
  2798. C 22.63400 -4.17400 18.30600
  2799. O 23.95100 -4.30500 17.79800
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  2801. C 18.43600 -1.68100 18.52900
  2802. C 17.47600 -2.85200 18.29900
  2803. O 16.96700 -3.03800 17.19600
  2804. C 17.81300 -0.37900 18.01200
  2805. C 18.37300 0.95400 18.52600
  2806. C 17.58600 2.12200 17.94800
  2807. C 18.37100 1.01800 20.05000
  2808. N 17.22900 -3.62600 19.35200
  2809. C 16.34300 -4.78900 19.27700
  2810. C 14.98400 -4.55400 19.95900
  2811. O 14.85000 -3.66100 20.79400
  2812. C 17.04000 -6.05600 19.83400
  2813. C 18.03500 -5.67600 20.91000
  2814. C 16.01700 -7.05000 20.38000
  2815. N 13.97700 -5.34300 19.57900
  2816. C 12.63400 -5.22700 20.16400
  2817. C 11.92600 -6.57300 20.33000
  2818. O 12.27200 -7.56500 19.68500
  2819. C 11.74900 -4.27900 19.34100
  2820. C 11.16400 -4.88600 18.06500
  2821. C 10.56400 -3.80500 17.17100
  2822. N 10.12100 -4.32200 15.87600
  2823. C 9.88300 -3.56500 14.80600
  2824. N 10.05800 -2.25000 14.86600
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  2826. N 10.92300 -6.58900 21.19900
  2827. C 10.13000 -7.78500 21.44000
  2828. C 8.75600 -7.62800 20.77500
  2829. O 7.73000 -7.51500 21.45000
  2830. C 9.99900 -8.02600 22.94300
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  2832. N 8.76400 -7.62300 19.44200
  2833. C 7.57700 -7.37400 18.61700
  2834. C 6.91300 -6.03100 18.90800
  2835. O 6.93700 -5.12800 18.07100
  2836. C 6.56600 -8.51800 18.72300
  2837. O 7.00500 -9.63400 17.97100
  2838. N 9.01100 -7.11600 13.16800
  2839. C 10.31600 -7.39300 12.56900
  2840. C 10.64900 -6.41600 11.43000
  2841. O 10.37200 -5.21600 11.52500
  2842. C 10.37800 -8.84500 12.07000
  2843. O 9.37500 -9.10200 11.10000
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  2845. C 11.62400 -6.17200 9.17300
  2846. C 10.42800 -5.41500 8.59000
  2847. O 9.30500 -5.92700 8.57700
  2848. C 12.17000 -7.10200 8.05100
  2849. C 12.92200 -8.30300 8.63600
  2850. C 13.01100 -6.32100 7.04400
  2851. C 13.13500 -9.43200 7.64400
  2852. N 10.67200 -4.20100 8.10400
  2853. C 9.63600 -3.41900 7.43300
  2854. C 10.26200 -2.42700 6.45400
  2855. O 10.74400 -1.37300 6.86200
  2856. C 8.76100 -2.69600 8.45200
  2857. N 10.25500 -2.77100 5.16700
  2858. C 10.83800 -1.91600 4.12800
  2859. C 10.25200 -0.50200 4.14200
  2860. O 10.86100 0.43000 3.62000
  2861. C 10.67400 -2.55400 2.74700
  2862. N 9.07100 -0.35800 4.74500
  2863. C 8.39200 0.93700 4.88100
  2864. C 8.72500 1.60100 6.22000
  2865. O 8.36000 2.75300 6.46500
  2866. C 6.86100 0.79000 4.76100
  2867. N 9.41000 0.85400 7.08200
  2868. C 9.86800 1.35000 8.37700
  2869. C 11.39300 1.48600 8.33000
  2870. O 11.97400 2.37300 8.96200
  2871. C 9.43600 0.38900 9.48900
  2872. C 9.94100 0.73500 10.88500
  2873. C 9.70300 -0.38500 11.88500
  2874. O 9.13700 -1.42900 11.49200
  2875. O 10.08600 -0.22500 13.06400
  2876. N 12.02600 0.59200 7.57000
  2877. C 13.46400 0.63900 7.33100
  2878. C 13.76200 1.78200 6.37500
  2879. O 14.40900 2.75500 6.74900
  2880. C 13.98400 -0.67300 6.71800
  2881. N 13.27400 1.66900 5.14300
  2882. C 13.42400 2.74200 4.16200
  2883. C 12.80900 4.05500 4.67000
  2884. O 12.83700 5.06700 3.97600
  2885. C 12.81600 2.34100 2.80800
  2886. C 13.49100 1.21300 2.01200
  2887. C 12.59400 0.70300 0.88600
  2888. C 14.83900 1.65600 1.46100
  2889. N 12.26600 4.03000 5.88700
  2890. C 11.68600 5.22100 6.50900
  2891. C 12.59700 5.82700 7.58300
  2892. O 12.69200 7.04800 7.70800
  2893. C 10.31200 4.90900 7.10600
  2894. N 13.26100 4.97700 8.35800
  2895. C 14.17800 5.45200 9.39400
  2896. C 15.63500 5.11900 9.06200
  2897. O 16.55400 5.55000 9.75800
  2898. C 13.79400 4.87400 10.75800
  2899. N 15.83000 4.35800 7.98700
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  2901. C 18.22300 4.97700 7.70400
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  2913. O 17.70400 9.03900 6.29400
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  2916. C 19.16600 7.50900 11.38000
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  2920. C 17.18600 10.42700 13.03000
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  2922. C 17.33700 10.75600 14.37200
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  3318. C 70.89300 4.90200 5.31800
  3319. C 69.81100 5.63400 4.51700
  3320. O 70.11400 6.39500 3.59700
  3321. C 71.23700 3.57900 4.61700
  3322. C 72.52000 2.84200 5.01900
  3323. C 72.51600 1.41300 4.46700
  3324. C 73.76900 3.60600 4.59000
  3325. N 68.55100 5.38400 4.85200
  3326. C 67.44300 6.08500 4.21300
  3327. C 67.35800 7.55300 4.67200
  3328. O 67.19900 8.46200 3.84700
  3329. C 66.10400 5.40100 4.52700
  3330. C 66.08400 3.97800 3.97000
  3331. C 64.94400 6.22100 3.98600
  3332. C 64.88000 3.17800 4.41500
  3333. N 67.47000 7.77200 5.98500
  3334. C 67.33200 9.10800 6.56900
  3335. C 68.63200 9.91000 6.67000
  3336. O 68.63100 11.03600 7.17900
  3337. C 66.71200 9.01200 7.96300
  3338. C 65.30300 8.43900 8.06600
  3339. C 64.78800 8.62900 9.47800
  3340. C 64.36700 9.09800 7.06300
  3341. N 69.73500 9.34400 6.19000
  3342. C 71.02900 9.99100 6.35200
  3343. C 71.16400 10.41900 7.79900
  3344. O 71.35800 11.59700 8.09000
  3345. C 71.15800 11.20900 5.43900
  3346. O 71.12700 10.82500 4.08100
  3347. N 71.02200 9.45500 8.70100
  3348. C 71.18500 9.69400 10.12700
  3349. C 71.83400 8.47700 10.78900
  3350. O 71.86300 7.38900 10.21000
  3351. C 69.84500 10.00600 10.82200
  3352. C 68.96000 8.75400 10.87800
  3353. C 69.12400 11.17300 10.13100
  3354. C 67.76100 8.91000 11.77400
  3355. N 72.33800 8.66800 12.00500
  3356. C 73.06600 7.62800 12.73500
  3357. C 72.11300 6.56900 13.25400
  3358. O 70.90900 6.78300 13.25000
  3359. C 73.84800 8.25300 13.89900
  3360. C 74.81500 7.27900 14.55000
  3361. O 74.84700 6.09800 14.13400
  3362. O 75.54400 7.69500 15.47900
  3363. N 72.65400 5.43600 13.70400
  3364. C 71.83100 4.31800 14.19700
  3365. C 71.25800 4.51100 15.59600
  3366. O 70.06400 4.31600 15.79400
  3367. C 72.57500 2.97600 14.13100
  3368. C 71.86400 1.86100 14.91000
  3369. C 72.26900 0.46000 14.47900
  3370. O 73.27000 0.26700 13.78100
  3371. N 71.48600 -0.53100 14.89800
  3372. N 72.10200 4.86500 16.56400
  3373. C 71.63200 5.11700 17.92900
  3374. C 70.50900 6.15100 17.88700
  3375. O 69.68800 6.23300 18.79900
  3376. C 72.76900 5.62600 18.81900
  3377. C 73.52800 6.80000 18.20800
  3378. C 74.38600 7.56100 19.22500
  3379. N 73.61000 8.54600 19.97900
  3380. C 74.13800 9.55800 20.66800
  3381. N 75.45600 9.73400 20.70100
  3382. N 73.34500 10.40300 21.31800
  3383. N 70.49400 6.93500 16.81300
  3384. C 69.48900 7.96100 16.60100
  3385. C 68.12900 7.30000 16.35500
  3386. O 67.11200 7.70400 16.92900
  3387. C 69.87900 8.87800 15.40300
  3388. O 71.25700 9.27100 15.51400
  3389. C 68.99900 10.12400 15.34400
  3390. N 68.12400 6.27100 15.51100
  3391. C 66.90100 5.56700 15.15000
  3392. C 66.30700 4.92400 16.39900
  3393. O 65.11800 5.10500 16.70600
  3394. C 67.17400 4.48500 14.06600
  3395. C 65.88800 3.80800 13.63200
  3396. C 67.87700 5.09600 12.85900
  3397. N 67.15800 4.19400 17.12000
  3398. C 66.78000 3.48100 18.34300
  3399. C 66.20200 4.43000 19.41700
  3400. O 65.16400 4.15000 20.02900
  3401. C 67.99800 2.72500 18.88000
  3402. C 67.71100 1.84300 20.06400
  3403. C 68.98400 1.26900 20.63300
  3404. C 68.70400 0.51800 21.93200
  3405. N 69.95500 -0.00300 22.57300
  3406. N 66.89100 5.55100 19.62200
  3407. C 66.48200 6.60900 20.54800
  3408. C 64.97200 6.90200 20.44700
  3409. O 64.21900 6.77700 21.42700
  3410. C 67.31400 7.85900 20.22000
  3411. C 67.10600 9.02900 21.15200
  3412. C 68.02400 9.30500 22.14900
  3413. C 66.02500 9.88800 20.99300
  3414. C 67.85600 10.39600 22.99100
  3415. C 65.84600 10.96600 21.82800
  3416. C 66.76700 11.23000 22.82600
  3417. N 64.54400 7.26400 19.24200
  3418. C 63.18400 7.71100 19.00400
  3419. C 62.16900 6.60000 19.10500
  3420. O 61.07300 6.76200 19.67700
  3421. C 63.11300 8.40900 17.66100
  3422. C 63.75100 9.76100 17.67800
  3423. N 64.97500 10.01300 17.10000
  3424. C 63.35800 10.92200 18.25400
  3425. C 65.29600 11.28100 17.29100
  3426. N 64.32800 11.85300 17.98400
  3427. N 62.54500 5.45400 18.57800
  3428. C 61.69700 4.29900 18.73100
  3429. C 61.52000 4.02700 20.22500
  3430. O 60.40500 4.09700 20.72000
  3431. C 62.23100 3.07100 17.94900
  3432. C 62.00100 3.27600 16.45200
  3433. C 61.52600 1.82700 18.40200
  3434. C 62.86200 2.34700 15.55000
  3435. N 62.61100 3.74800 20.93800
  3436. C 62.55600 3.45300 22.37500
  3437. C 61.63500 4.41400 23.16400
  3438. O 60.94800 4.00400 24.11600
  3439. C 63.98100 3.47900 22.99700
  3440. C 63.92700 3.54000 24.52600
  3441. C 64.80600 2.27600 22.51800
  3442. N 61.63700 5.69200 22.78100
  3443. C 60.76300 6.66800 23.42700
  3444. C 59.28000 6.35700 23.13700
  3445. O 58.44200 6.37600 24.05700
  3446. C 61.10300 8.10600 22.99000
  3447. C 62.49800 8.56600 23.44000
  3448. O 63.04800 8.07900 24.43100
  3449. N 63.06100 9.53400 22.71500
  3450. N 58.96600 6.06700 21.86600
  3451. C 57.58600 5.80500 21.45500
  3452. C 57.06100 4.53400 22.09400
  3453. O 55.88400 4.46900 22.51900
  3454. C 57.47500 5.72400 19.95800
  3455. N 57.92700 3.52500 22.18500
  3456. C 57.52700 2.29100 22.85700
  3457. C 56.96400 2.65200 24.21900
  3458. O 55.85000 2.24700 24.54900
  3459. C 58.68600 1.29700 23.00300
  3460. C 58.89500 0.41600 21.79900
  3461. S 60.45400 -0.49200 21.86500
  3462. C 60.28100 -1.26300 23.47400
  3463. N 57.71700 3.43800 24.98900
  3464. C 57.29900 3.79800 26.33400
  3465. C 55.93500 4.50200 26.34100
  3466. O 54.97700 3.97900 26.88600
  3467. C 58.37600 4.63600 27.04000
  3468. C 58.23800 4.69000 28.56100
  3469. C 59.21700 5.69200 29.17100
  3470. N 59.13600 7.01400 28.54500
  3471. C 58.18500 7.91400 28.79300
  3472. N 57.21500 7.64900 29.66300
  3473. N 58.19900 9.08100 28.16400
  3474. N 55.84300 5.67200 25.71500
  3475. C 54.56200 6.38200 25.63200
  3476. C 53.43200 5.42200 25.29400
  3477. O 52.34500 5.53700 25.85300
  3478. C 54.58200 7.43600 24.53200
  3479. C 55.64400 8.50200 24.61600
  3480. C 55.47000 9.37400 23.39100
  3481. C 56.39400 10.54700 23.37600
  3482. N 56.20200 11.22800 22.08100
  3483. N 53.70000 4.50300 24.35100
  3484. C 52.70800 3.54200 23.86100
  3485. C 52.62900 2.26300 24.67700
  3486. O 51.92700 1.31300 24.28000
  3487. C 53.00800 3.14900 22.41700
  3488. C 52.71000 4.18400 21.34700
  3489. C 53.51400 3.85100 20.10400
  3490. C 51.20900 4.22800 21.08200
  3491. N 53.37700 2.21000 25.78000
  3492. C 53.26700 1.09300 26.71200
  3493. C 53.35500 -0.24200 25.97800
  3494. O 52.46000 -1.07300 26.07500
  3495. C 51.93600 1.19600 27.47000
  3496. C 51.96000 0.47800 28.80800
  3497. O 52.87700 0.66700 29.62700
  3498. N 50.92800 -0.33200 29.05600
  3499. N 54.42600 -0.43000 25.21900
  3500. C 54.59500 -1.65500 24.44500
  3501. C 55.90200 -2.35300 24.80100
  3502. O 56.87400 -1.70700 25.18900
  3503. C 54.53300 -1.36400 22.94300
  3504. O 53.27300 -0.82400 22.58200
  3505. N 55.91000 -3.67400 24.65700
  3506. C 57.06300 -4.48800 24.99600
  3507. C 58.16400 -4.36800 23.95600
  3508. O 59.33200 -4.60300 24.26300
  3509. C 56.65200 -5.95800 25.07700
  3510. O 55.60000 -6.15300 25.99900
  3511. N 57.78000 -4.03900 22.72300
  3512. C 58.71300 -4.03800 21.60700
  3513. C 58.22000 -3.15200 20.46000
  3514. O 57.08500 -2.69100 20.46200
  3515. C 58.99400 -5.47200 21.13800
  3516. C 57.71500 -6.29700 20.96500
  3517. O 56.91300 -6.06400 20.05900
  3518. N 57.53100 -7.26700 21.83800
  3519. N 59.09700 -2.90100 19.49900
  3520. C 58.80400 -1.96900 18.42900
  3521. C 57.65800 -2.42300 17.51000
  3522. O 56.85100 -1.59800 17.06900
  3523. C 60.07500 -1.65300 17.63700
  3524. C 60.82400 -2.88800 17.16300
  3525. C 61.62200 -2.58200 15.92500
  3526. C 62.72400 -3.57400 15.68400
  3527. N 63.42200 -3.16100 14.44500
  3528. N 57.56000 -3.72300 17.23600
  3529. C 56.44200 -4.21500 16.42100
  3530. C 55.10700 -3.97000 17.12000
  3531. O 54.18400 -3.45300 16.50800
  3532. C 56.61500 -5.66800 16.05800
  3533. N 54.99100 -4.30300 18.40400
  3534. C 53.73100 -3.99500 19.10500
  3535. C 53.41300 -2.49800 19.06500
  3536. O 52.25500 -2.09900 18.83600
  3537. C 53.73200 -4.47900 20.55200
  3538. C 52.36800 -4.33600 21.19100
  3539. C 52.34000 -4.74400 22.65500
  3540. O 53.41100 -4.95500 23.27100
  3541. O 51.22600 -4.86200 23.19600
  3542. N 54.44900 -1.68300 19.27500
  3543. C 54.33300 -0.22500 19.24500
  3544. C 53.81600 0.22900 17.90200
  3545. O 52.76300 0.85600 17.81800
  3546. C 55.66900 0.41100 19.52000
  3547. N 54.56000 -0.10200 16.85400
  3548. C 54.17500 0.19500 15.47700
  3549. C 52.70500 -0.16000 15.20300
  3550. O 51.94300 0.66900 14.71300
  3551. C 55.12800 -0.53700 14.49100
  3552. O 56.44300 0.01700 14.62100
  3553. C 54.68700 -0.37400 13.06000
  3554. N 52.31700 -1.38700 15.53900
  3555. C 50.93600 -1.87000 15.40100
  3556. C 49.94300 -1.01800 16.19800
  3557. O 48.90800 -0.61000 15.67700
  3558. C 50.88200 -3.31400 15.86700
  3559. C 49.50900 -3.91300 15.98500
  3560. S 48.84800 -4.30200 14.36100
  3561. C 50.30000 -4.96600 13.51500
  3562. N 50.26500 -0.73100 17.46200
  3563. C 49.39300 0.10400 18.30300
  3564. C 49.27400 1.50900 17.75400
  3565. O 48.18100 2.09200 17.72900
  3566. C 49.87500 0.14700 19.76200
  3567. C 49.78500 -1.21900 20.45800
  3568. C 50.14300 -1.19900 21.95000
  3569. C 49.03200 -0.63900 22.78200
  3570. N 49.18500 -1.04600 24.22000
  3571. N 50.39800 2.05800 17.31100
  3572. C 50.39800 3.41200 16.78400
  3573. C 49.54800 3.44000 15.51800
  3574. O 48.71700 4.32900 15.33200
  3575. C 51.81300 3.87000 16.49900
  3576. N 49.73400 2.45100 14.65300
  3577. C 48.94300 2.38800 13.43700
  3578. C 47.46800 2.20500 13.75900
  3579. O 46.62500 2.90800 13.23300
  3580. C 49.39800 1.24000 12.53300
  3581. C 48.66900 1.22200 11.21700
  3582. C 49.14300 1.96100 10.13300
  3583. C 47.48600 0.50200 11.05800
  3584. C 48.47600 1.96200 8.92700
  3585. C 46.80500 0.51200 9.85100
  3586. C 47.30600 1.24300 8.79200
  3587. O 46.65000 1.25300 7.58200
  3588. N 47.16200 1.24800 14.62400
  3589. C 45.78100 0.89200 14.90000
  3590. C 44.98000 2.08600 15.38400
  3591. O 43.76100 2.11300 15.24400
  3592. C 45.71900 -0.25200 15.91900
  3593. N 45.66900 3.08600 15.92700
  3594. C 45.00800 4.25000 16.53900
  3595. C 44.96300 5.48200 15.63000
  3596. O 44.27100 6.45300 15.93000
  3597. C 45.68600 4.64500 17.87100
  3598. C 45.61100 3.50400 18.88800
  3599. C 45.05700 5.87700 18.44000
  3600. C 44.21900 3.09500 19.24100
  3601. N 45.69900 5.44900 14.52500
  3602. C 45.73300 6.60100 13.62400
  3603. C 46.96600 7.46300 13.80400
  3604. O 47.21500 8.37400 13.02600
  3605. N 47.77100 7.15500 14.81000
  3606. C 48.99500 7.91300 15.03000
  3607. C 49.95000 7.99100 13.81100
  3608. O 50.73400 8.93300 13.70900
  3609. C 49.72500 7.43000 16.29500
  3610. C 48.91200 7.32600 17.59900
  3611. C 49.85400 7.47700 18.80400
  3612. C 47.78700 8.37100 17.69600
  3613. N 49.89200 7.02800 12.89100
  3614. C 50.77400 7.08700 11.71600
  3615. C 50.08300 7.65200 10.48700
  3616. O 50.73400 7.86800 9.45800
  3617. C 51.39000 5.72500 11.37800
  3618. C 51.97400 4.96900 12.57900
  3619. C 52.58600 3.62300 12.15200
  3620. C 52.97600 5.83000 13.38200
  3621. N 48.77000 7.86600 10.58400
  3622. C 48.01300 8.51700 9.50600
  3623. C 48.49300 9.94800 9.33300
  3624. O 48.95500 10.37600 8.27100
  3625. C 46.51300 8.56200 9.81900
  3626. C 45.82100 7.22000 9.62700
  3627. O 46.41600 6.24300 9.15600
  3628. N 44.54700 7.17100 9.99300
  3629. O 48.40900 10.71300 10.29300
  3630. C 40.09400 11.02600 4.47500
  3631. C 39.84300 10.43100 3.11700
  3632. C 40.22800 11.47300 2.09200
  3633. C 40.00600 10.91900 0.69800
  3634. C 40.87200 11.66100 -0.29600
  3635. C 40.05900 12.75600 -0.96900
  3636. C 41.02100 13.69000 -1.71100
  3637. C 40.27100 14.90500 -2.23400
  3638. C 40.70700 16.03900 -1.33800
  3639. C 39.87800 17.26700 -1.53600
  3640. O 39.88100 17.84700 -2.60800
  3641. C 39.10400 17.78400 -0.36900
  3642. C 38.76300 19.23800 -0.56700
  3643. O 37.77900 19.50300 -1.21600
  3644. N 39.54100 20.16600 -0.02500
  3645. C 39.17700 21.52900 -0.28400
  3646. C 39.20400 22.44400 0.93800
  3647. C 39.78800 23.79500 0.49100
  3648. C 40.14100 22.21700 -1.17200
  3649. O 40.58200 21.74700 -2.18600
  3650. O 40.48600 23.52000 -0.71000
  3651. Na 31.86900 -1.55400 29.69700
  3652. C 31.08100 -3.88800 16.10900
  3653. C 31.59200 -5.21100 16.62800
  3654. C 30.97200 -5.53300 17.97900
  3655. C 31.38600 -4.49900 19.01800
  3656. C 31.03200 -4.95500 20.42700
  3657. C 29.55000 -5.29300 20.54800
  3658. C 29.29500 -6.10900 21.81000
  3659. C 27.80800 -6.33800 22.03000
  3660. C 27.48700 -7.82600 22.06300
  3661. C 26.05700 -8.01100 21.62400
  3662. O 25.15100 -7.80300 22.41200
  3663. C 25.76100 -8.44100 20.20900
  3664. C 24.29400 -8.25600 19.92100
  3665. O 23.78300 -7.14800 19.99600
  3666. N 23.62100 -9.35500 19.59500
  3667. C 22.47000 -9.79800 20.35900
  3668. C 21.36900 -10.29700 19.42600
  3669. C 21.09600 -11.78000 19.70800
  3670. C 22.75900 -11.00900 21.17700
  3671. O 23.54400 -11.04700 22.10600
  3672. O 21.99100 -12.15300 20.75300
  3673. O 43.98300 25.50900 8.34600
  3674. O 36.52800 15.22200 -0.95300
  3675. O 19.56100 27.43400 8.89300
  3676. O 43.63400 4.35100 3.62400
  3677. O 17.42700 18.77100 -1.99500
  3678. O 30.01300 27.22000 4.97600
  3679. O 50.29500 -21.71600 4.87000
  3680. O 41.57900 18.77200 -4.77200
  3681. O 40.97800 18.87300 -7.18300
  3682. O 42.86900 -6.28700 10.59700
  3683. O 37.15000 16.79400 -14.05400
  3684. O 41.91200 -3.12500 10.65800
  3685. O 38.10700 -4.70400 5.34500
  3686. O 39.15200 -12.64200 -6.98900
  3687. O 57.09700 -13.91400 14.18300
  3688. O 48.16400 3.55100 5.46100
  3689. O 29.24700 21.48200 23.62100
  3690. O 55.22900 13.73600 23.78600
  3691. O 35.27800 -2.46400 30.75600
  3692. O 39.52900 -2.96400 8.85800
  3693. end
  3694.  
  3695. basis
  3696. * library 6-31G*
  3697. end
  3698.  
  3699. scf
  3700. vectors output QscR.movecs
  3701. end
  3702. dplot
  3703. TITLE HOMO
  3704. vectors QscR.movecs
  3705. LimitXYZ
  3706. -31.0 77.0 20
  3707. -31.0 77.0 20
  3708. -31.0 77.0 20
  3709. spin total
  3710. gaussian
  3711. output QscR.cube
  3712. end
  3713. task scf
  3714. task dplot
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