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- CRYST1 0.000 0.000 0.000 90.00 90.00 90.00 P 1 1
- ATOM 1 C1 ald X 1 0.643 2.009 0.274 0.00 0.25 1 C
- ATOM 2 C2 ald X 1 0.622 0.467 0.226 0.00 2.27 1 C
- ATOM 3 C3 ald X 1 -0.813 0.012 0.477 0.00 1.13 1 C
- ATOM 4 C4 ald X 1 -1.184 0.094 1.960 0.00 1.29 1 C
- ATOM 5 C5 ald X 1 -0.207 -0.766 2.733 0.00 1.34 1 C
- ATOM 6 O6 ald X 1 -0.578 -1.585 3.558 0.00 0.17 1 O
- ATOM 7 C7 ald X 1 1.216 -0.558 2.429 0.00 1.91 1 C
- ATOM 8 C8 ald X 1 1.596 -0.002 1.267 0.00 1.79 1 C
- ATOM 9 C9 ald X 1 3.077 0.215 1.027 0.00 1.31 1 C
- ATOM 10 C10 ald X 1 3.437 -0.347 -0.349 0.00 0.88 1 C
- ATOM 11 C11 ald X 1 2.557 0.285 -1.431 0.00 2.51 1 C
- ATOM 12 H12 ald X 1 2.657 1.365 -1.405 0.00 0.00 1 H
- ATOM 13 C13 ald X 1 2.976 -0.258 -2.794 0.00 32.01 1 C
- ATOM 14 H14 ald X 1 2.815 -1.339 -2.809 0.00 2.40 1 H
- ATOM 15 C15 ald X 1 4.402 0.069 -3.263 0.00 15.18 1 C
- ATOM 16 C16 ald X 1 4.324 -0.126 -4.802 0.00 3.28 1 C
- ATOM 17 C17 ald X 1 2.833 0.040 -5.196 0.00 23.23 1 C
- ATOM 18 H18 ald X 1 2.443 -0.907 -5.576 0.00 3.13 1 H
- ATOM 19 C19 ald X 1 2.659 1.125 -6.239 0.00 25.52 1 C
- ATOM 20 O20 ald X 1 3.471 2.021 -6.347 0.00 19.31 1 O
- ATOM 21 C21 ald X 1 1.452 1.078 -7.145 0.00 6.93 1 C
- ATOM 22 O22 ald X 1 1.495 2.189 -8.034 0.00 5.84 1 O
- ATOM 23 C23 ald X 1 2.102 0.412 -3.895 0.00 50.89 1 C
- ATOM 24 C24 ald X 1 2.109 1.929 -3.763 0.00 52.19 1 C
- ATOM 25 O25 ald X 1 3.001 2.540 -3.213 0.00 17.48 1 O
- ATOM 26 C26 ald X 1 0.688 -0.131 -3.725 0.00 7.35 1 C
- ATOM 27 C27 ald X 1 0.146 0.328 -2.356 0.00 2.57 1 C
- ATOM 28 H28 ald X 1 -0.852 -0.092 -2.209 0.00 0.30 1 H
- ATOM 29 O29 ald X 1 0.045 1.750 -2.377 0.00 0.31 1 O
- ATOM 30 C30 ald X 1 1.061 -0.065 -1.175 0.00 1.68 1 C
- ATOM 31 H31 ald X 1 1.060 -1.158 -1.115 0.00 0.03 1 H
- ATOM 32 H32 ald X 1 1.547 2.396 -0.192 0.00 0.00 1 H
- ATOM 33 H33 ald X 1 -0.223 2.413 -0.240 0.00 0.00 1 H
- ATOM 34 H34 ald X 1 0.619 2.333 1.318 0.00 0.00 1 H
- ATOM 35 H35 ald X 1 -1.491 0.646 -0.096 0.00 0.00 1 H
- ATOM 36 H36 ald X 1 -0.925 -1.021 0.139 0.00 0.00 1 H
- ATOM 37 H37 ald X 1 -1.113 1.129 2.301 0.00 0.45 1 H
- ATOM 38 H38 ald X 1 -2.199 -0.276 2.116 0.00 0.45 1 H
- ATOM 39 H39 ald X 1 1.961 -0.875 3.147 0.00 0.10 1 H
- ATOM 40 H40 ald X 1 3.308 1.282 1.067 0.00 0.14 1 H
- ATOM 41 H41 ald X 1 3.648 -0.310 1.794 0.00 0.14 1 H
- ATOM 42 H42 ald X 1 4.485 -0.139 -0.573 0.00 0.00 1 H
- ATOM 43 H43 ald X 1 3.276 -1.428 -0.340 0.00 0.00 1 H
- ATOM 44 H44 ald X 1 4.661 1.095 -3.011 0.00 0.00 1 H
- ATOM 45 H45 ald X 1 5.125 -0.626 -2.829 0.00 0.00 1 H
- ATOM 46 H46 ald X 1 4.936 0.616 -5.313 0.00 0.15 1 H
- ATOM 47 H47 ald X 1 4.661 -1.131 -5.062 0.00 0.15 1 H
- ATOM 48 H48 ald X 1 1.463 0.143 -7.712 0.00 0.50 1 H
- ATOM 49 H49 ald X 1 0.542 1.119 -6.540 0.00 0.50 1 H
- ATOM 50 H50 ald X 1 0.740 2.204 -8.639 0.00 3.57 1 H
- ATOM 51 H51 ald X 1 1.292 2.487 -4.214 0.00 7.64 1 H
- ATOM 52 H52 ald X 1 0.044 0.246 -4.524 0.00 2.50 1 H
- ATOM 53 H53 ald X 1 0.710 -1.222 -3.751 0.00 2.50 1 H
- ATOM 54 H54 ald X 1 -0.549 2.068 -3.075 0.00 0.00 1 H
- END
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