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- REMARK 888
- REMARK 888 WRITTEN BY MAESTRO (A PRODUCT OF SCHRODINGER, LLC)
- TITLE curcumin
- MODEL 1
- HETATM 1 O1 UNK 900 0.937 -2.280 -1.033 1.00 0.00 O
- HETATM 2 C1 UNK 900 1.259 -1.277 -1.670 1.00 0.00 C
- HETATM 3 C2 UNK 900 2.527 -0.553 -1.467 1.00 0.00 C
- HETATM 4 C3 UNK 900 3.431 -0.950 -0.550 1.00 0.00 C
- HETATM 5 C4 UNK 900 4.723 -0.302 -0.262 1.00 0.00 C
- HETATM 6 C5 UNK 900 5.161 0.857 -0.937 1.00 0.00 C
- HETATM 7 C6 UNK 900 6.404 1.434 -0.621 1.00 0.00 C
- HETATM 8 C7 UNK 900 7.234 0.870 0.368 1.00 0.00 C
- HETATM 9 O2 UNK 900 8.419 1.504 0.610 1.00 0.00 O
- HETATM 10 C8 UNK 900 6.811 -0.305 1.059 1.00 0.00 C
- HETATM 11 O3 UNK 900 7.494 -0.986 2.049 1.00 0.00 O
- HETATM 12 C9 UNK 900 8.799 -0.591 2.440 1.00 0.00 C
- HETATM 13 C10 UNK 900 5.558 -0.863 0.726 1.00 0.00 C
- HETATM 14 C11 UNK 900 0.304 -0.747 -2.740 1.00 0.00 C
- HETATM 15 C12 UNK 900 -0.505 0.420 -2.172 1.00 0.00 C
- HETATM 16 O4 UNK 900 -0.155 1.570 -2.439 1.00 0.00 O
- HETATM 17 C13 UNK 900 -1.674 0.096 -1.335 1.00 0.00 C
- HETATM 18 C14 UNK 900 -2.449 1.059 -0.797 1.00 0.00 C
- HETATM 19 C15 UNK 900 -3.635 0.854 0.056 1.00 0.00 C
- HETATM 20 C16 UNK 900 -4.091 -0.431 0.435 1.00 0.00 C
- HETATM 21 C17 UNK 900 -5.239 -0.586 1.255 1.00 0.00 C
- HETATM 22 O5 UNK 900 -5.737 -1.807 1.662 1.00 0.00 O
- HETATM 23 C18 UNK 900 -5.065 -2.984 1.240 1.00 0.00 C
- HETATM 24 C19 UNK 900 -5.925 0.567 1.691 1.00 0.00 C
- HETATM 25 O6 UNK 900 -7.031 0.442 2.480 1.00 0.00 O
- HETATM 26 C20 UNK 900 -5.480 1.848 1.319 1.00 0.00 C
- HETATM 27 C21 UNK 900 -4.341 1.989 0.506 1.00 0.00 C
- HETATM 28 H1 UNK 900 2.699 0.313 -2.087 1.00 0.00 H
- HETATM 29 H2 UNK 900 3.212 -1.824 0.048 1.00 0.00 H
- HETATM 30 H3 UNK 900 4.557 1.324 -1.700 1.00 0.00 H
- HETATM 31 H4 UNK 900 6.718 2.323 -1.148 1.00 0.00 H
- HETATM 32 H5 UNK 900 8.549 2.269 0.071 1.00 0.00 H
- HETATM 33 H6 UNK 900 9.170 -1.288 3.192 1.00 0.00 H
- HETATM 34 H7 UNK 900 9.496 -0.619 1.602 1.00 0.00 H
- HETATM 35 H8 UNK 900 8.798 0.401 2.893 1.00 0.00 H
- HETATM 36 H9 UNK 900 5.235 -1.751 1.250 1.00 0.00 H
- HETATM 37 H10 UNK 900 0.870 -0.418 -3.613 1.00 0.00 H
- HETATM 38 H11 UNK 900 -0.368 -1.541 -3.066 1.00 0.00 H
- HETATM 39 H12 UNK 900 -1.881 -0.951 -1.172 1.00 0.00 H
- HETATM 40 H13 UNK 900 -2.198 2.092 -0.992 1.00 0.00 H
- HETATM 41 H14 UNK 900 -3.554 -1.299 0.093 1.00 0.00 H
- HETATM 42 H15 UNK 900 -5.579 -3.856 1.644 1.00 0.00 H
- HETATM 43 H16 UNK 900 -5.065 -3.076 0.153 1.00 0.00 H
- HETATM 44 H17 UNK 900 -4.037 -3.010 1.605 1.00 0.00 H
- HETATM 45 H18 UNK 900 -7.233 -0.464 2.663 1.00 0.00 H
- HETATM 46 H19 UNK 900 -6.011 2.725 1.657 1.00 0.00 H
- HETATM 47 H20 UNK 900 -4.012 2.980 0.229 1.00 0.00 H
- CONECT 1 2
- CONECT 1 2
- CONECT 2 1 3 14
- CONECT 2 1
- CONECT 3 2 4 28
- CONECT 3 4
- CONECT 4 3 5 29
- CONECT 4 3
- CONECT 5 4 13 6
- CONECT 5 6
- CONECT 6 5 7 30
- CONECT 6 5
- CONECT 7 6 8 31
- CONECT 7 8
- CONECT 8 7 9 10
- CONECT 8 7
- CONECT 9 8 32
- CONECT 10 8 11 13
- CONECT 10 13
- CONECT 11 10 12
- CONECT 12 11 33 34 35
- CONECT 13 5 10 36
- CONECT 13 10
- CONECT 14 2 15 37 38
- CONECT 15 14 16 17
- CONECT 15 16
- CONECT 16 15
- CONECT 16 15
- CONECT 17 15 18 39
- CONECT 17 18
- CONECT 18 17 19 40
- CONECT 18 17
- CONECT 19 18 27 20
- CONECT 19 20
- CONECT 20 19 21 41
- CONECT 20 19
- CONECT 21 20 22 24
- CONECT 21 24
- CONECT 22 21 23
- CONECT 23 22 42 43 44
- CONECT 24 21 25 26
- CONECT 24 21
- CONECT 25 24 45
- CONECT 26 24 27 46
- CONECT 26 27
- CONECT 27 19 26 47
- CONECT 27 26
- CONECT 28 3
- CONECT 29 4
- CONECT 30 6
- CONECT 31 7
- CONECT 32 9
- CONECT 33 12
- CONECT 34 12
- CONECT 35 12
- CONECT 36 13
- CONECT 37 14
- CONECT 38 14
- CONECT 39 17
- CONECT 40 18
- CONECT 41 20
- CONECT 42 23
- CONECT 43 23
- CONECT 44 23
- CONECT 45 25
- CONECT 46 26
- CONECT 47 27
- ENDMDL
- END
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