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mjs.pdb
67 lines (67 loc) · 3.88 KB
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mjs.pdb
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HETATM 1 C1 UNL 1 -1.557 1.119 -2.361 1.00 0.00 C
HETATM 2 C2 UNL 1 -0.317 0.465 -2.351 1.00 0.00 C
HETATM 3 C3 UNL 1 -0.028 0.097 -1.043 1.00 0.00 C
HETATM 4 N1 UNL 1 -1.042 0.584 -0.220 1.00 0.00 N
HETATM 5 C4 UNL 1 -1.992 1.150 -1.061 1.00 0.00 C
HETATM 6 C5 UNL 1 -1.130 0.541 1.214 1.00 0.00 C
HETATM 7 C6 UNL 1 -0.456 -0.408 2.023 1.00 0.00 C
HETATM 8 C7 UNL 1 -0.619 -0.341 3.444 1.00 0.00 C
HETATM 9 C8 UNL 1 -1.409 0.619 4.066 1.00 0.00 C
HETATM 10 C9 UNL 1 -2.034 1.530 3.256 1.00 0.00 C
HETATM 11 C10 UNL 1 -1.905 1.503 1.881 1.00 0.00 C
HETATM 12 O1 UNL 1 -2.569 2.565 1.330 1.00 0.00 O
HETATM 13 C11 UNL 1 -3.156 3.196 2.478 1.00 0.00 C
HETATM 14 O2 UNL 1 -2.807 2.552 3.712 1.00 0.00 O
HETATM 15 C12 UNL 1 0.440 -1.553 1.598 1.00 0.00 C
HETATM 16 N2 UNL 1 0.617 -1.824 0.186 1.00 0.00 N
HETATM 17 C13 UNL 1 1.145 -0.656 -0.509 1.00 0.00 C
HETATM 18 C14 UNL 1 2.149 -1.080 -1.588 1.00 0.00 C
HETATM 19 C15 UNL 1 3.378 -0.385 -1.712 1.00 0.00 C
HETATM 20 C16 UNL 1 4.316 -0.739 -2.688 1.00 0.00 C
HETATM 21 C17 UNL 1 4.004 -1.783 -3.530 1.00 0.00 C
HETATM 22 C18 UNL 1 2.814 -2.463 -3.429 1.00 0.00 C
HETATM 23 C19 UNL 1 1.870 -2.138 -2.478 1.00 0.00 C
HETATM 24 O3 UNL 1 2.701 -3.452 -4.355 1.00 0.00 O
HETATM 25 C20 UNL 1 3.954 -3.311 -5.056 1.00 0.00 C
HETATM 26 O4 UNL 1 4.791 -2.259 -4.532 1.00 0.00 O
HETATM 27 H1 UNL 1 -2.092 1.502 -3.220 1.00 0.00 H
HETATM 28 H2 UNL 1 0.296 0.254 -3.218 1.00 0.00 H
HETATM 29 H3 UNL 1 -2.930 1.518 -0.675 1.00 0.00 H
HETATM 30 H4 UNL 1 -0.112 -1.070 4.078 1.00 0.00 H
HETATM 31 H5 UNL 1 -1.518 0.655 5.144 1.00 0.00 H
HETATM 32 H6 UNL 1 -4.247 3.184 2.368 1.00 0.00 H
HETATM 33 H7 UNL 1 -2.820 4.239 2.517 1.00 0.00 H
HETATM 34 H8 UNL 1 0.026 -2.471 2.037 1.00 0.00 H
HETATM 35 H9 UNL 1 1.427 -1.405 2.058 1.00 0.00 H
HETATM 36 H10 UNL 1 1.288 -2.585 0.101 1.00 0.00 H
HETATM 37 H11 UNL 1 1.699 -0.007 0.184 1.00 0.00 H
HETATM 38 H12 UNL 1 3.605 0.446 -1.046 1.00 0.00 H
HETATM 39 H13 UNL 1 5.256 -0.207 -2.785 1.00 0.00 H
HETATM 40 H14 UNL 1 0.930 -2.679 -2.430 1.00 0.00 H
HETATM 41 H15 UNL 1 3.745 -3.100 -6.111 1.00 0.00 H
HETATM 42 H16 UNL 1 4.501 -4.259 -4.989 1.00 0.00 H
CONECT 1 2 5 5 27
CONECT 2 3 3 28
CONECT 3 4 17
CONECT 4 5 6
CONECT 5 29
CONECT 6 7 7 11
CONECT 7 8 15
CONECT 8 9 9 30
CONECT 9 10 31
CONECT 10 11 11 14
CONECT 11 12
CONECT 12 13
CONECT 13 14 32 33
CONECT 15 16 34 35
CONECT 16 17 36
CONECT 17 18 37
CONECT 18 19 19 23
CONECT 19 20 38
CONECT 20 21 21 39
CONECT 21 22 26
CONECT 22 23 23 24
CONECT 23 40
CONECT 24 25
CONECT 25 26 41 42
END