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12.pdb
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12.pdb
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REMARK 0 Title: BOSS Z-Matrix
REMARK 1 Creator: XChemEdit/AUTOZMAT
REMARK 2 WL Jorgensen Group, Dept. of Chemistry, Yale University
HETATM 1 C00 UNK A 1 1.0000 1.0000 0.0000 0.00 0.00 0
HETATM 2 O01 UNK A 1 -0.4174 1.0000 0.0000 0.00 0.00 0
HETATM 3 H02 UNK A 1 1.4096 0.8425 -0.9988 0.00 0.00 0
HETATM 4 H03 UNK A 1 1.3878 0.2141 0.6508 0.00 0.00 0
HETATM 5 H04 UNK A 1 1.3693 1.9566 0.3673 0.00 0.00 0
HETATM 6 C05 UNK A 1 -0.9344 -0.1936 -0.4099 0.00 0.00 0
HETATM 7 C06 UNK A 1 -1.7644 -1.0220 0.2946 0.00 0.00 0
HETATM 8 O07 UNK A 1 -0.6434 -0.6100 -1.6568 0.00 0.00 0
HETATM 9 C08 UNK A 1 -2.0018 -2.1193 -0.6037 0.00 0.00 0
HETATM 10 H09 UNK A 1 -2.1347 -0.8629 1.2958 0.00 0.00 0
HETATM 11 C0A UNK A 1 -1.2706 -1.8000 -1.7163 0.00 0.00 0
HETATM 12 H0B UNK A 1 -2.6056 -3.0024 -0.4601 0.00 0.00 0
HETATM 13 O0C UNK A 1 -1.2202 -2.4862 -2.8954 0.00 0.00 0
HETATM 14 C0D UNK A 1 -0.0416 -2.8224 -3.5266 0.00 0.00 0
HETATM 15 C0E UNK A 1 1.2365 -2.9242 -2.9087 0.00 0.00 0
HETATM 16 C0F UNK A 1 -0.1513 -3.1019 -4.9045 0.00 0.00 0
HETATM 17 C0G UNK A 1 2.3590 -3.2654 -3.6870 0.00 0.00 0
HETATM 18 C0H UNK A 1 1.4661 -2.7242 -1.4860 0.00 0.00 0
HETATM 19 C0I UNK A 1 2.2328 -3.5212 -5.0650 0.00 0.00 0
HETATM 20 H0J UNK A 1 3.3256 -3.3370 -3.2098 0.00 0.00 0
HETATM 21 C0K UNK A 1 0.9702 -3.4628 -5.6842 0.00 0.00 0
HETATM 22 H0M UNK A 1 3.1152 -3.7829 -5.6298 0.00 0.00 0
HETATM 23 N0N UNK A 1 0.9053 -3.6966 -7.0564 0.00 0.00 0
HETATM 24 C0O UNK A 1 -0.1982 -4.1935 -7.7356 0.00 0.00 0
HETATM 25 H0P UNK A 1 1.7310 -3.5403 -7.6120 0.00 0.00 0
HETATM 26 S0Q UNK A 1 -0.2436 -4.2058 -9.4837 0.00 0.00 0
HETATM 27 N0R UNK A 1 -1.2824 -4.7449 -7.1740 0.00 0.00 0
HETATM 28 C0S UNK A 1 -1.7935 -4.9542 -9.3846 0.00 0.00 0
HETATM 29 C0T UNK A 1 -2.1661 -5.1557 -8.0791 0.00 0.00 0
HETATM 30 H0U UNK A 1 -2.3419 -5.2072-10.2794 0.00 0.00 0
HETATM 31 H0V UNK A 1 -3.0786 -5.6075 -7.7142 0.00 0.00 0
HETATM 32 H0W UNK A 1 -1.1262 -3.0142 -5.3580 0.00 0.00 0
HETATM 33 N0X UNK A 1 1.6489 -2.5651 -0.3539 0.00 0.00 0
TER
CONECT 1 2 3 4 5 0 0 0 0 0 0
CONECT 2 1 6 0 0 0 0 0 0 0 0
CONECT 3 1 0 0 0 0 0 0 0 0 0
CONECT 4 1 0 0 0 0 0 0 0 0 0
CONECT 5 1 0 0 0 0 0 0 0 0 0
CONECT 6 2 7 8 0 0 0 0 0 0 0
CONECT 7 6 9 10 0 0 0 0 0 0 0
CONECT 8 6 11 0 0 0 0 0 0 0 0
CONECT 9 7 11 12 0 0 0 0 0 0 0
CONECT 10 7 0 0 0 0 0 0 0 0 0
CONECT 11 8 9 13 0 0 0 0 0 0 0
CONECT 12 9 0 0 0 0 0 0 0 0 0
CONECT 13 11 14 0 0 0 0 0 0 0 0
CONECT 14 13 15 16 0 0 0 0 0 0 0
CONECT 15 14 17 18 0 0 0 0 0 0 0
CONECT 16 14 21 32 0 0 0 0 0 0 0
CONECT 17 15 19 20 0 0 0 0 0 0 0
CONECT 18 15 33 0 0 0 0 0 0 0 0
CONECT 19 17 21 22 0 0 0 0 0 0 0
CONECT 20 17 0 0 0 0 0 0 0 0 0
CONECT 21 16 19 23 0 0 0 0 0 0 0
CONECT 22 19 0 0 0 0 0 0 0 0 0
CONECT 23 21 24 25 0 0 0 0 0 0 0
CONECT 24 23 26 27 0 0 0 0 0 0 0
CONECT 25 23 0 0 0 0 0 0 0 0 0
CONECT 26 24 28 0 0 0 0 0 0 0 0
CONECT 27 24 29 0 0 0 0 0 0 0 0
CONECT 28 26 29 30 0 0 0 0 0 0 0
CONECT 29 27 28 31 0 0 0 0 0 0 0
CONECT 30 28 0 0 0 0 0 0 0 0 0
CONECT 31 29 0 0 0 0 0 0 0 0 0
CONECT 32 16 0 0 0 0 0 0 0 0 0
CONECT 33 18 0 0 0 0 0 0 0 0 0
ENDMDL
END