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- COMPND
- REMARK 1 PDB to MMOD atom-numbering translation table; the mmod numbers
- REMARK 1 pertain to the .dat file from which this file was created,
- REMARK 1 not to one created from this file:
- REMARK 1 PDB: 1 2 3 4 5 6 7 8 9
- REMARK 1 MMOD: 1 2 3 4 5 6 7 8 9 /
- REMARK 1 PDB: 10 11 12 13 14 15 16 17 18
- REMARK 1 MMOD: 10 11 23 12 13 14 15 16 17 /
- REMARK 1 PDB: 19 20 21 22 23 24
- REMARK 1 MMOD: 18 19 20 21 22 24 /
- HETATM 1 C01 UNK A 1 -10.447 3.465 0.000 0.00 0.00 0
- HETATM 2 C02 UNK A 1 -11.071 4.006 1.273 0.00 0.00 0
- HETATM 3 C03 UNK A 1 -12.577 4.148 1.128 0.00 0.00 0
- HETATM 4 C04 UNK A 1 -12.891 4.988 -0.105 0.00 0.00 0
- HETATM 5 C05 UNK A 1 -12.200 4.411 -1.349 0.00 0.00 0
- HETATM 6 O06 UNK A 1 -10.802 4.239 -1.130 0.00 0.00 0
- HETATM 7 O07 UNK A 1 -10.803 3.104 2.323 0.00 0.00 0
- HETATM 8 O08 UNK A 1 -13.072 4.770 2.296 0.00 0.00 0
- HETATM 9 O09 UNK A 1 -14.294 4.984 -0.281 0.00 0.00 0
- HETATM 10 C10 UNK A 1 -12.311 5.317 -2.577 0.00 0.00 0
- HETATM 11 O11 UNK A 1 -13.660 5.466 -2.961 0.00 0.00 0
- HETATM 12 O23 UNK A 1 -9.045 3.478 0.138 0.00 0.00 0
- HETATM 13 H12 UNK A 1 -9.995 3.339 2.755 0.00 0.00 0
- HETATM 14 H13 UNK A 1 -12.863 4.206 3.024 0.00 0.00 0
- HETATM 15 H14 UNK A 1 -13.704 6.000 -3.739 0.00 0.00 0
- HETATM 16 H15 UNK A 1 -10.793 2.419 -0.156 0.00 0.00 0
- HETATM 17 H16 UNK A 1 -10.626 4.997 1.513 0.00 0.00 0
- HETATM 18 H17 UNK A 1 -13.037 3.141 1.020 0.00 0.00 0
- HETATM 19 H18 UNK A 1 -12.542 6.032 0.061 0.00 0.00 0
- HETATM 20 H19 UNK A 1 -12.653 3.423 -1.588 0.00 0.00 0
- HETATM 21 H20 UNK A 1 -14.475 5.505 -1.044 0.00 0.00 0
- HETATM 22 H21 UNK A 1 -11.886 6.317 -2.335 0.00 0.00 0
- HETATM 23 H22 UNK A 1 -11.738 4.866 -3.418 0.00 0.00 0
- HETATM 24 H24 UNK A 1 -8.822 2.951 0.906 0.00 0.00 0
- CONECT 1 2 6 12 16
- CONECT 2 1 3 7 17
- CONECT 3 2 4 8 18
- CONECT 4 3 5 9 19
- CONECT 5 4 6 10 20
- CONECT 6 5 1
- CONECT 7 2 13
- CONECT 8 3 14
- CONECT 9 4 21
- CONECT 10 5 11 22 23
- CONECT 11 10 15
- CONECT 12 1 24
- CONECT 13 7
- CONECT 14 8
- CONECT 15 11
- CONECT 16 1
- CONECT 17 2
- CONECT 18 3
- CONECT 19 4
- CONECT 20 5
- CONECT 21 9
- CONECT 22 10
- CONECT 23 10
- CONECT 24 12
- END
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