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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 19 /
- REMARK 1 PDB: 10 11 12 13 14 15 16 17 18
- REMARK 1 MMOD: 23 24 25 26 30 31 32 33 34 /
- REMARK 1 PDB: 19 20 21 22 23 24 25 26 27
- REMARK 1 MMOD: 35 36 37 38 9 10 11 12 13 /
- REMARK 1 PDB: 28 29 30 31 32 33 34 35 36
- REMARK 1 MMOD: 14 15 16 17 18 20 21 22 27 /
- REMARK 1 PDB: 37 38 39 40 41 42 43
- REMARK 1 MMOD: 28 29 39 40 41 42 43 /
- HETATM 1 C01 UNK 0 -0.579 -1.681 0.616 0.00 0.00 0
- HETATM 2 C02 UNK 0 -1.566 0.560 -0.170 0.04 0.04 0
- HETATM 3 C03 UNK 0 -1.162 1.032 1.249 0.01 0.01 0
- HETATM 4 C04 UNK 0 -2.199 0.552 2.293 0.00 0.00 0
- HETATM 5 C05 UNK 0 -1.649 -0.811 2.760 0.00 0.00 0
- HETATM 6 C06 UNK 0 -0.340 -0.968 1.960 0.01 0.01 0
- HETATM 7 N07 UNK 0 0.044 0.417 1.782 0.19 0.19 0
- HETATM 8 C08 UNK 0 -1.653 -0.989 -0.246 0.07 0.07 0
- HETATM 9 C19 UNK 0 1.272 0.616 1.044 0.01 0.01 0
- HETATM 10 C23 UNK 0 -0.901 1.274 -1.354 0.38 0.38 0
- HETATM 11 O24 UNK 0 -0.195 2.368 -0.946 0.59 0.59 0
- HETATM 12 O25 UNK 0 -1.037 0.929 -2.512 -0.45 -0.45 0
- HETATM 13 C26 UNK 0 0.440 3.093 -1.986 0.07 0.07 0
- HETATM 14 O30 UNK 0 -1.609 -1.430 -1.593 0.59 0.59 0
- HETATM 15 C31 UNK 0 -1.789 -2.754 -1.882 0.42 0.42 0
- HETATM 16 O32 UNK 0 -2.125 -3.580 -1.053 -0.45 -0.45 0
- HETATM 17 C33 UNK 0 -1.523 -3.209 -3.279 0.00 0.00 0
- HETATM 18 C34 UNK 0 -0.997 -2.329 -4.230 0.00 0.00 0
- HETATM 19 C35 UNK 0 -0.765 -2.755 -5.540 0.00 0.00 0
- HETATM 20 C36 UNK 0 -1.059 -4.064 -5.914 0.00 0.00 0
- HETATM 21 C37 UNK 0 -1.581 -4.946 -4.971 0.00 0.00 0
- HETATM 22 C38 UNK 0 -1.813 -4.523 -3.662 0.00 0.00 0
- HETATM 23 H09 UNK 0 -0.884 -2.728 0.852 0.00 0.00 0
- HETATM 24 H10 UNK 0 0.374 -1.778 0.044 0.00 0.00 0
- HETATM 25 H11 UNK 0 -2.605 0.931 -0.328 0.00 0.00 0
- HETATM 26 H12 UNK 0 -1.090 2.146 1.298 0.00 0.00 0
- HETATM 27 H13 UNK 0 -2.229 1.262 3.154 0.00 0.00 0
- HETATM 28 H14 UNK 0 -3.233 0.480 1.883 0.00 0.00 0
- HETATM 29 H15 UNK 0 -1.434 -0.778 3.855 0.00 0.00 0
- HETATM 30 H16 UNK 0 -2.361 -1.651 2.584 0.00 0.00 0
- HETATM 31 H17 UNK 0 0.429 -1.522 2.552 0.00 0.00 0
- HETATM 32 H18 UNK 0 -2.651 -1.286 0.167 0.00 0.00 0
- HETATM 33 H20 UNK 0 1.203 0.272 -0.011 0.00 0.00 0
- HETATM 34 H21 UNK 0 1.546 1.695 1.056 0.00 0.00 0
- HETATM 35 H22 UNK 0 2.105 0.067 1.538 0.00 0.00 0
- HETATM 36 H27 UNK 0 1.178 3.787 -1.521 0.00 0.00 0
- HETATM 37 H28 UNK 0 0.992 2.401 -2.667 0.00 0.00 0
- HETATM 38 H29 UNK 0 -0.320 3.686 -2.550 0.00 0.00 0
- HETATM 39 H39 UNK 0 -0.751 -1.289 -3.968 0.00 0.00 0
- HETATM 40 H40 UNK 0 -0.350 -2.053 -6.284 0.00 0.00 0
- HETATM 41 H41 UNK 0 -0.880 -4.399 -6.951 0.00 0.00 0
- HETATM 42 H42 UNK 0 -1.815 -5.985 -5.264 0.00 0.00 0
- HETATM 43 H43 UNK 0 -2.228 -5.248 -2.942 0.00 0.00 0
- CONECT 1 6 8 23 24
- CONECT 2 3 8 25 10
- CONECT 3 2 4 7 26
- CONECT 4 3 5 27 28
- CONECT 5 4 6 29 30
- CONECT 6 5 1 7 31
- CONECT 7 6 3 9
- CONECT 8 2 1 32 14
- CONECT 9 7 33 34 35
- CONECT 10 11 2
- CONECT 10 12
- CONECT 10 12
- CONECT 11 10 13
- CONECT 12 10
- CONECT 12 10
- CONECT 13 11 36 37 38
- CONECT 14 8 15
- CONECT 15 14 17
- CONECT 15 16
- CONECT 15 16
- CONECT 16 15
- CONECT 16 15
- CONECT 17 22 15
- CONECT 17 18
- CONECT 17 18
- CONECT 18 19 39
- CONECT 18 17
- CONECT 18 17
- CONECT 19 18 40
- CONECT 19 20
- CONECT 19 20
- CONECT 20 21 41
- CONECT 20 19
- CONECT 20 19
- CONECT 21 20 42
- CONECT 21 22
- CONECT 21 22
- CONECT 22 17 43
- CONECT 22 21
- CONECT 22 21
- CONECT 23 1
- CONECT 24 1
- CONECT 25 2
- CONECT 26 3
- CONECT 27 4
- CONECT 28 4
- CONECT 29 5
- CONECT 30 5
- CONECT 31 6
- CONECT 32 8
- CONECT 33 9
- CONECT 34 9
- CONECT 35 9
- CONECT 36 13
- CONECT 37 13
- CONECT 38 13
- CONECT 39 18
- CONECT 40 19
- CONECT 41 20
- CONECT 42 21
- CONECT 43 22
- END
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