0 0 2 This is a remark line molecule.res NAP XYZ 0 CORRECT OMIT DU BEG 0.0000 1 DUMM DU M 0 -1 -2 0.000 .0 .0 .00000 2 DUMM DU M 1 0 -1 1.449 .0 .0 .00000 3 DUMM DU M 2 1 0 1.522 111.1 .0 .00000 4 NO1 o M 3 2 1 1.540 111.208 180.000 0.000 5 NP n4 M 4 3 2 1.461 24.890 -151.642 0.000 6 NO2 o E 5 4 3 1.481 121.926 -46.729 0.000 7 NO5* o E 5 4 3 1.573 109.211 85.288 0.000 8 O3 os M 5 4 3 1.575 105.874 -172.293 0.000 9 PA p5 M 8 5 4 1.601 125.170 102.248 0.000 10 O1A o E 9 8 5 1.483 106.155 2.503 0.000 11 O2A o E 9 8 5 1.475 113.230 -130.600 0.000 12 O5A* os M 9 8 5 1.584 99.396 118.857 0.000 13 C5A* c1 M 12 9 8 1.425 118.711 -126.018 0.000 14 C4A* ca M 13 12 9 1.532 113.056 -132.063 0.000 15 C3A* c B 14 13 12 1.506 118.033 57.919 0.000 16 O3A* o E 15 14 13 1.423 104.725 137.227 0.000 17 C2A* ca S 15 14 13 1.517 104.680 -104.207 0.000 18 O2A* os S 17 15 14 1.440 110.259 -155.257 0.000 19 P2A* p5 3 18 17 15 1.548 124.040 -117.470 0.000 20 OP1A o E 19 18 17 1.477 104.825 -97.613 0.000 21 OP2A o E 19 18 17 1.474 100.311 142.029 0.000 22 OP3A o E 19 18 17 1.481 102.868 24.585 0.000 23 O4A* os M 14 13 12 1.434 113.522 -64.353 0.000 24 C1A* ca M 23 14 13 1.427 110.454 132.966 0.000 25 N9A nh M 24 23 14 1.483 107.636 -156.036 0.000 26 C8A c1 M 25 24 23 1.347 132.361 117.917 0.000 27 N7A n2 M 26 25 24 1.355 110.910 169.016 0.000 28 C5A cd M 27 26 25 1.332 103.934 0.443 0.000 29 C6A cd M 28 27 26 1.384 126.765 -179.115 0.000 30 N6A n2 E 29 28 27 1.317 123.763 7.450 0.000 31 N1A n2 M 29 28 27 1.334 116.991 -178.399 0.000 32 C2A c1 M 31 29 28 1.336 120.538 0.197 0.000 33 N3A n2 M 32 31 29 1.328 123.718 -1.255 0.000 34 C4A cd M 33 32 31 1.350 118.285 0.835 0.000 LOOP C1A* C2A* C4A N9A C4A C5A IMPROPER C5A* C3A* C4A* O4A* C4A* C2A* C3A* O3A* C3A* C1A* C2A* O2A* C2A* N9A C1A* O4A* C8A C1A* N9A C4A C6A C4A C5A N7A N6A C5A C6A N1A C5A N3A C4A N9A DONE STOP