0 0 2 This is a remark line molecule.res CSX INT 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 1.523 111.21 .0 .00000 4 N NT M 3 2 1 1.540 111.208 -180.000 -0.852675 5 OD O E 4 3 2 4.632 111.903 161.552 -0.461527 6 CB CT 3 5 4 3 2.680 24.327 -34.601 -0.064248 7 HA H1 E 6 5 4 2.184 76.662 8.851 0.131754 8 HB2 H1 E 6 5 4 1.096 82.575 -87.832 0.102698 9 CA CT M 4 3 2 1.464 99.274 -178.771 0.159013 10 SG DU B 9 4 3 2.777 147.750 -75.569 0.210151 11 O O E 10 9 4 4.076 35.795 102.873 -0.526435 12 HB3 H1 E 10 9 4 2.393 49.404 28.374 0.102698 13 H H X 9 4 3 2.121 24.500 -37.447 0.391247 14 C C M 9 4 3 1.516 106.288 45.049 0.624537 15 X 1 0 1 4.553 nan 2581.090 0.000000 LOOP IMPROPER C +M C N DONE STOP