0 0 2 This is a remark line molecule.res LIG 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 1.522 111.1 .0 .00000 4 N7 nh M 3 2 1 1.540 111.208 180.000 -0.493600 5 H2 hn E 4 3 2 1.003 20.227 -34.423 0.358600 6 H3 hn E 4 3 2 1.017 116.710 60.952 0.319600 7 C6 cz M 4 3 2 1.369 109.012 -161.019 0.505900 8 N6 nh B 7 4 3 1.364 119.201 -154.671 -0.514200 9 H4 hn E 8 7 4 0.997 121.055 -175.787 0.326700 10 H5 hn E 8 7 4 1.016 119.805 10.607 0.324000 11 N5 n M 7 4 3 1.416 122.628 30.991 -0.494100 12 H1 hn E 11 7 4 1.008 115.946 163.063 0.376300 13 C3 c M 11 7 4 1.405 125.581 -22.652 0.647700 14 O1 o E 13 11 7 1.248 119.770 6.304 -0.616700 15 C1 ca M 13 11 7 1.489 118.255 -173.004 0.040700 16 N1 nb M 15 13 11 1.359 118.311 -4.817 -0.581400 17 C5 ca M 16 15 13 1.322 119.847 -178.773 0.288200 18 Cl1 cl E 17 16 15 1.714 119.103 176.928 -0.114700 19 C4 ca M 17 16 15 1.468 121.899 -1.999 0.686800 20 N2 nh B 19 17 16 1.376 120.194 -175.605 -0.923400 21 H8 hn E 20 19 17 0.996 116.545 -21.437 0.465900 22 H9 hn E 20 19 17 0.997 118.282 -166.246 0.469600 23 N3 nb M 19 17 16 1.354 119.346 0.998 -0.814500 24 C2 ca M 23 19 17 1.385 118.956 1.791 0.725400 25 N4 nh M 24 23 19 1.359 116.594 177.455 -0.923300 26 H6 hn E 25 24 23 0.998 120.625 -3.028 0.466500 27 H7 hn E 25 24 23 0.996 120.511 -174.390 0.474200 LOOP C2 C1 IMPROPER N5 N7 C6 N6 C3 C6 N5 H1 C1 N5 C3 O1 C3 C2 C1 N1 C4 Cl1 C5 N1 C5 N3 C4 N2 C4 H8 N2 H9 C1 N3 C2 N4 C2 H6 N4 H7 DONE STOP