@MOLECULE pyrimethamine 30 31 0 0 0 SMALL GASTEIGER @ATOM 1 CL 4.9044 0.1109 0.0562 Cl 1 UNL1111 -0.0975 2 N -3.1204 -0.9845 0.2635 N.ar 1 UNL1111 -0.5913 3 N -3.1044 1.4279 -0.0859 N.ar 1 UNL1111 -0.6357 4 N -1.1234 2.5914 -0.3030 N.pl3 1 UNL1111 -0.5907 5 N -5.1061 0.2469 0.1336 N.pl3 1 UNL1111 -0.5814 6 C -1.0180 0.1720 0.0608 C.ar 1 UNL1111 -0.4305 7 C -1.7752 -0.9999 0.2320 C.ar 1 UNL1111 0.3608 8 C -1.1354 -2.3513 0.3825 C.3 1 UNL1111 -0.2724 9 C 0.4382 0.1583 0.0551 C.ar 1 UNL1111 0.0523 10 C -1.7401 1.3865 -0.1056 C.ar 1 UNL1111 0.4962 11 C 1.1370 0.2690 -1.1525 C.ar 1 UNL1111 -0.1564 12 C 1.1347 0.0377 1.2633 C.ar 1 UNL1111 -0.1484 13 C -0.6985 -2.8650 -0.9900 C.3 1 UNL1111 -0.4223 14 C -3.7403 0.2331 0.1014 C.ar 1 UNL1111 0.5754 15 C 2.5296 0.2550 -1.1582 C.ar 1 UNL1111 -0.1633 16 C 2.5269 0.0224 1.2710 C.ar 1 UNL1111 -0.1617 17 C 3.1913 0.1309 0.0564 C.ar 1 UNL1111 0.0182 18 H -0.2676 -2.2901 1.0708 H 1 UNL1111 0.1590 19 H -1.8484 -3.0687 0.8457 H 1 UNL1111 0.1721 20 H 0.5851 0.3583 -2.0882 H 1 UNL1111 0.1669 21 H 0.5802 -0.0421 2.1983 H 1 UNL1111 0.1664 22 H -1.5591 -2.9783 -1.6622 H 1 UNL1111 0.1540 23 H -0.2091 -3.8416 -0.9063 H 1 UNL1111 0.1482 24 H 0.0105 -2.1786 -1.4703 H 1 UNL1111 0.1509 25 H 3.0792 0.3365 -2.0952 H 1 UNL1111 0.1712 26 H 3.0730 -0.0727 2.2089 H 1 UNL1111 0.1715 27 H -0.1288 2.6676 -0.2780 H 1 UNL1111 0.3174 28 H -1.6689 3.4272 -0.3836 H 1 UNL1111 0.3228 29 H -5.6112 -0.6057 0.2643 H 1 UNL1111 0.3250 30 H -5.6040 1.1042 0.0129 H 1 UNL1111 0.3232 @BOND 1 1 17 1 2 2 7 ar 3 2 14 ar 4 3 10 ar 5 3 14 ar 6 4 10 1 7 4 27 1 8 4 28 1 9 5 14 1 10 5 29 1 11 5 30 1 12 6 7 ar 13 6 9 1 14 6 10 ar 15 7 8 1 16 8 13 1 17 8 18 1 18 8 19 1 19 9 11 ar 20 9 12 ar 21 11 15 ar 22 11 20 1 23 12 16 ar 24 12 21 1 25 13 22 1 26 13 23 1 27 13 24 1 28 15 17 ar 29 15 25 1 30 16 17 ar 31 16 26 1