@MOLECULE sulfazecin 46 46 0 0 0 SMALL GASTEIGER @ATOM 1 S -3.1936 -0.2707 0.0393 S.O2 1 UNL111111111 2.5678 2 O 0.1247 -3.6016 0.3358 O.3 1 UNL111111111 -0.3672 3 O -0.8172 -1.7204 -1.9730 O.2 1 UNL111111111 -0.3448 4 O -4.3059 -1.3807 -0.4232 O.3 1 UNL111111111 -0.7965 5 O -3.0555 0.7055 -0.9942 O.2 1 UNL111111111 -0.8361 6 O -3.4828 0.1231 1.3891 O.2 1 UNL111111111 -0.9079 7 O 2.1771 -2.0341 -1.4740 O.2 1 UNL111111111 -0.4495 8 O 2.1514 0.9650 1.7300 O.2 1 UNL111111111 -0.5865 9 O 0.1693 1.7789 -1.4326 O.3 1 UNL111111111 -0.5844 10 OXT -0.8048 3.7896 -1.5751 O.2 1 UNL111111111 -0.4938 11 N -1.8023 -1.2754 0.1375 N.am 1 UNL111111111 -0.8786 12 N 1.3451 -1.5723 0.6071 N.am 1 UNL111111111 -0.6594 13 N 3.2430 0.7586 -0.2296 N.am 1 UNL111111111 -0.6043 14 N -1.3028 3.5608 1.2729 N.3 1 UNL111111111 -0.6252 15 C 0.0870 -2.2254 0.4276 C.3 1 UNL111111111 0.3415 16 C -1.0629 -1.6780 1.3649 C.3 1 UNL111111111 -0.1098 17 C -0.8257 -1.7403 -0.7947 C.2 1 UNL111111111 0.5817 18 C 2.2975 -1.4933 -0.4078 C.2 1 UNL111111111 0.5380 19 C 3.5393 -0.6544 -0.0038 C.3 1 UNL111111111 0.0279 20 C 0.9266 -4.2832 1.2873 C.3 1 UNL111111111 -0.1827 21 C 4.7193 -1.1022 -0.8651 C.3 1 UNL111111111 -0.4612 22 C 2.3614 2.9564 0.3604 C.3 1 UNL111111111 -0.3585 23 C 2.5320 1.4942 0.7016 C.2 1 UNL111111111 0.6189 24 C 1.1362 3.5686 1.0372 C.3 1 UNL111111111 -0.2611 25 CA -0.1775 2.8809 0.6221 C.3 1 UNL111111111 -0.0051 26 C -0.3313 2.9196 -0.8978 C.2 1 UNL111111111 0.5911 27 H -0.7956 -0.8444 2.0307 H 1 UNL111111111 0.1609 28 H -1.5733 -2.4635 1.9415 H 1 UNL111111111 0.1571 29 H 1.4477 -0.9368 1.4079 H 1 UNL111111111 0.3508 30 H 3.7694 -0.8133 1.0869 H 1 UNL111111111 0.1714 31 H 0.7002 -5.3349 1.0600 H 1 UNL111111111 0.1524 32 H 1.9888 -4.0801 1.1167 H 1 UNL111111111 0.1375 33 H 0.6346 -4.0286 2.3077 H 1 UNL111111111 0.1222 34 H 3.4622 1.1219 -1.1475 H 1 UNL111111111 0.3241 35 H 5.6328 -0.5449 -0.6309 H 1 UNL111111111 0.1578 36 H 4.5076 -0.9862 -1.9413 H 1 UNL111111111 0.1753 37 H 4.9306 -2.1728 -0.7120 H 1 UNL111111111 0.1687 38 H 2.3022 3.1105 -0.7389 H 1 UNL111111111 0.1729 39 H 3.2756 3.5004 0.6898 H 1 UNL111111111 0.1771 40 H -4.3890 -2.1750 0.1203 H 1 UNL111111111 0.3856 41 H 1.2237 3.4812 2.1451 H 1 UNL111111111 0.1820 42 H 1.0851 4.6554 0.8240 H 1 UNL111111111 0.1588 43 HA -0.1465 1.8104 0.9756 H 1 UNL111111111 0.1823 44 H1 -1.5462 4.4297 0.8207 H 1 UNL111111111 0.2659 45 H2 -2.1143 2.9607 1.2999 H 1 UNL111111111 0.2711 46 H -0.0688 1.6304 -2.3835 H 1 UNL111111111 0.3718 @BOND 1 1 4 1 2 1 5 2 3 1 6 2 4 1 11 1 5 2 15 1 6 2 20 1 7 3 17 2 8 4 40 1 9 7 18 2 10 8 23 2 11 9 26 1 12 9 46 1 13 10 26 2 14 11 16 1 15 11 17 am 16 12 15 1 17 12 18 am 18 12 29 1 19 13 19 1 20 13 23 am 21 13 34 1 22 14 25 1 23 14 44 1 24 14 45 1 25 15 16 1 26 15 17 1 27 16 27 1 28 16 28 1 29 18 19 1 30 19 21 1 31 19 30 1 32 20 31 1 33 20 32 1 34 20 33 1 35 21 35 1 36 21 36 1 37 21 37 1 38 22 23 1 39 22 24 1 40 22 38 1 41 22 39 1 42 24 25 1 43 24 41 1 44 24 42 1 45 25 26 1 46 25 43 1