@MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4470 0.5910 0.0000 C.2 1 MOL1 -0.0885 2 H -3.8840 -0.3420 0.0000 H 1 MOL1 0.0542 3 H -5.5350 0.5240 0.0000 H 1 MOL1 0.0542 4 C -3.8130 1.7750 0.0000 C.2 1 MOL1 0.0083 5 H -2.7220 1.8270 0.0000 H 1 MOL1 0.0727 6 C -4.4930 3.0290 0.0000 C.1 1 MOL1 0.0908 7 N -5.0240 4.0710 0.0000 N.1 1 MOL1 -0.1915 @BOND 1 1 2 1 2 1 3 1 3 1 4 2 4 4 5 1 5 4 6 1 6 6 7 3 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4610 0.6390 0.0210 C.2 1 MOL1 -0.0966 2 H -3.9370 -0.2680 -0.2610 H 1 MOL1 0.0535 3 H -5.5480 0.6100 0.1040 H 1 MOL1 0.0535 4 C -3.7720 1.7710 0.2030 C.2 1 MOL1 -0.0395 5 H -2.7140 1.8800 -0.0280 H 1 MOL1 0.0634 6 C -4.4590 3.0190 0.2930 C.2 1 MOL1 0.1126 7 N -5.0270 3.8240 -0.3330 N.2 1 MOL1 -0.1471 @BOND 1 7 6 2 2 2 1 1 3 5 4 1 4 1 3 1 5 1 4 2 6 4 6 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4780 0.6700 -0.0100 C.2 1 MOL1 -0.0966 2 H -3.9420 -0.2410 -0.2600 H 1 MOL1 0.0535 3 H -5.5620 0.6220 0.0970 H 1 MOL1 0.0535 4 C -3.7860 1.7880 0.1960 C.2 1 MOL1 -0.0395 5 H -2.7420 1.9250 -0.0720 H 1 MOL1 0.0634 6 C -4.4500 3.0750 0.4720 C.2 1 MOL1 0.1126 7 N -4.9570 3.6370 -0.4220 N.2 1 MOL1 -0.1471 @BOND 1 7 6 2 2 2 1 1 3 5 4 1 4 1 3 1 5 1 4 2 6 4 6 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4900 0.6860 -0.0340 C.2 1 MOL1 -0.1007 2 H -3.9400 -0.2320 -0.2380 H 1 MOL1 0.0532 3 H -5.5720 0.6250 0.0830 H 1 MOL1 0.0532 4 C -3.8110 1.8160 0.1430 C.2 1 MOL1 -0.0638 5 H -2.7610 1.9510 -0.1000 H 1 MOL1 0.0587 6 C -4.4600 3.1450 0.5990 C.3 1 MOL1 0.1262 7 N -4.8840 3.4830 -0.4540 N.3 1 MOL1 -0.1269 @BOND 1 7 6 1 2 2 1 1 3 5 4 1 4 1 3 1 5 1 4 2 6 4 6 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4980 0.6960 -0.0470 C.2 1 MOL1 -0.1007 2 H -3.9370 -0.2260 -0.2110 H 1 MOL1 0.0532 3 H -5.5790 0.6280 0.0670 H 1 MOL1 0.0532 4 C -3.8420 1.8560 0.0680 C.2 1 MOL1 -0.0638 5 H -2.7780 1.9700 -0.1250 H 1 MOL1 0.0587 6 C -4.4850 3.2130 0.7010 C.3 1 MOL1 0.1262 7 N -4.7980 3.3370 -0.4540 N.3 1 MOL1 -0.1269 @BOND 1 7 6 1 2 2 1 1 3 5 4 1 4 1 3 1 5 1 4 2 6 4 6 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.5000 0.6980 -0.0480 C.3 1 MOL1 -0.0477 2 H -3.9360 -0.2260 -0.1930 H 1 MOL1 0.0269 3 H -5.5820 0.6290 0.0580 H 1 MOL1 0.0269 4 C -3.8570 1.8700 0.0130 C.3 1 MOL1 -0.0112 5 H -2.7850 1.9770 -0.1360 H 1 MOL1 0.0324 6 C -4.5100 3.2540 0.7470 C.3 1 MOL1 0.1044 7 N -4.7490 3.2730 -0.4400 N.3 1 MOL1 -0.1317 @BOND 1 7 6 1 2 2 1 1 3 5 4 1 4 1 4 1 5 1 3 1 6 4 6 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4980 0.6860 -0.0570 C.2 1 MOL1 -0.0833 2 H -3.9310 -0.2390 -0.1410 H 1 MOL1 0.0548 3 H -5.5800 0.6260 0.0370 H 1 MOL1 0.0548 4 C -3.8670 1.8540 -0.1440 C.2 1 MOL1 0.0052 5 H -2.7870 1.9660 -0.1820 H 1 MOL1 0.0791 6 C -4.6360 3.4210 0.8360 C.3 1 MOL1 0.1347 7 N -4.6200 3.1610 -0.3470 N.pl3 1 MOL1 -0.2452 @BOND 1 7 4 1 2 7 6 1 3 5 4 1 4 4 1 2 5 2 1 1 6 1 3 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4950 0.6690 -0.0790 C.2 1 MOL1 -0.0833 2 H -3.9280 -0.2570 -0.1180 H 1 MOL1 0.0548 3 H -5.5770 0.6220 0.0220 H 1 MOL1 0.0548 4 C -3.8560 1.8240 -0.2120 C.2 1 MOL1 0.0052 5 H -2.7770 1.9440 -0.2290 H 1 MOL1 0.0791 6 C -4.7330 3.5730 0.8520 C.3 1 MOL1 0.1347 7 N -4.5520 3.1000 -0.2360 N.pl3 1 MOL1 -0.2452 @BOND 1 7 4 1 2 7 6 1 3 5 4 1 4 4 1 2 5 2 1 1 6 1 3 1 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4880 0.6450 -0.1140 C.2 1 MOL1 -0.0805 2 H -3.9270 -0.2840 -0.1200 H 1 MOL1 0.0550 3 H -5.5700 0.6110 0.0100 H 1 MOL1 0.0550 4 C -3.8430 1.8020 -0.2270 C.2 1 MOL1 0.0213 5 H -2.7620 1.9090 -0.2900 H 1 MOL1 0.0824 6 C -4.8310 3.7590 0.8120 C.2 1 MOL1 0.1186 7 N -4.4970 3.0330 -0.0700 N.2 1 MOL1 -0.2517 @BOND 1 5 4 1 2 4 1 2 3 4 7 1 4 2 1 1 5 1 3 1 6 7 6 2 @MOLECULE images.pdb 7 6 0 0 0 SMALL GASTEIGER @ATOM 1 C -4.4780 0.6050 -0.1170 C.2 1 MOL1 -0.0677 2 H -3.9420 -0.3050 -0.3800 H 1 MOL1 0.0560 3 H -5.5420 0.5310 0.1070 H 1 MOL1 0.0560 4 C -3.8310 1.7760 -0.0770 C.2 1 MOL1 0.0829 5 H -2.7670 1.8640 -0.2990 H 1 MOL1 0.0973 6 C -4.9150 4.0280 0.5190 C.1 1 MOL1 0.1341 7 N -4.4430 2.9750 0.2480 N.1 1 MOL1 -0.3586 @BOND 1 2 1 1 2 5 4 1 3 1 4 2 4 1 3 1 5 4 7 1 6 7 6 3