@MOLECULE ***** 21 20 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.4830 1.1250 -0.7430 N.3 1 UNL1 -0.3271 2 C -2.4580 0.0670 0.2750 C.3 1 UNL1 0.0087 3 C -3.8000 -0.6680 0.2800 C.3 1 UNL1 -0.0495 4 C 2.4500 -0.0710 -0.0160 C.2 1 UNL1 0.3119 5 O 2.2760 1.0830 0.2990 O.2 1 UNL1 -0.2505 6 O 3.6950 -0.5350 -0.2040 O.3 1 UNL1 -0.4803 7 C -1.3360 -0.9230 -0.0460 C.3 1 UNL1 0.0213 8 C -0.0040 -0.2280 0.0690 C.2 1 UNL1 0.1454 9 C 1.2690 -0.9880 -0.1990 C.3 1 UNL1 0.1031 10 O 0.0430 0.9390 0.3770 O.2 1 UNL1 -0.2968 11 H -1.6320 1.6670 -0.7230 H 1 UNL1 0.1185 12 H -2.6440 0.7400 -1.6620 H 1 UNL1 0.1185 13 H -2.2830 0.5090 1.2550 H 1 UNL1 0.0459 14 H -3.9760 -1.1100 -0.7010 H 1 UNL1 0.0245 15 H -3.7820 -1.4530 1.0350 H 1 UNL1 0.0245 16 H -4.5990 0.0370 0.5080 H 1 UNL1 0.0245 17 H -1.3740 -1.7550 0.6570 H 1 UNL1 0.0357 18 H -1.4630 -1.2990 -1.0610 H 1 UNL1 0.0357 19 H 1.2570 -1.3670 -1.2200 H 1 UNL1 0.0455 20 H 1.3460 -1.8230 0.4980 H 1 UNL1 0.0455 21 H 4.4210 0.0910 -0.0750 H 1 UNL1 0.2951 @BOND 1 1 2 1 2 2 3 1 3 2 7 1 4 4 6 1 5 4 5 2 6 4 9 1 7 7 8 1 8 8 10 2 9 8 9 1 10 6 21 1 11 1 11 1 12 1 12 1 13 2 13 1 14 3 14 1 15 3 15 1 16 3 16 1 17 7 17 1 18 7 18 1 19 9 19 1 20 9 20 1