@MOLECULE ***** 16 15 0 0 0 SMALL GASTEIGER @ATOM 1 N 1.8270 -0.4980 -1.2780 N.3 1 UNL1 -0.3184 2 CA 2.1450 -1.1620 -2.5170 C.3 1 UNL1 0.1030 3 C 1.5760 -0.4290 -3.7190 C.2 1 UNL1 0.3217 4 O 0.8500 0.5540 -3.6350 O.2 1 UNL1 -0.2493 5 C 1.7190 -2.6340 -2.4910 C.3 1 UNL1 -0.0302 6 C 0.2110 -2.8550 -2.4690 C.3 1 UNL1 -0.0634 7 OXT 1.9590 -0.9640 -4.9030 O.3 1 UNL1 -0.4795 8 H1 0.9000 -0.1310 -1.1450 H 1 UNL1 0.1190 9 H2 2.5760 -0.2330 -0.6600 H 1 UNL1 0.1190 10 HA 3.2360 -1.1080 -2.6080 H 1 UNL1 0.0574 11 H 2.1520 -3.1220 -1.6090 H 1 UNL1 0.0283 12 H 2.1320 -3.1460 -3.3700 H 1 UNL1 0.0283 13 H -0.2500 -2.3870 -1.5940 H 1 UNL1 0.0230 14 H -0.0070 -3.9270 -2.4270 H 1 UNL1 0.0230 15 H -0.2680 -2.4560 -3.3680 H 1 UNL1 0.0230 16 HXT 1.5870 -0.4710 -5.6650 H 1 UNL1 0.2951 @BOND 1 1 2 1 2 1 8 1 3 1 9 1 4 2 3 1 5 2 5 1 6 2 10 1 7 3 4 2 8 3 7 1 9 5 6 1 10 5 11 1 11 5 12 1 12 6 13 1 13 6 14 1 14 6 15 1 15 7 16 1