@MOLECULE ***** 15 14 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.4730 0.1200 0.0420 C.2 1 UNL1 0.3226 2 O 2.1150 -0.7060 -0.5620 O.2 1 UNL1 -0.2492 3 CA 0.0340 -0.1560 0.3960 C.3 1 UNL1 0.1141 4 N -0.2140 -1.6030 0.3460 N.3 1 UNL1 -0.3177 5 C -0.8820 0.5540 -0.6030 C.3 1 UNL1 0.0344 6 C -2.2840 0.3850 -0.1890 C.1 1 UNL1 -0.1035 7 C -3.4030 0.2500 0.1420 C.1 1 UNL1 -0.1191 8 HA -0.1700 0.2130 1.4010 H 1 UNL1 0.0583 9 H1 -0.0320 -1.9690 -0.5760 H 1 UNL1 0.1190 10 H2 0.3320 -2.0880 1.0420 H 1 UNL1 0.1190 11 H -0.6370 1.6150 -0.6300 H 1 UNL1 0.0418 12 H -0.7420 0.1230 -1.5940 H 1 UNL1 0.0418 13 H -4.4030 0.1300 0.4380 H 1 UNL1 0.1228 14 OXT 2.0420 1.2800 0.4030 O.3 1 UNL1 -0.4795 15 HXT 2.9690 1.4100 0.1570 H 1 UNL1 0.2951 @BOND 1 7 6 3 2 6 5 1 3 5 3 1 4 4 3 1 5 3 1 1 6 1 2 2 7 3 8 1 8 4 9 1 9 4 10 1 10 5 11 1 11 5 12 1 12 7 13 1 13 1 14 1 14 14 15 1