@MOLECULE RY 37 38 0 0 0 SMALL GASTEIGER @ATOM 1 P -4.0670 -1.0710 0.0480 P.3 1 UNL1 0.4724 2 C -2.1300 0.7260 -0.3520 C.3 1 UNL1 0.0878 3 O -2.7980 -0.1950 0.5120 O.3 1 UNL1 -0.2841 4 C -0.9740 1.3870 0.4020 C.3 1 UNL1 0.1132 5 O 0.0330 0.4070 0.7090 O.3 1 UNL1 -0.3477 6 C -0.3140 2.4590 -0.4860 C.3 1 UNL1 0.1133 7 O -0.3980 3.7430 0.1350 O.3 1 UNL1 -0.3864 8 C 1.1620 2.0060 -0.5950 C.3 1 UNL1 0.1264 9 O 2.0470 3.1230 -0.5020 O.3 1 UNL1 -0.3849 10 C 1.3090 1.0780 0.6380 C.3 1 UNL1 0.1593 11 N 2.3900 0.1110 0.4300 N.am 1 UNL1 -0.2330 12 C 2.3030 -0.8230 -0.5380 C.2 1 UNL1 0.3966 13 O 1.3110 -0.8530 -1.2420 O.2 1 UNL1 -0.2235 14 N 3.2760 -1.7180 -0.7480 N.am 1 UNL1 -0.1588 15 C 4.4430 -1.7650 -0.0010 C.2 1 UNL1 0.2590 16 N 5.4020 -2.7300 -0.2890 N.pl3 1 UNL1 -0.2514 17 C 4.6610 -0.9010 0.9890 C.2 1 UNL1 0.0181 18 C 3.5980 0.1400 1.2700 C.3 1 UNL1 0.0463 19 O -3.7170 -1.8400 -1.1670 O.2 1 UNL1 -0.2275 20 O -4.4770 -2.0870 1.2270 O.3 1 UNL1 -0.3026 21 O -5.3050 -0.0930 -0.2730 O.3 1 UNL1 -0.3026 22 H -1.7400 0.1930 -1.2200 H 1 UNL1 0.0592 23 H -2.8330 1.4910 -0.6810 H 1 UNL1 0.0592 24 H -1.3430 1.8400 1.3220 H 1 UNL1 0.0647 25 H -0.7810 2.4790 -1.4710 H 1 UNL1 0.0647 26 H 0.0020 4.4570 -0.3810 H 1 UNL1 0.2100 27 H 1.3320 1.4530 -1.5200 H 1 UNL1 0.0663 28 H 1.9300 3.7780 -1.2040 H 1 UNL1 0.2101 29 H 1.4850 1.6640 1.5400 H 1 UNL1 0.0838 30 H 3.1590 -2.3670 -1.4590 H 1 UNL1 0.3027 31 H 5.2510 -3.3630 -1.0090 H 1 UNL1 0.2881 32 H 6.2210 -2.7700 0.2290 H 1 UNL1 0.2881 33 H 5.5710 -0.9390 1.5710 H 1 UNL1 0.0665 34 H 4.0530 1.1250 1.1680 H 1 UNL1 0.0512 35 H 3.2870 0.0250 2.3090 H 1 UNL1 0.0512 36 H -5.2360 -2.6480 1.0160 H 1 UNL1 0.2220 37 H -5.5880 0.4430 0.4800 H 1 UNL1 0.2220 @BOND 1 19 1 2 2 13 12 2 3 7 6 1 4 9 8 1 5 1 20 1 6 1 3 1 7 12 14 am 8 12 11 am 9 6 4 1 10 6 8 1 11 4 5 1 12 4 2 1 13 10 8 1 14 10 5 1 15 10 11 1 16 14 15 1 17 11 18 1 18 2 3 1 19 15 16 1 20 15 17 2 21 18 17 1 22 1 21 1 23 2 22 1 24 2 23 1 25 4 24 1 26 6 25 1 27 7 26 1 28 8 27 1 29 9 28 1 30 10 29 1 31 14 30 1 32 16 31 1 33 16 32 1 34 17 33 1 35 18 34 1 36 18 35 1 37 20 36 1 38 21 37 1