@MOLECULE CTD 31 32 0 0 0 SMALL GASTEIGER @ATOM 1 N -0.0550 -0.1530 1.0190 N.ar 1 UNL1 -0.2862 2 C -0.4380 -1.0190 1.9750 C.ar 1 UNL1 0.2551 3 C -0.1630 -0.7490 3.3190 C.ar 1 UNL1 0.0237 4 C 0.5050 0.4180 3.6490 C.ar 1 UNL1 0.0311 5 C 0.8830 1.3020 2.6160 C.ar 1 UNL1 -0.0245 6 C 0.6000 0.9950 1.3330 C.ar 1 UNL1 0.0123 7 O -1.0260 -2.0440 1.6680 O.2 1 UNL1 -0.2676 8 N 0.7910 0.7150 4.9690 N.pl3 1 UNL1 -0.3578 9 C1* -0.3510 -0.4520 -0.3830 C.3 1 UNL1 0.1667 10 C2* -1.2060 0.6730 -1.0050 C.3 1 UNL1 0.1285 11 O2* -2.5890 0.3130 -1.0150 O.3 1 UNL1 -0.3847 12 C3* -0.6680 0.7970 -2.4500 C.3 1 UNL1 0.1135 13 C4* 0.4440 -0.2710 -2.5290 C.3 1 UNL1 0.1126 14 O4* 0.8640 -0.4670 -1.1610 O.3 1 UNL1 -0.3457 15 O3* -1.7010 0.5150 -3.3960 O.3 1 UNL1 -0.3864 16 C5* 1.6120 0.2340 -3.3780 C.3 1 UNL1 0.0730 17 O5* 2.6580 -0.7380 -3.3770 O.3 1 UNL1 -0.3924 18 H -0.4670 -1.4420 4.0900 H 1 UNL1 0.0690 19 H 1.4050 2.2180 2.8510 H 1 UNL1 0.0650 20 H 0.8950 1.6720 0.5460 H 1 UNL1 0.0811 21 H 1.2590 1.5350 5.1910 H 1 UNL1 0.1423 22 H 0.5200 0.1050 5.6730 H 1 UNL1 0.1423 23 H1* -0.8660 -1.4090 -0.4660 H 1 UNL1 0.0866 24 H2* -1.0590 1.6070 -0.4610 H 1 UNL1 0.0665 25 H2* -3.0600 1.0260 -1.4680 H 1 UNL1 0.2101 26 H3* -0.2560 1.7910 -2.6210 H 1 UNL1 0.0647 27 H4* 0.0500 -1.1990 -2.9420 H 1 UNL1 0.0647 28 H3* -1.2940 0.5460 -4.2720 H 1 UNL1 0.2100 29 H5*1 1.2730 0.4020 -4.4000 H 1 UNL1 0.0584 30 H5*2 1.9860 1.1700 -2.9610 H 1 UNL1 0.0584 31 H5* 3.3730 -0.3810 -3.9220 H 1 UNL1 0.2095 @BOND 1 1 2 ar 2 1 6 ar 3 1 9 1 4 2 3 ar 5 2 7 2 6 3 4 ar 7 3 18 1 8 4 5 ar 9 4 8 1 10 5 6 ar 11 5 19 1 12 6 20 1 13 8 21 1 14 8 22 1 15 9 10 1 16 9 14 1 17 9 23 1 18 10 11 1 19 10 12 1 20 10 24 1 21 11 25 1 22 12 13 1 23 12 15 1 24 12 26 1 25 13 14 1 26 13 16 1 27 13 27 1 28 15 28 1 29 16 17 1 30 16 29 1 31 16 30 1 32 17 31 1