@MOLECULE CGY 40 41 0 0 0 SMALL GASTEIGER @ATOM 1 C 1.9930 0.8800 0.3900 C.ar 1 UNL1 0.0229 2 C 0.7170 1.6810 0.3800 C.3 1 UNL1 0.0898 3 C 3.1720 1.4430 0.8600 C.ar 1 UNL1 0.1241 4 C 0.5860 2.4700 -0.9410 C.3 1 UNL1 0.0063 5 C -0.9230 2.4130 -1.2660 C.3 1 UNL1 0.0862 6 C 4.3450 -0.5070 0.4510 C.ar 1 UNL1 0.1465 7 C -1.5260 1.5960 -0.1020 C.3 1 UNL1 0.1091 8 C 3.1980 -1.1350 -0.0350 C.ar 1 UNL1 0.1345 9 C -2.6490 0.6910 -0.6120 C.3 1 UNL1 0.0877 10 C 2.0010 -0.4300 -0.0660 C.ar 1 UNL1 -0.0214 11 N 3.1700 2.7580 1.3190 N.pl3 1 UNL1 -0.3428 12 N 4.2980 0.7450 0.8770 N.ar 1 UNL1 -0.2156 13 N 5.5500 -1.2040 0.4870 N.pl3 1 UNL1 -0.3413 14 N 3.2520 -2.4630 -0.4870 N.4 1 UNL1 -0.1253 15 O -1.4790 3.7290 -1.2950 O.3 1 UNL1 -0.3891 16 O -0.4290 0.8020 0.4000 O.3 1 UNL1 -0.3637 17 O -3.2700 0.0320 0.4940 O.3 1 UNL1 -0.2841 18 O 2.0580 -3.2040 -0.0810 O.3 1 UNL1 -0.2624 19 O 3.4340 -2.5160 -1.9380 O.3 1 UNL1 -0.2624 20 O -5.5920 -0.3450 -0.4210 O.2 1 UNL1 -0.2275 21 O -3.9950 -2.2980 -0.4850 O.3 1 UNL1 -0.3026 22 P -4.4950 -1.0000 0.3250 P.3 1 UNL1 0.4724 23 H 0.6890 2.3590 1.2340 H 1 UNL1 0.0648 24 H 0.9090 3.5020 -0.8030 H 1 UNL1 0.0319 25 H 1.1670 1.9920 -1.7300 H 1 UNL1 0.0319 26 H -1.0910 1.9050 -2.2160 H 1 UNL1 0.0621 27 H -1.8990 2.2620 0.6770 H 1 UNL1 0.0645 28 H -3.3900 1.2920 -1.1390 H 1 UNL1 0.0592 29 H -2.2350 -0.0540 -1.2920 H 1 UNL1 0.0592 30 H 1.0980 -0.8910 -0.4370 H 1 UNL1 0.0645 31 H 2.3490 3.2750 1.3090 H 1 UNL1 0.1437 32 H 3.9900 3.1580 1.6490 H 1 UNL1 0.1437 33 H 5.5740 -2.1440 0.2510 H 1 UNL1 0.1438 34 H 6.3660 -0.7490 0.7490 H 1 UNL1 0.1438 35 H -1.0930 4.3040 -1.9690 H 1 UNL1 0.2099 36 H 2.0500 -4.1270 -0.3710 H 1 UNL1 0.2470 37 H 3.4770 -3.4130 -2.2970 H 1 UNL1 0.2470 38 H -3.2750 -2.7780 -0.0540 H 1 UNL1 0.2220 39 O -5.0250 -1.4450 1.7780 O.3 1 UNL1 -0.3026 40 H -5.7650 -2.0680 1.7530 H 1 UNL1 0.2220 @BOND 1 15 5 1 2 5 4 1 3 5 7 1 4 20 22 2 5 4 2 1 6 9 17 1 7 9 7 1 8 17 22 1 9 7 16 1 10 22 21 1 11 2 16 1 12 2 1 1 13 1 10 ar 14 1 3 ar 15 10 8 ar 16 18 14 1 17 11 3 1 18 3 12 ar 19 8 14 1 20 8 6 ar 21 14 19 1 22 12 6 ar 23 6 13 1 24 2 23 1 25 4 24 1 26 4 25 1 27 5 26 1 28 7 27 1 29 9 28 1 30 9 29 1 31 10 30 1 32 11 31 1 33 11 32 1 34 13 33 1 35 13 34 1 36 15 35 1 37 18 36 1 38 19 37 1 39 21 38 1 40 22 39 1 41 39 40 1