@MOLECULE ***** 43 43 0 0 0 SMALL GASTEIGER @ATOM 1 O 2.0170 2.4010 -0.1240 O.2 1 UNL1 -0.2450 2 C 1.8270 1.2280 0.1310 C.2 1 UNL1 0.3392 3 O 2.8710 0.4210 0.4050 O.3 1 UNL1 -0.4599 4 C 4.1940 1.0190 0.3710 C.3 1 UNL1 0.1054 5 C 5.2430 -0.0430 0.7050 C.3 1 UNL1 0.0326 6 N 5.2540 -1.0680 -0.3470 N.3 1 UNL1 -0.3051 7 C 5.9300 -0.5740 -1.5550 C.3 1 UNL1 -0.0129 8 C 5.8750 -2.3090 0.1330 C.3 1 UNL1 -0.0129 9 C 0.4550 0.6900 0.1460 C.ar 1 UNL1 0.0591 10 C 0.2350 -0.6590 0.4440 C.ar 1 UNL1 -0.0460 11 C -1.0420 -1.1560 0.4580 C.ar 1 UNL1 -0.0401 12 C -2.1200 -0.3210 0.1760 C.ar 1 UNL1 0.0272 13 C -1.9040 1.0220 -0.1220 C.ar 1 UNL1 -0.0401 14 C -0.6290 1.5270 -0.1320 C.ar 1 UNL1 -0.0460 15 N -3.4140 -0.8290 0.1900 N.pl3 1 UNL1 -0.3438 16 C -4.5490 0.0490 -0.1070 C.3 1 UNL1 0.0091 17 C -5.8490 -0.7530 -0.0240 C.3 1 UNL1 -0.0377 18 C -7.0340 0.1630 -0.3340 C.3 1 UNL1 -0.0545 19 C -8.3340 -0.6390 -0.2520 C.3 1 UNL1 -0.0652 20 H 4.3860 1.4200 -0.6240 H 1 UNL1 0.0710 21 H 4.2460 1.8250 1.1040 H 1 UNL1 0.0710 22 H 6.2250 0.4240 0.7690 H 1 UNL1 0.0460 23 H 4.9980 -0.5070 1.6610 H 1 UNL1 0.0460 24 H 6.9600 -0.3100 -1.3120 H 1 UNL1 0.0391 25 H 5.9250 -1.3520 -2.3180 H 1 UNL1 0.0391 26 H 5.4080 0.3060 -1.9290 H 1 UNL1 0.0391 27 H 5.2640 -2.7370 0.9280 H 1 UNL1 0.0391 28 H 5.9490 -3.0200 -0.6900 H 1 UNL1 0.0391 29 H 6.8720 -2.0920 0.5170 H 1 UNL1 0.0391 30 H 1.0700 -1.3080 0.6630 H 1 UNL1 0.0626 31 H -1.2130 -2.1980 0.6880 H 1 UNL1 0.0636 32 H -2.7420 1.6670 -0.3410 H 1 UNL1 0.0636 33 H -0.4630 2.5700 -0.3590 H 1 UNL1 0.0626 34 H -3.5650 -1.7640 0.3970 H 1 UNL1 0.1461 35 H -4.5770 0.8630 0.6170 H 1 UNL1 0.0461 36 H -4.4380 0.4590 -1.1110 H 1 UNL1 0.0461 37 H -5.8200 -1.5680 -0.7480 H 1 UNL1 0.0280 38 H -5.9600 -1.1630 0.9800 H 1 UNL1 0.0280 39 H -7.0630 0.9780 0.3900 H 1 UNL1 0.0263 40 H -6.9230 0.5730 -1.3380 H 1 UNL1 0.0263 41 H -8.3060 -1.4530 -0.9750 H 1 UNL1 0.0230 42 H -8.4450 -1.0480 0.7520 H 1 UNL1 0.0230 43 H -9.1790 0.0140 -0.4730 H 1 UNL1 0.0230 @BOND 1 8 6 1 2 7 6 1 3 6 5 1 4 5 4 1 5 4 3 1 6 19 18 1 7 3 2 1 8 17 18 1 9 17 16 1 10 10 11 ar 11 10 9 ar 12 2 9 1 13 2 1 2 14 11 12 ar 15 9 14 ar 16 12 15 1 17 12 13 ar 18 16 15 1 19 14 13 ar 20 4 20 1 21 4 21 1 22 5 22 1 23 5 23 1 24 7 24 1 25 7 25 1 26 7 26 1 27 8 27 1 28 8 28 1 29 8 29 1 30 10 30 1 31 11 31 1 32 13 32 1 33 14 33 1 34 15 34 1 35 16 35 1 36 16 36 1 37 17 37 1 38 17 38 1 39 18 39 1 40 18 40 1 41 19 41 1 42 19 42 1 43 19 43 1