@MOLECULE ***** 41 43 0 0 0 SMALL GASTEIGER @ATOM 1 C 7.2340 2.1940 -0.8500 C.3 1 UNL1 0.0364 2 O 6.2620 1.7510 0.1000 O.3 1 UNL1 -0.3830 3 C 5.2830 0.8620 -0.4410 C.3 1 UNL1 0.0476 4 C 4.3000 0.4540 0.6580 C.3 1 UNL1 -0.0261 5 C 3.2530 -0.4980 0.0780 C.3 1 UNL1 -0.0315 6 C 2.1060 -0.9290 0.9950 C.3 1 UNL1 -0.0111 7 C 3.2110 -1.9240 0.6320 C.3 1 UNL1 -0.0424 8 C 0.7520 -1.1330 0.3670 C.ar 1 UNL1 -0.0225 9 C 0.5790 -2.0700 -0.6340 C.ar 1 UNL1 0.0312 10 N -0.6020 -2.2560 -1.1910 N.ar 1 UNL1 -0.2594 11 C -1.6610 -1.5630 -0.8220 C.ar 1 UNL1 0.0692 12 C -1.5660 -0.6040 0.1760 C.ar 1 UNL1 0.1388 13 C -0.3370 -0.3860 0.7890 C.ar 1 UNL1 -0.0135 14 O -2.6620 0.1050 0.5570 O.3 1 UNL1 -0.4889 15 C -3.8860 -0.1790 -0.1220 C.3 1 UNL1 0.1050 16 C -4.9980 0.7100 0.4390 C.3 1 UNL1 0.0430 17 C -6.3910 0.4010 -0.1400 C.3 1 UNL1 -0.0218 18 C -6.5920 1.9250 -0.2100 C.3 1 UNL1 -0.0022 19 N -5.1150 2.0190 -0.2410 N.3 1 UNL1 -0.3101 20 H 6.7340 2.7220 -1.6610 H 1 UNL1 0.0523 21 H 7.9400 2.8650 -0.3610 H 1 UNL1 0.0523 22 H 7.7680 1.3330 -1.2510 H 1 UNL1 0.0523 23 H 4.7430 1.3620 -1.2450 H 1 UNL1 0.0560 24 H 5.7780 -0.0270 -0.8340 H 1 UNL1 0.0560 25 H 4.8410 -0.0460 1.4620 H 1 UNL1 0.0290 26 H 3.8060 1.3430 1.0510 H 1 UNL1 0.0290 27 H 3.0270 -0.3610 -0.9790 H 1 UNL1 0.0307 28 H 2.0980 -0.5350 2.0110 H 1 UNL1 0.0352 29 H 2.9570 -2.7250 -0.0620 H 1 UNL1 0.0274 30 H 3.9300 -2.1830 1.4080 H 1 UNL1 0.0274 31 H 1.4220 -2.6580 -0.9650 H 1 UNL1 0.0832 32 H -2.6110 -1.7430 -1.3020 H 1 UNL1 0.0867 33 H -0.2310 0.3530 1.5700 H 1 UNL1 0.0658 34 H -3.7650 0.0190 -1.1870 H 1 UNL1 0.0712 35 H -4.1490 -1.2260 0.0250 H 1 UNL1 0.0712 36 H -4.9800 0.7780 1.5260 H 1 UNL1 0.0494 37 H -6.3630 -0.0840 -1.1160 H 1 UNL1 0.0294 38 H -7.0570 -0.1000 0.5630 H 1 UNL1 0.0294 39 H -7.0730 2.2630 -1.1280 H 1 UNL1 0.0425 40 H -7.0420 2.3510 0.6870 H 1 UNL1 0.0425 41 H -4.7880 2.7660 0.3530 H 1 UNL1 0.1223 @BOND 1 19 16 1 2 19 18 1 3 16 15 1 4 16 17 1 5 18 17 1 6 15 14 1 7 14 12 1 8 12 13 ar 9 12 11 ar 10 7 5 1 11 7 6 1 12 13 8 ar 13 11 10 ar 14 5 6 1 15 5 4 1 16 8 6 1 17 8 9 ar 18 10 9 ar 19 4 3 1 20 3 2 1 21 2 1 1 22 1 20 1 23 1 21 1 24 1 22 1 25 3 23 1 26 3 24 1 27 4 25 1 28 4 26 1 29 5 27 1 30 6 28 1 31 7 29 1 32 7 30 1 33 9 31 1 34 11 32 1 35 13 33 1 36 15 34 1 37 15 35 1 38 16 36 1 39 17 37 1 40 17 38 1 41 18 39 1 42 18 40 1 43 19 41 1