@MOLECULE ***** 51 53 0 0 0 SMALL GASTEIGER @ATOM 1 N -2.8090 -0.9120 -0.4900 N.am 1 UNL1 -0.3134 2 C -0.4130 -1.4910 -0.6910 C.3 1 UNL1 0.1022 3 C 1.3890 0.2460 -0.5460 C.2 1 UNL1 0.2333 4 O 0.7640 1.0020 -1.2590 O.2 1 UNL1 -0.2739 5 C -1.5300 -0.6130 -0.1890 C.2 1 UNL1 0.2336 6 C -3.8950 -0.0540 -0.0070 C.3 1 UNL1 0.0171 7 C -5.2360 -0.6090 -0.4910 C.3 1 UNL1 0.0066 8 C -6.3530 0.2730 0.0060 C.ar 1 UNL1 0.0603 9 C -7.2980 0.8570 -0.7550 C.ar 1 UNL1 0.0243 10 C -7.6290 1.3870 1.3420 C.ar 1 UNL1 0.0936 11 C -0.5580 -2.9130 -0.1090 C.3 1 UNL1 -0.0243 12 C 0.9110 -3.3240 0.1750 C.3 1 UNL1 -0.0350 13 C 1.5310 -1.9750 0.6170 C.3 1 UNL1 0.0156 14 C 3.8400 0.0200 -0.8490 C.3 1 UNL1 -0.0039 15 C 5.1820 0.3330 -0.2380 C.ar 1 UNL1 -0.0454 16 C 5.7270 -0.5190 0.7040 C.ar 1 UNL1 -0.0585 17 C 6.9570 -0.2330 1.2650 C.ar 1 UNL1 -0.0615 18 C 7.6430 0.9050 0.8840 C.ar 1 UNL1 -0.0617 19 C 7.0980 1.7570 -0.0590 C.ar 1 UNL1 -0.0615 20 C 5.8700 1.4680 -0.6240 C.ar 1 UNL1 -0.0585 21 N 2.8570 2.1220 -0.0650 N.3 1 UNL1 -0.3197 22 C 2.7340 0.6590 -0.0060 C.3 1 UNL1 0.0865 23 O -1.2780 0.3630 0.4850 O.2 1 UNL1 -0.2738 24 N 0.8810 -0.9630 -0.2350 N.am 1 UNL1 -0.2886 25 N -8.1080 1.5640 0.0920 N.ar 1 UNL1 -0.3506 26 N -6.5830 0.6090 1.2840 N.ar 1 UNL1 -0.2408 27 H -3.0110 -1.6920 -1.0290 H 1 UNL1 0.1487 28 H -0.4350 -1.5320 -1.7800 H 1 UNL1 0.0597 29 H -3.8830 -0.0320 1.0830 H 1 UNL1 0.0466 30 H -3.7590 0.9560 -0.3930 H 1 UNL1 0.0466 31 H -5.2480 -0.6320 -1.5800 H 1 UNL1 0.0344 32 H -5.3720 -1.6190 -0.1050 H 1 UNL1 0.0344 33 H -7.3980 0.7830 -1.8280 H 1 UNL1 0.0825 34 H -8.0460 1.8140 2.2420 H 1 UNL1 0.1027 35 H -1.1390 -2.8960 0.8130 H 1 UNL1 0.0288 36 H -1.0120 -3.5840 -0.8390 H 1 UNL1 0.0288 37 H 0.9630 -4.0600 0.9770 H 1 UNL1 0.0281 38 H 1.3940 -3.6980 -0.7280 H 1 UNL1 0.0281 39 H 1.3120 -1.7830 1.6680 H 1 UNL1 0.0465 40 H 2.6080 -1.9790 0.4480 H 1 UNL1 0.0465 41 H 3.8010 0.4200 -1.8630 H 1 UNL1 0.0333 42 H 3.6970 -1.0600 -0.8790 H 1 UNL1 0.0333 43 H 5.1910 -1.4080 1.0030 H 1 UNL1 0.0620 44 H 7.3830 -0.8980 2.0010 H 1 UNL1 0.0618 45 H 8.6040 1.1290 1.3220 H 1 UNL1 0.0618 46 H 7.6330 2.6470 -0.3560 H 1 UNL1 0.0618 47 H 5.4440 2.1340 -1.3600 H 1 UNL1 0.0620 48 H 3.7240 2.4290 0.3510 H 1 UNL1 0.1189 49 H 2.7730 2.4540 -1.0140 H 1 UNL1 0.1189 50 H 2.8290 0.3270 1.0280 H 1 UNL1 0.0558 51 H -8.8810 2.0930 -0.1590 H 1 UNL1 0.1662 @BOND 1 23 5 2 2 11 12 1 3 11 2 1 4 6 1 1 5 6 7 1 6 12 13 1 7 5 1 am 8 5 2 1 9 13 24 1 10 2 24 1 11 7 8 1 12 24 3 am 13 9 8 ar 14 9 25 ar 15 8 26 ar 16 25 10 ar 17 3 4 2 18 3 22 1 19 26 10 ar 20 21 22 1 21 22 14 1 22 20 19 ar 23 20 15 ar 24 19 18 ar 25 14 15 1 26 15 16 ar 27 18 17 ar 28 16 17 ar 29 1 27 1 30 2 28 1 31 6 29 1 32 6 30 1 33 7 31 1 34 7 32 1 35 9 33 1 36 10 34 1 37 11 35 1 38 11 36 1 39 12 37 1 40 12 38 1 41 13 39 1 42 13 40 1 43 14 41 1 44 14 42 1 45 16 43 1 46 17 44 1 47 18 45 1 48 19 46 1 49 20 47 1 50 21 48 1 51 21 49 1 52 22 50 1 53 25 51 1