@MOLECULE ***** 52 55 0 0 0 SMALL GASTEIGER @ATOM 1 C 2.1110 -3.0690 -1.4120 C.3 1 UNL1 0.0729 2 C -3.7420 -0.4990 0.7010 C.ar 1 UNL1 0.1126 3 C -6.0640 1.6500 -1.3320 C.ar 1 UNL1 -0.0258 4 C -7.2940 1.2900 -0.8080 C.ar 1 UNL1 0.1234 5 C -6.2210 -0.2310 0.7010 C.ar 1 UNL1 -0.0498 6 C 8.5140 0.7990 0.0100 C.3 1 UNL1 -0.0397 7 C 7.0260 1.0390 0.0060 C.ar 1 UNL1 -0.0504 8 C 6.5300 2.2900 -0.3150 C.ar 1 UNL1 -0.0578 9 C 5.1680 2.5140 -0.3200 C.ar 1 UNL1 -0.0480 10 C 4.2940 1.4810 -0.0020 C.ar 1 UNL1 0.0104 11 C 1.8790 0.1460 0.4640 C.3 1 UNL1 0.1369 12 C 1.7110 -2.1300 -0.2720 C.3 1 UNL1 0.1111 13 C 0.1860 -2.1120 -0.1380 C.3 1 UNL1 0.1083 14 C -0.2100 -1.1250 0.9650 C.3 1 UNL1 0.1116 15 C -2.4640 -0.2560 0.2900 C.ar 1 UNL1 0.0538 16 C -4.9820 0.1240 0.1730 C.ar 1 UNL1 0.0038 17 C -4.9090 1.0690 -0.8480 C.ar 1 UNL1 -0.0498 18 C -7.3710 0.3510 0.2080 C.ar 1 UNL1 -0.0258 19 C 0.3610 0.2560 0.6280 C.3 1 UNL1 0.1157 20 C 4.7960 0.2260 0.3210 C.ar 1 UNL1 -0.0480 21 C 6.1590 0.0080 0.3180 C.ar 1 UNL1 -0.0578 22 F -8.4230 1.8570 -1.2880 F 1 UNL1 -0.2055 23 N -1.6700 -1.0440 1.0500 N.ar 1 UNL1 -0.2429 24 N -3.6530 -1.4190 1.6780 N.ar 1 UNL1 -0.1295 25 N -2.4140 -1.7130 1.8590 N.ar 1 UNL1 -0.0647 26 O 2.1790 -0.8100 -0.5550 O.3 1 UNL1 -0.3550 27 O 3.5360 -3.1750 -1.4630 O.3 1 UNL1 -0.3924 28 O -0.3980 -1.7030 -1.3760 O.3 1 UNL1 -0.3869 29 O 0.0590 1.1690 1.6850 O.3 1 UNL1 -0.3861 30 S 2.5550 1.7630 -0.0060 S.3 1 UNL1 -0.0912 31 H 1.6790 -4.0550 -1.2400 H 1 UNL1 0.0584 32 H 1.7420 -2.6710 -2.3570 H 1 UNL1 0.0584 33 H -6.0080 2.3820 -2.1230 H 1 UNL1 0.0646 34 H -6.2820 -0.9630 1.4930 H 1 UNL1 0.0625 35 H 8.9130 1.0110 1.0010 H 1 UNL1 0.0278 36 H 8.7140 -0.2410 -0.2470 H 1 UNL1 0.0278 37 H 8.9890 1.4520 -0.7210 H 1 UNL1 0.0278 38 H 7.2100 3.0920 -0.5620 H 1 UNL1 0.0621 39 H 4.7810 3.4910 -0.5710 H 1 UNL1 0.0629 40 H 2.3240 -0.1740 1.4060 H 1 UNL1 0.0743 41 H 2.1540 -2.4810 0.6600 H 1 UNL1 0.0646 42 H -0.1690 -3.1100 0.1210 H 1 UNL1 0.0642 43 H 0.1930 -1.4620 1.9200 H 1 UNL1 0.0599 44 H -2.1490 0.4270 -0.4860 H 1 UNL1 0.0849 45 H -3.9500 1.3460 -1.2600 H 1 UNL1 0.0625 46 H -8.3330 0.0770 0.6170 H 1 UNL1 0.0646 47 H -0.0810 0.6150 -0.3020 H 1 UNL1 0.0650 48 H 4.1200 -0.5790 0.5690 H 1 UNL1 0.0629 49 H 6.5500 -0.9690 0.5640 H 1 UNL1 0.0621 50 H 3.8620 -3.7560 -2.1640 H 1 UNL1 0.2095 51 H -0.1840 -2.2820 -2.1210 H 1 UNL1 0.2100 52 H 0.3960 2.0640 1.5400 H 1 UNL1 0.2100 @BOND 1 6 7 1 2 7 8 ar 3 7 21 ar 4 8 9 ar 5 21 20 ar 6 9 10 ar 7 20 10 ar 8 10 30 1 9 29 19 1 10 25 24 ar 11 25 23 ar 12 30 11 1 13 11 19 1 14 11 26 1 15 24 2 ar 16 14 19 1 17 14 23 1 18 14 13 1 19 23 15 ar 20 12 26 1 21 12 13 1 22 12 1 1 23 13 28 1 24 2 15 ar 25 2 16 1 26 27 1 1 27 5 16 ar 28 5 18 ar 29 16 17 ar 30 18 4 ar 31 17 3 ar 32 4 3 ar 33 4 22 1 34 1 31 1 35 1 32 1 36 3 33 1 37 5 34 1 38 6 35 1 39 6 36 1 40 6 37 1 41 8 38 1 42 9 39 1 43 11 40 1 44 12 41 1 45 13 42 1 46 14 43 1 47 15 44 1 48 17 45 1 49 18 46 1 50 19 47 1 51 20 48 1 52 21 49 1 53 27 50 1 54 28 51 1 55 29 52 1