A7S - Model conformer RDKit 3D 50 52 0 0 0 0 0 0 0 0999 V2000 -18.5150 -13.4950 10.9490 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.2490 -12.3510 11.7180 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8260 -13.8160 10.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.3360 -14.4050 10.4540 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.2880 -11.5470 12.1460 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.5650 -11.8820 11.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8530 -12.9970 11.0430 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.5460 -12.6800 17.6750 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.8510 -14.2340 17.6030 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0240 -16.2320 13.0610 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.0410 -16.1350 14.0460 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.3710 -15.8130 13.3580 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.6970 -15.3130 14.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.7210 -15.1870 15.5980 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1310 -14.8490 14.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.3750 -15.6220 15.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.6520 -11.0120 12.2640 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.0530 -13.5330 15.5940 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2110 -13.6610 16.8420 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5860 -12.3540 18.8760 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.0960 -10.4460 12.8870 F 0 0 0 0 0 0 0 0 0 0 0 0 -20.1130 -14.6660 16.9320 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.7350 -16.7790 11.7120 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.2000 -16.7220 11.2160 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.5150 -12.9580 17.8060 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7580 -16.8370 9.3440 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.5190 -16.2090 10.6980 S 0 0 0 0 0 6 0 0 0 0 0 0 -17.2310 -12.0990 11.9750 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.0380 -14.6890 10.0040 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.4270 -14.0890 10.9860 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2100 -14.2270 9.3760 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.8770 -13.2310 10.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0690 -12.3620 16.7360 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.4910 -12.1330 17.8100 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8840 -14.6100 18.6360 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0160 -14.7080 17.0670 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0300 -16.4530 13.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.1340 -15.8910 12.5980 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.6960 -14.7470 13.9680 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.6310 -15.5810 15.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6150 -15.5510 16.0700 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.0090 -11.3600 13.2440 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.2820 -9.9800 12.3540 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.4800 -11.0430 11.5400 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.5970 -12.7940 14.9190 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.0660 -13.2030 15.8680 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3890 -11.2720 18.9060 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0590 -12.6660 19.8190 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6380 -12.8960 18.7450 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5850 -16.6830 11.1940 H 0 0 0 0 0 0 0 0 0 0 0 0 26 27 2 0 4 27 1 0 4 1 1 0 3 1 1 0 3 7 2 0 27 24 2 0 27 23 1 0 1 2 2 0 7 6 1 0 23 10 1 0 2 5 1 0 6 5 2 0 6 17 1 0 5 21 1 0 10 12 1 0 10 11 2 0 12 13 2 0 11 16 1 0 13 15 1 0 13 14 1 0 15 18 1 0 16 14 2 0 18 19 1 0 14 22 1 0 19 22 1 0 19 25 2 0 22 9 1 0 9 8 1 0 8 20 1 0 2 28 1 0 3 29 1 0 4 30 1 0 4 31 1 0 7 32 1 0 8 33 1 0 8 34 1 0 9 35 1 0 9 36 1 0 11 37 1 0 12 38 1 0 15 39 1 0 15 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 17 44 1 0 18 45 1 0 18 46 1 0 20 47 1 0 20 48 1 0 20 49 1 0 23 50 1 0 M END $$$$