A8S - Model conformer RDKit 3D 39 39 0 0 0 0 0 0 0 0999 V2000 -10.1320 -28.9000 2.4430 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2500 -29.4720 3.8390 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9250 -29.6790 4.5790 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2660 -28.3400 4.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9700 -28.3480 5.2430 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1380 -30.6220 5.7630 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0680 -27.1680 5.5530 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.2960 -26.1480 4.6020 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.3680 -26.4670 6.8470 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6510 -27.0500 7.7560 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -27.7400 7.9760 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9900 -27.9190 9.1500 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1420 -28.3290 6.8500 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9720 -29.2470 1.5840 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5740 -27.6480 5.5550 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2240 -28.0720 2.1950 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3430 -25.3040 6.8970 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5420 -26.5320 5.3900 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3780 -28.6190 4.4190 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2030 -29.7170 4.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8300 -27.4190 4.9000 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5030 -29.3210 5.2900 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1850 -30.7680 6.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8760 -30.1850 6.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5070 -31.5920 5.3970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7330 -25.4060 4.7910 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1450 -26.9040 8.7050 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0420 -28.3290 6.8750 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5410 -29.3540 6.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7980 -28.7920 0.7680 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4210 -24.9350 7.9300 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9820 -24.4950 6.2450 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5300 -26.9630 5.4030 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7090 -26.0170 4.4320 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6450 -25.8120 6.2160 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3340 -28.9650 4.4080 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0480 -29.4810 4.5540 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6090 -28.1200 3.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3320 -25.6400 6.5520 H 0 0 0 0 0 0 0 0 0 0 0 0 14 1 1 0 16 1 2 0 1 2 1 0 2 3 2 0 2 20 1 0 3 4 1 0 3 6 1 0 4 5 2 0 4 21 1 0 5 7 1 0 5 22 1 0 6 23 1 0 6 24 1 0 6 25 1 0 7 8 1 6 7 15 1 0 7 9 1 0 8 26 1 0 9 17 1 0 9 10 2 0 10 11 1 0 10 27 1 0 13 11 1 0 11 12 2 0 15 13 1 0 13 28 1 0 13 29 1 0 19 15 1 0 18 15 1 0 14 30 1 0 17 31 1 0 17 32 1 0 18 33 1 0 18 34 1 0 18 35 1 0 19 36 1 0 19 37 1 0 19 38 1 0 17 39 1 0 M END $$$$