A1C - Model conformer RDKit 3D 50 52 0 0 0 0 0 0 0 0999 V2000 -18.8810 -13.0400 10.8010 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.7040 -11.6930 11.3660 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.1200 -13.5940 10.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.5390 -13.8030 10.3750 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8000 -10.9790 11.7410 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.0210 -11.5620 11.5570 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2020 -12.8080 10.9930 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.6420 -11.9390 17.5420 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.9020 -13.4950 17.4620 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.1350 -15.6110 13.0060 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.1390 -15.4640 13.9730 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.4880 -15.2170 13.3160 C 0 0 0 0 0 0 0 0 0 0 0 0 -20.8080 -14.6860 14.5470 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.8110 -14.5020 15.5090 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.2430 -14.2370 14.8430 C 0 0 0 0 0 0 0 0 0 0 0 0 -18.4570 -14.9150 15.2210 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.2470 -10.8360 11.9690 C 0 0 0 0 0 0 0 0 0 0 0 0 -22.1630 -12.9060 15.5150 C 0 0 0 0 0 0 0 0 0 0 0 0 -21.2650 -12.9650 16.7390 C 0 0 0 0 0 0 0 0 0 0 0 0 -17.6730 -11.6460 18.7420 C 0 0 0 0 0 0 0 0 0 0 0 0 -19.6030 -9.3580 12.4490 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -20.1660 -13.9570 16.8340 N 0 0 0 0 0 0 0 0 0 0 0 0 -18.9100 -16.1840 11.6540 N 0 0 0 0 0 0 0 0 0 0 0 0 -16.3320 -16.0450 11.3200 O 0 0 0 0 0 0 0 0 0 0 0 0 -21.5080 -12.2300 17.6970 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.7670 -16.2510 9.3500 O 0 0 0 0 0 0 0 0 0 0 0 0 -17.6260 -15.6190 10.7080 S 0 0 0 0 0 6 0 0 0 0 0 0 -17.7150 -11.2750 11.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 -20.2490 -14.5720 10.1570 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.6970 -13.3800 10.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.3710 -13.6490 9.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.2050 -13.1840 10.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1830 -11.5930 16.6040 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.5950 -11.4130 17.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.8870 -13.8830 18.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.0720 -13.9370 16.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.1260 -15.7730 13.7590 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.2610 -15.3400 12.5720 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.8120 -14.1510 13.9050 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.7360 -14.9640 15.5050 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.6880 -14.8000 15.9700 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.4900 -11.0880 13.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 -22.0780 -9.7530 11.8830 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.0830 -11.1290 11.3170 H 0 0 0 0 0 0 0 0 0 0 0 0 -21.7570 -12.1690 14.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 -23.1730 -12.5980 15.8250 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.4850 -10.5640 18.8070 H 0 0 0 0 0 0 0 0 0 0 0 0 -18.1330 -11.9950 19.6780 H 0 0 0 0 0 0 0 0 0 0 0 0 -16.7210 -12.1740 18.5820 H 0 0 0 0 0 0 0 0 0 0 0 0 -19.7470 -16.0280 11.1300 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 2 5 1 0 6 5 2 0 6 17 1 0 23 10 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 14 22 1 0 18 19 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 $$$$