Ketcher 05042111362D 1 1.00000 0.00000 0 51 55 0 1 0 999 V2000 13.3633 -9.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3633 -8.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 -7.7007 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 -9.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6294 -9.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6294 -8.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 -8.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 -9.2023 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 -7.7007 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 -8.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0272 -7.7007 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 -9.2023 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0272 -6.6996 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1602 -8.2014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 -6.1990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8942 -5.1979 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4963 -10.7041 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 13.3633 -11.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 11.6294 -11.2047 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0555 -9.1969 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0763 -9.4050 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.5756 -8.5381 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2455 -7.7942 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5801 -8.4334 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.6470 -7.2612 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2303 -9.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.0973 -9.2023 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 -9.7030 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0273 -4.6974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0273 -5.6985 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6282 -5.1979 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7611 -3.6963 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 15.9643 -9.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 16.8313 -9.2025 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 17.6982 -9.7030 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 14.2874 -8.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 14.5968 -7.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5979 -7.6618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 15.9073 -8.6139 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5652 -9.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4322 -9.7030 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2992 -9.2026 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 19.4321 -10.7043 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1661 -9.7033 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 20.2990 -11.2048 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 21.1661 -10.7044 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 18.5653 -8.2015 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0331 -9.2029 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 22.0330 -11.2050 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 20.2992 -8.2015 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 11 14 1 0 0 0 2 3 1 0 0 0 13 15 1 0 0 0 6 7 1 0 0 0 15 16 1 0 0 0 7 8 1 0 0 0 4 17 1 0 0 0 8 5 1 0 0 0 17 18 1 0 0 0 3 6 1 0 0 0 17 19 2 0 0 0 14 20 2 0 0 0 7 9 1 1 0 0 5 4 1 0 0 0 9 10 1 0 0 0 5 6 1 0 0 0 20 21 1 0 0 0 21 22 1 0 0 0 22 23 2 0 0 0 23 14 1 0 0 0 10 11 1 0 0 0 22 24 1 0 0 0 6 25 1 6 0 0 10 12 2 0 0 0 1 26 1 0 0 0 1 2 1 0 0 0 26 27 1 0 0 0 11 13 2 0 0 0 1 4 2 0 0 0 8 28 2 0 0 0 16 29 1 0 0 0 16 30 1 0 0 0 16 31 1 0 0 0 29 32 1 0 0 0 29 33 2 0 0 0 27 34 1 0 0 0 34 35 1 0 0 0 35 36 1 0 0 0 38 37 1 0 0 0 27 37 1 0 0 0 39 38 1 0 0 0 40 27 1 0 0 0 40 39 1 0 0 0 36 41 1 0 0 0 43 42 1 0 0 0 44 42 2 0 0 0 45 43 2 0 0 0 46 44 1 0 0 0 47 45 1 0 0 0 47 46 2 0 0 0 41 42 1 0 0 0 41 48 2 0 0 0 45 49 1 0 0 0 47 50 1 0 0 0 43 51 1 0 0 0 M CHG 2 18 -1 27 1 M END