BTL95I -OEChem-04022109443D 41 42 0 1 0 0 0 0 0999 V2000 5.7155 0.1350 1.2819 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.7503 2.1428 -0.3717 S 0 0 0 0 0 0 0 0 0 0 0 0 0.7731 3.1569 -1.4085 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4190 2.3777 0.8936 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9627 0.4513 -0.9743 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2935 0.6665 -1.0138 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8701 -0.3610 -0.1164 C 0 0 1 0 0 0 0 0 0 0 0 0 1.6396 -1.7491 -0.7144 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2410 -2.2605 -0.4712 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3491 -0.0195 -0.0161 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9396 1.7791 -0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0243 -2.9968 0.6730 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7544 -1.9848 -1.3959 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0022 -0.3066 1.3187 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2645 1.2768 1.2463 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9063 2.0032 -0.9668 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5853 1.2088 0.5784 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5978 0.9892 1.5386 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2396 1.7158 -0.6743 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3171 -3.4695 0.8982 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0473 -2.4574 -1.1706 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3287 -3.1998 -0.0235 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0110 0.9019 0.8909 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4187 -0.2852 0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3535 -2.4638 -0.2829 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8531 -1.7543 -1.7921 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5660 0.6209 -2.0035 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7559 -3.2092 1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5466 -1.4075 -2.2920 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9261 -1.3731 1.5432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5139 0.2815 2.0995 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5109 1.0923 2.0055 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6551 2.3901 -1.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8546 0.5939 2.5178 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0000 1.8909 -1.4309 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5367 -4.0463 1.7918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8355 -2.2457 -1.8873 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3357 -3.5663 0.1525 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4958 1.7780 1.3330 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5608 0.6145 -0.0118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0894 0.0649 1.5931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 2 3 2 0 0 0 0 2 4 2 0 0 0 0 2 6 1 0 0 0 0 2 11 1 0 0 0 0 5 10 2 0 0 0 0 6 7 1 0 0 0 0 6 27 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 24 1 0 0 0 0 8 9 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 20 1 0 0 0 0 12 28 1 0 0 0 0 13 21 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 15 18 1 0 0 0 0 15 32 1 0 0 0 0 16 19 2 0 0 0 0 16 33 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 17 23 1 0 0 0 0 18 34 1 0 0 0 0 19 35 1 0 0 0 0 20 22 2 0 0 0 0 20 36 1 0 0 0 0 21 22 1 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 23 40 1 0 0 0 0 23 41 1 0 0 0 0 M END $$$$