B3PV6F -OEChem-04022109532D 54 57 0 0 0 0 0 0 0999 V2000 2.8110 4.1974 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 9.1263 -3.5774 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -3.5774 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 -0.5775 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 0.9614 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 -3.5774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 -2.0774 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 0.9614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4712 0.0103 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3378 2.5794 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5590 1.1826 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9410 2.3582 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -0.5775 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5744 1.7704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.2987 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 -1.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5799 1.6659 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9811 2.6840 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 0.3704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 -1.2768 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -2.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9921 2.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3934 3.4930 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 0.0614 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 -1.5858 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3988 3.3884 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.9167 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5282 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 -1.5774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2603 -3.0774 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0609 -0.1813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8394 2.2150 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7022 3.0810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8362 2.9438 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1946 0.6810 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0606 0.8182 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9234 1.6842 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3054 2.8598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4394 2.7226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5765 1.8566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1252 -1.8874 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3277 1.0995 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5977 2.7488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 0.9769 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 -1.6917 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3755 2.4101 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6455 4.0594 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 0.4763 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 -2.1923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 -1.1083 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3942 -4.1974 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7972 -1.7674 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 28 1 0 0 0 0 2 32 2 0 0 0 0 3 30 2 0 0 0 0 4 31 2 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 30 1 0 0 0 0 6 32 1 0 0 0 0 6 53 1 0 0 0 0 7 31 1 0 0 0 0 7 32 1 0 0 0 0 7 54 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 2 0 0 0 0 10 15 2 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 33 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 40 1 0 0 0 0 14 41 1 0 0 0 0 14 42 1 0 0 0 0 15 18 1 0 0 0 0 16 19 2 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 23 2 0 0 0 0 18 43 1 0 0 0 0 19 24 1 0 0 0 0 19 44 1 0 0 0 0 20 25 2 0 0 0 0 20 45 1 0 0 0 0 21 26 1 0 0 0 0 21 46 1 0 0 0 0 22 27 2 0 0 0 0 22 47 1 0 0 0 0 23 30 1 0 0 0 0 23 31 1 0 0 0 0 24 28 2 0 0 0 0 24 48 1 0 0 0 0 25 28 1 0 0 0 0 25 49 1 0 0 0 0 26 29 2 0 0 0 0 26 50 1 0 0 0 0 27 29 1 0 0 0 0 27 51 1 0 0 0 0 29 52 1 0 0 0 0 M END $$$$