B2MSV9 -OEChem-04012114252D 50 53 0 1 0 0 0 0 0999 V2000 6.4712 3.1014 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 5.4899 0.0812 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.1160 -1.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6519 -2.6976 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -1.1975 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7500 1.3413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7500 1.3413 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1622 2.1503 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -0.1975 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 8.0590 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4410 0.3902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -1.1975 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0100 0.0812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1622 2.1503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -1.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8532 3.1014 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 3.6892 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 3.4104 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5179 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2500 -4.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -4.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 4.3885 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 2.7412 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7859 -3.1976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 4.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 3.0503 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.0284 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9198 -2.6976 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8024 -0.4790 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8184 -0.5084 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5997 -0.1104 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2016 0.6709 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 -2.8876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6622 4.3092 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9810 -4.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7869 -4.5076 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3839 -5.3176 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1550 4.8034 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2879 2.1348 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3873 -3.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1844 -3.6725 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6142 5.3040 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 2.6354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 4.2200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2298 -2.1606 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3829 -2.3876 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6098 -3.2345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 1 0 0 0 0 1 20 1 0 0 0 0 2 11 2 0 0 0 0 3 12 2 0 0 0 0 4 18 1 0 0 0 0 4 27 1 0 0 0 0 5 15 2 0 0 0 0 6 7 1 0 0 0 0 6 11 1 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 8 14 2 0 0 0 0 8 17 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 32 1 0 0 0 0 10 13 1 0 0 0 0 12 15 1 0 0 0 0 13 33 1 0 0 0 0 13 34 1 0 0 0 0 13 35 1 0 0 0 0 15 16 1 0 0 0 0 16 18 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 17 21 1 0 0 0 0 18 22 2 0 0 0 0 19 23 1 0 0 0 0 19 36 1 0 0 0 0 20 37 1 0 0 0 0 21 25 2 0 0 0 0 21 26 1 0 0 0 0 22 24 1 0 0 0 0 22 38 1 0 0 0 0 23 24 2 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 25 28 1 0 0 0 0 25 41 1 0 0 0 0 26 29 2 0 0 0 0 26 42 1 0 0 0 0 27 31 1 0 0 0 0 27 43 1 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 M END $$$$