BVL3S5 -OEChem-04022102112D 44 45 0 0 0 0 0 0 0999 V2000 5.1350 -0.5000 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5369 -1.0000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 0.5000 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 0.5000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.0000 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5991 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4651 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1972 -2.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -2.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0010 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4030 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.1077 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 0.4174 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8078 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4092 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2531 2.5826 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8546 1.8923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7297 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9326 2.9750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9976 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2006 -0.0251 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9282 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7341 -2.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3312 -3.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7331 -1.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6025 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3996 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8705 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6675 -1.4750 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6900 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 1 21 1 0 0 0 0 2 19 2 0 0 0 0 3 22 1 0 0 0 0 3 44 1 0 0 0 0 4 22 2 0 0 0 0 5 7 1 0 0 0 0 5 8 1 0 0 0 0 5 12 1 0 0 0 0 6 15 1 0 0 0 0 6 19 1 0 0 0 0 6 39 1 0 0 0 0 7 9 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 10 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 11 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 11 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 13 1 0 0 0 0 12 14 2 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 17 1 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 18 1 0 0 0 0 16 36 1 0 0 0 0 17 18 2 0 0 0 0 17 37 1 0 0 0 0 18 38 1 0 0 0 0 19 20 1 0 0 0 0 20 40 1 0 0 0 0 20 41 1 0 0 0 0 21 22 1 0 0 0 0 21 42 1 0 0 0 0 21 43 1 0 0 0 0 M END $$$$