B9O3KE -OEChem-04022109132D 49 52 0 0 0 0 0 0 0999 V2000 7.2764 1.7094 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 1.7706 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 12.8545 -0.9320 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 0.0999 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 10.3600 0.0386 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 13.0624 -1.9101 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8600 0.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3600 0.0386 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.0954 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8600 -0.8274 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4532 -1.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1964 -2.4101 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.9046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.0918 -3.4046 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 -0.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 -0.0954 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4800 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8600 2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2400 1.9046 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0500 -0.4983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.5246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9426 0.2507 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2523 0.6492 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.7154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 0.0946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8468 -1.8699 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 3.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7846 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 4.0246 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.5946 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2146 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4752 -3.3398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0270 -4.0212 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7084 -3.4694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 12 1 0 0 0 0 2 11 2 0 0 0 0 3 6 1 0 0 0 0 3 20 1 0 0 0 0 4 8 2 0 0 0 0 4 13 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 35 1 0 0 0 0 6 24 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 10 1 0 0 0 0 7 11 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 17 1 0 0 0 0 14 16 2 0 0 0 0 14 36 1 0 0 0 0 15 20 1 0 0 0 0 15 37 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 19 1 0 0 0 0 17 18 2 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 21 24 1 0 0 0 0 21 41 1 0 0 0 0 22 25 1 0 0 0 0 22 42 1 0 0 0 0 23 26 2 0 0 0 0 23 43 1 0 0 0 0 24 28 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 27 1 0 0 0 0 26 45 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 28 48 1 0 0 0 0 28 49 1 0 0 0 0 M END $$$$