BPU98D -OEChem-04022109102D 44 46 0 0 0 0 0 0 0999 V2000 7.1962 -4.4400 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.0600 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -2.9747 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -1.4192 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -4.4400 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -1.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.4400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 -0.9053 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.0600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -3.9400 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.5600 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 -2.4608 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0747 1.4523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 2.1426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 2.1677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 1.4774 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8535 0.6677 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2520 -0.0226 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2087 2.9523 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8101 3.6426 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 0.3700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -1.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -2.7500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.4400 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 -0.2854 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.6800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.2500 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 4.8700 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 -2.7729 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -5.0600 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 -4.1300 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 2 0 0 0 0 2 8 1 0 0 0 0 2 10 1 0 0 0 0 2 33 1 0 0 0 0 3 13 1 0 0 0 0 3 24 2 0 0 0 0 4 19 2 0 0 0 0 4 24 1 0 0 0 0 5 22 1 0 0 0 0 5 43 1 0 0 0 0 5 44 1 0 0 0 0 6 7 1 0 0 0 0 6 8 1 0 0 0 0 6 25 1 0 0 0 0 6 26 1 0 0 0 0 7 9 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 11 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 12 2 0 0 0 0 10 14 1 0 0 0 0 11 17 2 0 0 0 0 11 18 1 0 0 0 0 12 13 1 0 0 0 0 12 19 1 0 0 0 0 13 15 2 0 0 0 0 14 16 2 0 0 0 0 14 34 1 0 0 0 0 15 16 1 0 0 0 0 15 22 1 0 0 0 0 16 35 1 0 0 0 0 17 20 1 0 0 0 0 17 36 1 0 0 0 0 18 21 2 0 0 0 0 18 37 1 0 0 0 0 19 38 1 0 0 0 0 20 23 2 0 0 0 0 20 39 1 0 0 0 0 21 23 1 0 0 0 0 21 40 1 0 0 0 0 23 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$