BKRC52 -OEChem-04012115472D 38 41 0 0 0 0 0 0 0999 V2000 5.4641 -2.3282 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.8282 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 9.2334 -0.1110 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -0.8281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.3281 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8600 -1.3282 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -2.1329 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2764 -0.5234 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.8282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5870 0.4271 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.8281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5655 0.6333 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9192 1.1714 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.3281 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.1718 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.6719 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8762 1.5838 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2298 2.1219 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2083 2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.3282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9875 -1.7205 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3860 -2.4108 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3125 1.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.6381 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 1.7918 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.9819 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4828 1.7117 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8158 2.5834 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4009 2.9175 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8400 0.0169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.7912 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -2.6382 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -2.8651 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 12 1 0 0 0 0 2 14 1 0 0 0 0 2 24 1 0 0 0 0 3 16 1 0 0 0 0 3 35 1 0 0 0 0 4 5 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 8 2 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 7 12 2 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 14 1 0 0 0 0 10 15 2 0 0 0 0 11 13 1 0 0 0 0 13 16 1 0 0 0 0 13 17 2 0 0 0 0 14 18 2 0 0 0 0 15 19 1 0 0 0 0 15 27 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 17 28 1 0 0 0 0 18 20 1 0 0 0 0 18 29 1 0 0 0 0 19 20 2 0 0 0 0 19 30 1 0 0 0 0 20 31 1 0 0 0 0 21 23 1 0 0 0 0 21 32 1 0 0 0 0 22 23 2 0 0 0 0 22 33 1 0 0 0 0 23 34 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 24 38 1 0 0 0 0 M END $$$$