B7I2LJ -OEChem-04022110223D 52 53 0 1 0 0 0 0 0999 V2000 0.5885 3.9738 1.8276 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3496 -0.2299 0.3577 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1363 -0.1749 -0.8541 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5952 -1.3790 0.3005 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0744 2.3248 0.3773 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5742 -1.0343 -1.6847 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1112 -3.0368 0.8328 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7576 -2.7512 3.1053 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.9854 -2.2682 1.7183 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0170 1.1516 -0.4689 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.4784 1.3591 -0.7751 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4763 2.5882 0.1372 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9683 1.3657 -1.6366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4441 1.3162 -1.2258 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4731 0.2942 -0.3664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8399 2.9765 1.1530 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8800 2.4049 -0.2333 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2186 2.3540 1.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8889 0.6376 -0.8252 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8375 -0.0527 -0.7446 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8819 -0.4165 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8799 -2.4312 -1.4761 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6394 -3.3192 -1.5429 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5643 -2.9532 -0.5227 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3197 -2.6997 1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2161 0.2463 0.1146 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6362 1.6316 -1.8297 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6536 3.5417 -0.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0789 2.5284 1.0477 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7734 2.3376 -2.1108 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7467 0.6213 -2.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0306 1.4884 -2.1406 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1820 -0.6602 -0.8230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4504 0.1362 0.7188 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7045 3.3888 -0.6875 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9656 2.3238 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8329 2.9373 1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1427 1.3499 1.5677 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2032 1.5952 -0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9172 0.7176 -1.9175 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2399 -0.7730 -2.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5762 -2.7222 -2.2701 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4016 -2.5644 -0.5227 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9475 -4.3608 -1.3909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2016 -3.2576 -2.5469 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7712 -0.8623 -0.5597 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2692 -3.6575 -0.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1872 -1.9475 -0.7352 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7004 -3.0506 3.3293 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1548 -2.4912 3.8782 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4729 -2.1942 0.8332 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5101 -2.0220 2.5507 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 20 2 0 0 0 0 3 21 1 0 0 0 0 3 46 1 0 0 0 0 4 21 2 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 16 1 0 0 0 0 6 20 1 0 0 0 0 6 22 1 0 0 0 0 6 41 1 0 0 0 0 7 24 1 0 0 0 0 7 25 2 0 0 0 0 8 25 1 0 0 0 0 8 49 1 0 0 0 0 8 50 1 0 0 0 0 9 25 1 0 0 0 0 9 51 1 0 0 0 0 9 52 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 26 1 0 0 0 0 11 12 1 0 0 0 0 11 15 1 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 12 29 1 0 0 0 0 13 14 1 0 0 0 0 13 30 1 0 0 0 0 13 31 1 0 0 0 0 14 17 1 0 0 0 0 14 20 1 0 0 0 0 14 32 1 0 0 0 0 15 19 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 17 18 1 0 0 0 0 17 35 1 0 0 0 0 17 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 1 0 0 0 0 19 39 1 0 0 0 0 19 40 1 0 0 0 0 22 23 1 0 0 0 0 22 42 1 0 0 0 0 22 43 1 0 0 0 0 23 24 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 M END $$$$