B0REW7 -OEChem-04022103192D 42 46 0 0 0 0 0 0 0999 V2000 3.3159 2.8263 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 4.9190 -3.9235 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2804 -2.2599 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1978 -3.4623 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6978 -2.5963 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7431 1.0813 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4374 1.4414 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8986 3.1627 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3669 -1.8532 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 -1.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -2.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1590 -0.8750 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1464 -0.7599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -0.2599 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1759 -3.2544 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 -2.2946 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7724 -0.2252 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9021 -0.2059 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2079 -0.5660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 0.7723 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 -1.7807 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6785 -0.7391 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 2.4196 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4204 3.8208 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3986 4.0287 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 -2.8799 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6095 -0.4499 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0125 0.3601 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7653 -2.9145 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7653 0.3947 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4918 -0.3975 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9456 -4.0287 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7472 -0.9808 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 -2.0928 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2142 -0.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 0.6038 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0270 1.2498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9597 4.2357 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6507 4.5951 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 1 27 1 0 0 0 0 2 17 2 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 17 1 0 0 0 0 4 5 1 0 0 0 0 4 17 1 0 0 0 0 4 35 1 0 0 0 0 5 10 2 0 0 0 0 6 22 2 0 0 0 0 6 25 1 0 0 0 0 7 22 1 0 0 0 0 7 26 1 0 0 0 0 7 40 1 0 0 0 0 8 26 2 0 0 0 0 8 28 1 0 0 0 0 9 12 2 0 0 0 0 9 15 1 0 0 0 0 10 14 1 0 0 0 0 11 12 1 0 0 0 0 11 13 1 0 0 0 0 11 18 2 0 0 0 0 12 29 1 0 0 0 0 13 16 1 0 0 0 0 13 19 2 0 0 0 0 14 20 2 0 0 0 0 14 21 1 0 0 0 0 15 16 2 0 0 0 0 15 30 1 0 0 0 0 16 31 1 0 0 0 0 18 23 1 0 0 0 0 18 32 1 0 0 0 0 19 24 1 0 0 0 0 19 33 1 0 0 0 0 20 22 1 0 0 0 0 20 34 1 0 0 0 0 21 25 2 0 0 0 0 21 36 1 0 0 0 0 23 24 2 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 25 39 1 0 0 0 0 27 28 2 0 0 0 0 27 41 1 0 0 0 0 28 42 1 0 0 0 0 M END $$$$