B9P0LE -OEChem-04042105453D 40 42 0 0 0 0 0 0 0999 V2000 1.1217 2.5101 -0.8804 S 0 0 0 0 0 0 0 0 0 0 0 0 3.6450 -2.0202 -0.6990 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5199 3.8547 -0.4871 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9619 2.1900 -2.2917 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9653 0.2885 -1.3659 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1386 -3.5524 0.1790 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3219 2.0963 -0.0547 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8401 -1.4721 1.1861 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3285 0.9993 0.3917 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2559 1.3642 -0.2054 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0407 -0.4013 0.8851 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 -0.7478 -0.2456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4273 0.1186 -0.8185 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9853 1.7088 0.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8982 0.8141 1.5148 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4209 0.1027 0.3360 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4753 0.2030 1.2437 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4352 -0.8913 -0.6424 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5039 -1.7850 -0.7134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2135 1.0360 -0.4277 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5440 -0.6906 1.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5583 -1.6846 0.1943 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6053 -2.4513 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4868 1.2578 2.3022 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5196 -2.8478 -1.7593 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8770 -0.1716 -1.7059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8442 2.6751 1.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4606 1.0717 2.4041 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5997 2.7052 0.7252 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4826 -1.5268 1.9665 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6552 -1.0278 -1.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3625 1.7046 1.1215 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3738 -0.6267 1.8717 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3982 -2.3729 0.1501 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3844 1.1957 2.9275 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4763 2.2557 1.8515 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6231 1.1462 2.9662 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7297 -2.4082 -2.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5539 -3.3630 -1.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2828 -3.6064 -1.5553 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 10 1 0 0 0 0 2 12 1 0 0 0 0 2 23 1 0 0 0 0 5 20 2 0 0 0 0 6 23 2 0 0 0 0 7 20 1 0 0 0 0 7 29 1 0 0 0 0 8 11 1 0 0 0 0 8 23 1 0 0 0 0 8 30 1 0 0 0 0 9 16 1 0 0 0 0 9 20 1 0 0 0 0 9 32 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 12 13 1 0 0 0 0 13 26 1 0 0 0 0 14 15 2 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 21 1 0 0 0 0 17 24 1 0 0 0 0 18 19 2 0 0 0 0 18 31 1 0 0 0 0 19 22 1 0 0 0 0 19 25 1 0 0 0 0 21 22 2 0 0 0 0 21 33 1 0 0 0 0 22 34 1 0 0 0 0 24 35 1 0 0 0 0 24 36 1 0 0 0 0 24 37 1 0 0 0 0 25 38 1 0 0 0 0 25 39 1 0 0 0 0 25 40 1 0 0 0 0 M END $$$$