B7XWN8 -OEChem-04012112593D 54 57 0 1 0 0 0 0 0999 V2000 -4.1989 2.7477 1.4005 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7179 -0.1177 -0.5242 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2699 -3.9394 1.0291 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0661 -0.3629 -2.0709 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1806 2.0728 0.4717 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9388 -0.3420 0.2366 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 -2.4623 -0.5597 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8360 -0.0743 0.7317 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4974 -0.4411 -0.6986 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2714 0.9887 -0.2467 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.4836 -0.2287 -0.0928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4677 1.2284 -0.4872 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6734 -0.9138 0.2351 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5690 2.0278 0.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7901 1.1665 -0.1930 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2544 -0.9168 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5726 -2.2730 0.5970 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1867 -2.2617 0.2795 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3764 2.9653 1.2949 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3475 -2.9406 0.6196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0938 -2.9502 0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4034 -3.0519 -0.6747 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4067 -2.4473 0.3050 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4964 0.1546 -1.0512 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6123 -0.9678 0.0839 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2557 1.1683 0.3318 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2933 0.9127 -0.5606 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8299 2.4550 0.6639 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9568 1.9927 -1.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5013 3.5180 0.0508 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5461 3.2931 -0.8484 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9665 1.1045 -1.2922 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9098 1.3438 -1.4825 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4397 1.6023 -0.5696 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6993 -0.9299 0.5631 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1401 1.0549 0.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0786 2.1656 -0.5389 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6459 -0.3543 -0.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4687 -2.8319 0.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9929 3.5303 1.9982 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6517 2.3684 1.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8487 3.6658 0.6412 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3271 -3.9907 0.8987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3259 -4.1311 -0.5041 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7338 -2.8965 -1.7079 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0775 -2.6207 1.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3723 -2.9542 0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8880 -1.6914 -1.1874 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0864 -0.2712 1.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0180 2.6268 1.3615 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7696 1.8286 -1.8672 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2084 -0.7770 -1.0599 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2033 4.5384 0.2792 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0488 4.1398 -1.3089 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 24 1 0 0 0 0 2 52 1 0 0 0 0 3 21 2 0 0 0 0 4 24 2 0 0 0 0 5 12 1 0 0 0 0 5 14 1 0 0 0 0 5 19 1 0 0 0 0 6 10 1 0 0 0 0 6 13 1 0 0 0 0 6 35 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 7 48 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 8 49 1 0 0 0 0 9 25 2 0 0 0 0 9 27 1 0 0 0 0 10 14 1 0 0 0 0 10 15 1 0 0 0 0 10 32 1 0 0 0 0 11 12 1 0 0 0 0 11 13 2 0 0 0 0 11 16 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 17 1 0 0 0 0 15 24 1 0 0 0 0 15 36 1 0 0 0 0 15 37 1 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 20 2 0 0 0 0 17 39 1 0 0 0 0 18 20 1 0 0 0 0 18 21 1 0 0 0 0 19 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 20 43 1 0 0 0 0 22 23 1 0 0 0 0 22 44 1 0 0 0 0 22 45 1 0 0 0 0 23 25 1 0 0 0 0 23 46 1 0 0 0 0 23 47 1 0 0 0 0 26 27 1 0 0 0 0 26 28 2 0 0 0 0 27 29 2 0 0 0 0 28 30 1 0 0 0 0 28 50 1 0 0 0 0 29 31 1 0 0 0 0 29 51 1 0 0 0 0 30 31 2 0 0 0 0 30 53 1 0 0 0 0 31 54 1 0 0 0 0 M END $$$$