B1NF4G -OEChem-04022105072D 50 53 0 1 0 0 0 0 0999 V2000 6.8747 -0.5796 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -3.8802 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9511 1.7879 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0337 0.7076 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.3427 1.6586 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3395 1.0677 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 0.1198 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 9.6517 0.7076 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3427 1.6586 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -0.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9305 2.4676 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0826 0.3986 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7087 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9766 -1.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9250 2.3631 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5237 3.3812 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7087 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9766 -2.3802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8427 -2.8802 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3884 0.7587 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5128 3.1721 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1115 4.1902 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1060 4.0857 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6453 1.4278 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1805 -0.2195 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6942 1.1188 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2294 -0.5285 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4863 0.1406 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4789 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2902 -0.1617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9617 0.1706 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2181 0.9598 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2456 -1.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4397 -1.0702 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1772 1.7967 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9071 3.4460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2456 -2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4397 -2.6902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4684 1.6741 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1294 3.1073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8593 4.7566 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4705 4.5873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7742 2.0342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6412 -0.6343 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3796 -4.1902 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1005 -1.1349 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8966 -0.0510 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8084 2.0686 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4103 1.2873 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1916 0.8892 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 19 1 0 0 0 0 2 45 1 0 0 0 0 3 26 1 0 0 0 0 3 29 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 5 9 2 0 0 0 0 6 12 1 0 0 0 0 6 20 1 0 0 0 0 6 39 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 11 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 33 1 0 0 0 0 14 18 2 0 0 0 0 14 34 1 0 0 0 0 15 21 1 0 0 0 0 15 35 1 0 0 0 0 16 22 2 0 0 0 0 16 36 1 0 0 0 0 17 19 2 0 0 0 0 17 37 1 0 0 0 0 18 19 1 0 0 0 0 18 38 1 0 0 0 0 20 24 2 0 0 0 0 20 25 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 42 1 0 0 0 0 24 26 1 0 0 0 0 24 43 1 0 0 0 0 25 27 2 0 0 0 0 25 44 1 0 0 0 0 26 28 2 0 0 0 0 27 28 1 0 0 0 0 27 46 1 0 0 0 0 28 47 1 0 0 0 0 29 48 1 0 0 0 0 29 49 1 0 0 0 0 29 50 1 0 0 0 0 M END $$$$