BMRJ19 -OEChem-04022101352D 42 45 0 0 0 0 0 0 0999 V2000 7.5013 -0.4442 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1871 0.8382 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 1.2507 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -2.4661 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.1441 2.8601 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5605 2.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0904 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8335 0.3001 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 1.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8224 2.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -0.8566 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8224 1.5554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 0.0939 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -1.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6884 3.0554 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.1613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.6613 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3952 3.4270 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 3.1694 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 2.4701 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0996 1.6407 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 3.6754 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9564 0.4354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3593 1.2454 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7479 -1.6613 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 -3.0554 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.0413 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9984 2.5184 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2254 3.3654 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3784 3.5923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.2813 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -2.4713 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 -0.1244 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 -0.3513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 -1.1983 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 16 2 0 0 0 0 3 6 1 0 0 0 0 3 8 1 0 0 0 0 3 10 1 0 0 0 0 4 17 1 0 0 0 0 4 18 1 0 0 0 0 4 33 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 25 1 0 0 0 0 5 26 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 7 8 2 0 0 0 0 7 9 1 0 0 0 0 8 11 1 0 0 0 0 9 12 2 0 0 0 0 9 29 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 30 1 0 0 0 0 12 14 1 0 0 0 0 12 20 1 0 0 0 0 13 15 1 0 0 0 0 13 16 1 0 0 0 0 13 18 2 0 0 0 0 14 31 1 0 0 0 0 15 17 2 0 0 0 0 15 19 1 0 0 0 0 17 22 1 0 0 0 0 18 32 1 0 0 0 0 19 21 2 0 0 0 0 19 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 23 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$