BK9IR7 -OEChem-04012117412D 37 39 0 0 0 0 0 0 0999 V2000 5.5443 -0.5057 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 1.1651 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.2990 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -0.5670 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.7990 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.7010 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -2.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 -1.4330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -0.5670 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 0.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 1.1038 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.7990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8550 2.0543 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.2010 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.2990 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 -2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 -2.5111 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 -2.9096 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 -1.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6028 -1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -1.0345 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6530 -1.8315 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2105 -0.3549 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5202 0.0436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4443 1.8617 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0476 2.6436 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2656 2.2469 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -0.5110 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3100 1.8360 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 1.6090 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6900 0.7621 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 18 2 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 5 18 1 0 0 0 0 5 19 1 0 0 0 0 5 20 1 0 0 0 0 6 16 1 0 0 0 0 6 19 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 21 1 0 0 0 0 7 22 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 13 1 0 0 0 0 13 14 2 0 0 0 0 14 15 1 0 0 0 0 14 17 1 0 0 0 0 15 16 2 0 0 0 0 15 18 1 0 0 0 0 17 31 1 0 0 0 0 17 32 1 0 0 0 0 17 33 1 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 M END $$$$