B1LWZ4 -OEChem-04022106382D 40 43 0 1 0 0 0 0 0999 V2000 7.1279 -0.5000 0.0000 S 0 0 1 0 0 0 0 0 0 0 0 0 2.0000 0.5000 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 0.3660 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 0.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -2.2320 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5443 -1.3047 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 1.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9939 1.7320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1279 2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6279 0.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6279 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6279 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6279 -1.3660 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1279 -0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1279 -2.2320 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -1.5000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -1.0000 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5290 1.3925 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3925 1.2571 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3925 2.2070 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3400 2.8147 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5173 2.3397 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5202 -0.2446 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2105 0.1540 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8179 0.0369 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2479 -1.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0453 -1.5781 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7356 -1.9766 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7369 0.8941 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4379 -2.7690 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -2.1200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3291 -1.3100 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 16 1 1 0 0 0 1 17 1 0 0 0 0 2 23 1 0 0 0 0 3 11 1 0 0 0 0 3 12 1 0 0 0 0 5 17 1 0 0 0 0 5 18 1 0 0 0 0 5 36 1 0 0 0 0 6 15 2 0 0 0 0 6 19 1 0 0 0 0 7 17 2 0 0 0 0 7 20 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 11 30 1 0 0 0 0 11 31 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 15 1 0 0 0 0 13 32 1 0 0 0 0 14 19 2 0 0 0 0 14 33 1 0 0 0 0 15 16 1 0 0 0 0 16 34 1 0 0 0 0 16 35 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 37 1 0 0 0 0 20 22 1 0 0 0 0 21 23 2 0 0 0 0 21 38 1 0 0 0 0 22 24 2 0 0 0 0 22 39 1 0 0 0 0 23 24 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$