B9SPB1 -OEChem-04022106492D 55 58 0 1 0 0 0 0 0999 V2000 3.3660 1.8487 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.4827 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.3660 0.1166 0.0000 F 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -0.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 -2.5173 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.4827 0.0000 N 0 0 3 0 0 0 0 0 0 0 0 0 3.7320 -2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -1.0173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -2.5173 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 -3.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 -0.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 1.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.4827 0.0000 C 0 0 3 0 0 0 0 0 0 0 0 0 2.8660 -4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.5173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 -1.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1962 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 2.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 -2.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 1.9480 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.9827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.4827 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0901 4.0173 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 2.4618 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9962 3.5035 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5422 0.4001 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9407 1.0903 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9966 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1996 1.4576 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9441 -4.0999 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3426 -3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -1.5424 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4675 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2646 -4.4923 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7880 -1.9347 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3894 -2.6250 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0611 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8671 -0.7073 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 2.1727 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 1.3280 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 4.6027 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9272 3.7927 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0829 4.6373 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1951 -0.8273 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 2.1498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5319 3.8156 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 25 1 0 0 0 0 2 25 1 0 0 0 0 3 25 1 0 0 0 0 4 19 1 0 0 0 0 4 20 1 0 0 0 0 5 18 1 0 0 0 0 5 53 1 0 0 0 0 6 26 2 0 0 0 0 7 11 1 0 0 0 0 7 12 1 0 0 0 0 7 15 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 8 16 1 0 0 0 0 9 15 1 0 0 0 0 9 26 1 0 0 0 0 9 47 1 0 0 0 0 10 16 2 0 0 0 0 10 26 1 0 0 0 0 11 17 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 18 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 19 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 20 1 0 0 0 0 14 39 1 0 0 0 0 14 40 1 0 0 0 0 15 21 2 0 0 0 0 16 21 1 0 0 0 0 17 22 1 0 0 0 0 17 24 2 0 0 0 0 18 25 1 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 44 1 0 0 0 0 20 45 1 0 0 0 0 21 46 1 0 0 0 0 22 23 1 0 0 0 0 22 27 2 0 0 0 0 23 28 1 0 0 0 0 23 30 2 0 0 0 0 24 29 1 0 0 0 0 24 48 1 0 0 0 0 27 31 1 0 0 0 0 27 49 1 0 0 0 0 28 29 2 0 0 0 0 28 50 1 0 0 0 0 29 51 1 0 0 0 0 30 32 1 0 0 0 0 30 52 1 0 0 0 0 31 32 2 0 0 0 0 31 54 1 0 0 0 0 32 55 1 0 0 0 0 M END $$$$