B3VOB0 -OEChem-04022102522D 58 61 0 0 0 0 0 0 0999 V2000 8.9098 -2.2673 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.2125 0.7525 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 1.7871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 3.7871 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 2.2663 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 3.8218 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 8.0611 -0.7574 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0727 0.2426 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9213 -1.2674 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7584 -3.7772 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7699 -2.7773 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2241 1.7525 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6186 -4.2872 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5981 3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3301 3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 3.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6070 -5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 4.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 3.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1301 3.3079 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 0.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.2871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 3.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 0.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 4.7871 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4518 -0.6427 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8424 -1.3375 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6820 0.1278 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2915 0.8227 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5306 -1.3821 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1401 -0.6872 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1491 -3.6625 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5396 -4.3573 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3792 -2.8920 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9887 -2.1972 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6720 0.4488 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2279 -4.4019 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8373 -3.7071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9870 -5.2800 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5998 -5.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2270 -5.2943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 0.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2690 5.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 2.6671 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6659 3.6200 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 2.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 -0.3329 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8660 5.9071 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 3.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 0.4771 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4631 5.0971 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 11 1 0 0 0 0 2 8 1 0 0 0 0 2 12 1 0 0 0 0 2 42 1 0 0 0 0 3 14 1 0 0 0 0 3 15 2 0 0 0 0 4 16 2 0 0 0 0 4 17 1 0 0 0 0 5 12 2 0 0 0 0 5 25 1 0 0 0 0 6 17 1 0 0 0 0 6 25 2 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 32 1 0 0 0 0 7 33 1 0 0 0 0 8 34 1 0 0 0 0 8 35 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 11 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 14 1 0 0 0 0 13 20 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 17 2 0 0 0 0 15 16 1 0 0 0 0 15 18 1 0 0 0 0 16 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 23 2 0 0 0 0 19 24 1 0 0 0 0 20 45 1 0 0 0 0 20 46 1 0 0 0 0 20 47 1 0 0 0 0 21 26 1 0 0 0 0 21 48 1 0 0 0 0 22 27 2 0 0 0 0 22 49 1 0 0 0 0 23 28 1 0 0 0 0 23 50 1 0 0 0 0 24 29 2 0 0 0 0 24 51 1 0 0 0 0 25 52 1 0 0 0 0 26 30 2 0 0 0 0 26 53 1 0 0 0 0 27 30 1 0 0 0 0 27 54 1 0 0 0 0 28 31 2 0 0 0 0 28 55 1 0 0 0 0 29 31 1 0 0 0 0 29 56 1 0 0 0 0 30 57 1 0 0 0 0 31 58 1 0 0 0 0 M END $$$$