BRI8V2 -OEChem-04042105493D 55 59 0 1 0 0 0 0 0999 V2000 0.4089 2.0058 -1.0893 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4897 -0.4759 -1.5627 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5695 -5.0630 -0.2229 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9397 3.1567 1.4901 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9700 3.9065 0.6303 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5791 0.5325 -0.1009 N 0 0 2 0 0 0 0 0 0 0 0 0 -0.0019 -0.4327 -1.0846 C 0 0 2 0 0 0 0 0 0 0 0 0 0.1435 0.8740 -0.2397 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3496 0.6968 0.7131 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3111 -0.6573 -1.8853 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1745 1.2277 0.4948 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1654 -0.2357 -2.0864 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5657 -0.6252 -0.9986 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1794 -1.6548 -0.1564 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0752 -0.4381 1.7207 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3637 1.3707 -0.4687 C 0 0 1 0 0 0 0 0 0 0 0 0 3.8085 0.5839 0.6836 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9451 1.1238 -0.1224 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3580 -1.6424 1.1521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4442 0.1407 -1.3646 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0757 1.8490 0.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1046 2.6075 -0.3072 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8116 -2.8309 -0.6004 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6604 1.5917 0.3047 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2097 -2.7665 1.9832 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9461 -3.9425 0.2342 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4404 -3.9090 1.5272 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7783 3.0067 0.8025 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4736 1.6321 1.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4128 0.1246 -2.6504 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2797 -1.6112 -2.4278 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4218 0.4707 1.2468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0367 2.1703 1.0390 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3466 -1.1203 -2.7043 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9473 0.5773 -2.7907 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6515 -1.5633 -0.4369 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4287 -0.5977 -1.6736 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4520 -0.0362 2.5308 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 -0.7633 2.1946 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1938 2.2192 -1.1444 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6689 1.2349 1.5568 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0758 -0.4022 1.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2283 0.4763 -0.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0761 1.6949 0.1680 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0279 2.0050 1.6242 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 3.2711 0.1873 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4517 2.9595 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5599 2.7797 -0.5201 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1980 -2.9007 -1.6128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5254 1.4193 -0.3471 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7321 0.9043 1.1552 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6079 -2.7534 2.9952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5425 -4.7695 2.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8590 -4.9134 -1.1393 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0481 4.0708 1.8294 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 48 1 0 0 0 0 2 20 2 0 0 0 0 3 26 1 0 0 0 0 3 54 1 0 0 0 0 4 28 1 0 0 0 0 4 55 1 0 0 0 0 5 28 2 0 0 0 0 6 9 1 0 0 0 0 6 13 1 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 14 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 9 15 1 0 0 0 0 9 29 1 0 0 0 0 10 13 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 16 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 20 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 19 2 0 0 0 0 14 23 1 0 0 0 0 15 19 1 0 0 0 0 15 38 1 0 0 0 0 15 39 1 0 0 0 0 16 20 1 0 0 0 0 16 24 1 0 0 0 0 16 40 1 0 0 0 0 17 18 1 0 0 0 0 17 41 1 0 0 0 0 17 42 1 0 0 0 0 18 21 1 0 0 0 0 18 22 1 0 0 0 0 18 43 1 0 0 0 0 19 25 1 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 21 45 1 0 0 0 0 22 46 1 0 0 0 0 22 47 1 0 0 0 0 23 26 2 0 0 0 0 23 49 1 0 0 0 0 24 28 1 0 0 0 0 24 50 1 0 0 0 0 24 51 1 0 0 0 0 25 27 2 0 0 0 0 25 52 1 0 0 0 0 26 27 1 0 0 0 0 27 53 1 0 0 0 0 M END $$$$