BH6VR3 -OEChem-04022118543D 36 38 0 1 0 0 0 0 0999 V2000 0.9819 -0.3597 1.2436 S 0 0 0 0 0 0 0 0 0 0 0 0 2.4379 -2.4957 -2.1313 S 0 0 0 0 0 0 0 0 0 0 0 0 1.3677 0.9975 1.6035 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2721 -1.4591 2.1532 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8881 1.7486 -1.0821 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6295 2.5221 0.8393 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6362 -0.7305 -0.2919 N 0 0 1 0 0 0 0 0 0 0 0 0 4.3041 1.1718 0.6522 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0981 -0.5413 -0.4902 C 0 0 1 0 0 0 0 0 0 0 0 0 3.4243 -1.0029 -1.9030 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2202 -2.0352 -0.8747 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7277 -0.3710 0.8887 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4106 0.9084 -0.3526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2834 0.6396 0.1037 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5350 -1.3885 1.3887 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6566 0.6448 -0.1909 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4776 -0.3898 0.3176 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9011 -1.3991 1.1058 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2330 1.6542 -0.9791 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8507 -0.3844 0.0231 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5992 1.6438 -1.2618 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4065 0.6264 -0.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6438 -1.1485 0.2437 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4911 -1.2128 -2.0259 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1312 -0.2756 -2.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1926 -2.8242 -0.1187 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2398 -1.9406 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6459 1.4309 -0.2871 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1286 -2.1890 1.9998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5132 -2.2045 1.5066 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8371 0.4927 1.1831 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6212 2.4594 -1.3807 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5007 -1.1697 0.4034 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0325 2.4304 -1.8726 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4700 0.6189 -0.9821 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0053 2.7524 1.5483 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 12 1 0 0 0 0 2 10 1 0 0 0 0 2 11 1 0 0 0 0 5 13 2 0 0 0 0 6 8 1 0 0 0 0 6 36 1 0 0 0 0 7 9 1 0 0 0 0 7 11 1 0 0 0 0 8 13 1 0 0 0 0 8 31 1 0 0 0 0 9 10 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 10 24 1 0 0 0 0 10 25 1 0 0 0 0 11 26 1 0 0 0 0 11 27 1 0 0 0 0 12 14 2 0 0 0 0 12 15 1 0 0 0 0 14 16 1 0 0 0 0 14 28 1 0 0 0 0 15 18 2 0 0 0 0 15 29 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 18 1 0 0 0 0 17 20 2 0 0 0 0 18 30 1 0 0 0 0 19 21 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 21 22 2 0 0 0 0 21 34 1 0 0 0 0 22 35 1 0 0 0 0 M END $$$$