BR6J3X -OEChem-04022105253D 39 41 0 0 0 0 0 0 0999 V2000 -4.1968 -2.5974 -0.4036 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.1849 -2.0557 -1.0629 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8922 -1.4852 0.9517 F 0 0 0 0 0 0 0 0 0 0 0 0 1.7826 -4.3522 0.5426 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7808 -0.4287 -0.8718 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9188 -1.5794 0.1032 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8551 0.4976 0.0465 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2464 0.3331 -0.0638 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1510 2.6147 -0.0158 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1878 2.4856 -0.1247 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5716 2.8071 -0.3115 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7785 -2.1600 0.8245 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1393 -2.3922 0.0854 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5746 -3.6087 0.3969 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8037 -3.8276 -0.3024 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0110 -0.1854 0.0251 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0209 1.8277 -0.0321 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5173 2.2868 0.0693 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2575 1.6740 -0.1351 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9778 1.0767 -0.4493 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4108 3.1721 0.6724 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3317 0.7518 -0.3649 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7647 2.8473 0.7568 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2251 1.6370 0.2381 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5317 2.2980 -0.2323 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2466 -1.6369 -0.3421 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1545 -1.6182 0.6387 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9880 -2.1162 1.9003 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5918 -2.3721 1.0843 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8721 -2.0091 -0.6342 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2322 -3.6716 -0.6433 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1890 -4.0789 1.0246 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6901 -4.4605 -0.1934 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4783 -3.8913 -1.3480 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0489 3.6076 0.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3169 0.3915 -0.9701 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0646 4.1179 1.0813 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4603 3.5364 1.2266 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2808 1.3893 0.3070 H 0 0 0 0 0 0 0 0 0 0 0 0 1 26 1 0 0 0 0 2 26 1 0 0 0 0 3 26 1 0 0 0 0 4 14 1 0 0 0 0 4 15 1 0 0 0 0 5 22 1 0 0 0 0 5 26 1 0 0 0 0 6 12 1 0 0 0 0 6 13 1 0 0 0 0 6 16 1 0 0 0 0 7 16 1 0 0 0 0 7 17 2 0 0 0 0 8 16 2 0 0 0 0 8 19 1 0 0 0 0 9 17 1 0 0 0 0 9 18 1 0 0 0 0 9 35 1 0 0 0 0 10 17 1 0 0 0 0 10 19 2 0 0 0 0 11 25 3 0 0 0 0 12 14 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 13 15 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 14 31 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 18 20 2 0 0 0 0 18 21 1 0 0 0 0 19 25 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 23 2 0 0 0 0 21 37 1 0 0 0 0 22 24 2 0 0 0 0 23 24 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 M END $$$$