BL91AR -OEChem-04022118063D 45 45 0 1 0 0 0 0 0999 V2000 -3.3371 2.6457 0.0055 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9063 -2.3361 -1.4314 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8232 2.6942 1.0098 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2546 1.6580 0.1713 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1560 -1.2000 0.6092 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5364 -0.6164 -0.3629 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.5452 -1.2383 0.6535 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2932 -1.8681 0.0355 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8458 -0.2115 0.3502 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9393 0.5660 -1.1520 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4100 -2.5230 1.1032 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8210 -3.2091 0.5087 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9216 0.3064 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5508 1.7440 -0.2746 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7014 -2.2109 -0.2271 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9900 -0.1092 0.2685 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3527 0.8220 1.2418 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4495 0.0354 -1.0404 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1748 1.8977 0.9060 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2716 1.1110 -1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 2.0422 -0.4032 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7878 -1.3979 -1.0931 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2579 -0.4973 1.4084 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0774 -2.0264 1.2035 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7192 -1.1186 -0.5135 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5988 -2.6278 -0.6945 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6518 0.5351 1.1287 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2488 -1.0927 0.8657 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6405 0.9298 -1.9112 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0600 0.2354 -1.7175 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1256 -1.7744 1.8510 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9964 -3.2812 1.6373 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5211 -3.9988 -0.1892 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4132 -3.6764 1.3036 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0901 -0.3911 -1.4218 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6644 1.2850 -1.0097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8668 0.4222 -0.0546 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6069 0.8942 0.0265 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8968 -1.2444 1.5916 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0010 0.7216 2.2654 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2142 -0.6443 -1.8472 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3497 3.2491 0.3671 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4570 2.6229 1.6636 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 1.2245 -2.3953 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2743 2.8798 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 1 14 2 0 0 0 0 2 15 2 0 0 0 0 3 4 1 0 0 0 0 3 42 1 0 0 0 0 4 14 1 0 0 0 0 4 38 1 0 0 0 0 5 15 1 0 0 0 0 5 16 1 0 0 0 0 5 39 1 0 0 0 0 6 7 1 0 0 0 0 6 9 1 0 0 0 0 6 10 1 0 0 0 0 6 22 1 0 0 0 0 7 8 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 11 1 0 0 0 0 8 25 1 0 0 0 0 8 26 1 0 0 0 0 9 13 1 0 0 0 0 9 27 1 0 0 0 0 9 28 1 0 0 0 0 10 14 1 0 0 0 0 10 29 1 0 0 0 0 10 30 1 0 0 0 0 11 12 1 0 0 0 0 11 31 1 0 0 0 0 11 32 1 0 0 0 0 12 15 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 16 17 2 0 0 0 0 16 18 1 0 0 0 0 17 19 1 0 0 0 0 17 40 1 0 0 0 0 18 20 2 0 0 0 0 18 41 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 20 44 1 0 0 0 0 21 45 1 0 0 0 0 M END $$$$