B3UBO1 -OEChem-04012113113D 41 44 0 0 0 0 0 0 0999 V2000 1.4779 -1.2803 -1.2854 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1285 -0.5196 0.4584 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6188 -0.2733 0.2905 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0738 1.6625 0.2564 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0508 0.2938 0.5318 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3080 2.2293 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2134 -0.3933 0.9409 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2926 0.0576 0.0918 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4357 1.4043 -0.2051 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0698 2.4734 0.3440 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3702 3.6032 -0.4085 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0169 -0.9375 -0.2353 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4211 -0.8406 0.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9900 3.8360 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2274 4.3996 -0.3181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4994 -1.0595 -0.1075 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2495 -2.1781 -0.2937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0363 -1.2942 1.1374 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2705 -0.9321 -1.2398 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4215 -1.4077 1.2566 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6556 -1.0459 -1.1206 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3803 -2.9858 -0.3411 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2310 -1.2835 0.1276 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6952 -1.0894 0.2348 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6303 -2.4388 -0.0731 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8221 0.2453 1.5867 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9501 -1.2628 1.5591 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3919 1.8243 -0.5063 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0456 2.0835 0.6161 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3099 4.0649 -0.7039 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8782 4.4577 0.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2877 5.4607 -0.5421 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 -2.6101 -0.5134 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4273 -1.4133 2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8362 -0.7414 -2.2163 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8697 -1.5971 2.2277 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2864 -0.9481 -1.9994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2883 -4.0391 -0.5886 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3095 -1.3727 0.2203 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6463 -0.6143 0.4516 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5254 -3.0493 -0.1048 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 2 0 0 0 0 2 5 2 0 0 0 0 2 8 1 0 0 0 0 3 13 1 0 0 0 0 3 24 2 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 10 2 0 0 0 0 5 7 1 0 0 0 0 6 9 1 0 0 0 0 6 11 2 0 0 0 0 7 12 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 9 2 0 0 0 0 8 13 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 11 15 1 0 0 0 0 11 30 1 0 0 0 0 12 16 1 0 0 0 0 13 17 2 0 0 0 0 14 15 2 0 0 0 0 14 31 1 0 0 0 0 15 32 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 22 1 0 0 0 0 17 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 23 1 0 0 0 0 21 37 1 0 0 0 0 22 25 2 0 0 0 0 22 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 40 1 0 0 0 0 25 41 1 0 0 0 0 M END $$$$