BU1V2D -OEChem-04042104213D 60 62 0 1 0 0 0 0 0999 V2000 -2.8017 -1.1179 -1.4623 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.4484 0.0319 0.5047 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5947 -2.3906 1.8354 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9008 -3.8075 0.1635 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9920 -2.9884 -0.8363 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3233 -0.5847 -2.5172 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1639 0.4179 2.4156 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6820 -2.4377 0.4397 O 0 0 0 0 0 0 0 0 0 0 0 0 5.9344 -2.4961 0.6812 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8545 1.7181 -2.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8862 2.2745 -0.1681 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5181 0.1294 0.1422 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.1361 -3.0282 0.6793 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0407 -3.1565 -0.3845 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.3079 -2.2047 0.1394 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.6501 -1.7789 -0.9298 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8415 -0.8917 -0.5057 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6277 -1.8886 -2.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6405 1.3602 0.2325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5712 2.2554 0.2068 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9350 1.8127 -0.0224 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2192 1.8061 0.4718 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7963 3.6031 -0.0737 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1603 3.1604 -0.3031 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0910 4.0555 -0.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9079 1.2160 1.6967 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2289 1.9642 -0.4979 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3836 0.9419 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3934 0.7838 1.9520 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0725 1.5321 -0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8744 -0.3593 0.2444 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7402 0.4912 1.2484 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6762 -0.0040 -1.0108 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9068 -1.8605 0.4790 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1288 1.4410 -1.0295 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4599 -4.0301 0.9846 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4180 -3.7762 -1.2079 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0122 -1.9758 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2122 -1.1577 -0.1415 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6832 -0.5044 -1.0916 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0361 -2.4536 -2.9018 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2966 -2.3643 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3061 -2.3280 2.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1910 -4.6721 0.5009 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3153 -3.7916 -0.3937 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3336 -0.6766 -3.2282 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7845 1.1360 0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9791 4.3205 -0.0920 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1690 3.5139 -0.4961 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2670 5.1053 -0.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6620 1.0895 2.4700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4506 2.4212 -1.4595 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6145 0.3233 2.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8190 1.6990 -1.0137 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3244 0.0924 1.1371 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0882 0.0883 -0.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0853 -0.1931 -1.9149 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5846 -0.6164 -1.0626 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7274 -3.4057 0.5917 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1505 2.6532 -2.1649 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 2 19 1 0 0 0 0 3 13 1 0 0 0 0 3 43 1 0 0 0 0 4 14 1 0 0 0 0 4 44 1 0 0 0 0 5 15 1 0 0 0 0 5 45 1 0 0 0 0 6 18 1 0 0 0 0 6 46 1 0 0 0 0 7 32 2 0 0 0 0 8 34 1 0 0 0 0 8 59 1 0 0 0 0 9 34 2 0 0 0 0 10 35 1 0 0 0 0 10 60 1 0 0 0 0 11 35 2 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 12 56 1 0 0 0 0 13 14 1 0 0 0 0 13 15 1 0 0 0 0 13 36 1 0 0 0 0 14 16 1 0 0 0 0 14 37 1 0 0 0 0 15 17 1 0 0 0 0 15 38 1 0 0 0 0 16 18 1 0 0 0 0 16 39 1 0 0 0 0 17 40 1 0 0 0 0 18 41 1 0 0 0 0 18 42 1 0 0 0 0 19 20 1 0 0 0 0 19 21 2 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 21 24 1 0 0 0 0 21 47 1 0 0 0 0 22 26 2 0 0 0 0 22 27 1 0 0 0 0 23 25 1 0 0 0 0 23 48 1 0 0 0 0 24 25 2 0 0 0 0 24 49 1 0 0 0 0 25 50 1 0 0 0 0 26 29 1 0 0 0 0 26 51 1 0 0 0 0 27 30 2 0 0 0 0 27 52 1 0 0 0 0 28 29 2 0 0 0 0 28 30 1 0 0 0 0 28 32 1 0 0 0 0 29 53 1 0 0 0 0 30 54 1 0 0 0 0 31 33 1 0 0 0 0 31 34 1 0 0 0 0 31 55 1 0 0 0 0 33 35 1 0 0 0 0 33 57 1 0 0 0 0 33 58 1 0 0 0 0 M END $$$$