BL1JX8 -OEChem-04042105483D 42 44 0 0 0 0 0 0 0999 V2000 0.7062 -2.4572 -0.9928 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0175 -0.3873 -0.1512 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1407 -1.3103 0.3845 N 0 0 0 0 0 0 0 0 0 0 0 0 0.3448 0.9944 -0.3574 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4377 -0.6323 -0.2410 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9237 -1.4404 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1561 2.0398 0.4420 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3546 -0.0093 0.6310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2986 -0.5623 1.6304 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2700 -2.1500 0.0099 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9925 1.8148 1.6239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9596 0.8962 1.7137 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2331 1.3085 -1.4065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9434 -1.5146 -1.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2531 3.3606 0.1863 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7259 -0.3126 0.5345 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0541 -1.4408 2.8398 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1278 -1.4868 -1.0478 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6169 2.6257 -1.6567 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3085 -1.7922 -1.3112 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 3.6521 -0.8600 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2001 -1.1958 -0.4316 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3085 -0.1380 1.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6023 0.2700 1.6894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8793 -2.3746 0.8917 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9071 -3.1084 -0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8161 2.4691 2.4743 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5383 0.8384 2.6323 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6249 0.5273 -2.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3001 -1.9721 -1.9612 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1039 4.1801 0.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4427 0.1441 1.2147 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1593 -0.8573 3.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0435 -1.8629 2.8189 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7608 -2.2747 2.8894 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5526 -1.2971 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 -0.5266 -0.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9770 -2.1262 -1.3077 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2985 2.8470 -2.4726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6718 -2.4697 -2.0784 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4285 4.6785 -1.0466 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2619 -1.4122 -0.4987 H 0 0 0 0 0 0 0 0 0 0 0 0 1 6 2 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 6 1 0 0 0 0 3 6 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 4 7 1 0 0 0 0 4 13 2 0 0 0 0 5 8 1 0 0 0 0 5 14 2 0 0 0 0 7 11 1 0 0 0 0 7 15 2 0 0 0 0 8 12 1 0 0 0 0 8 16 2 0 0 0 0 9 17 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 18 1 0 0 0 0 10 25 1 0 0 0 0 10 26 1 0 0 0 0 11 12 2 0 0 0 0 11 27 1 0 0 0 0 12 28 1 0 0 0 0 13 19 1 0 0 0 0 13 29 1 0 0 0 0 14 20 1 0 0 0 0 14 30 1 0 0 0 0 15 21 1 0 0 0 0 15 31 1 0 0 0 0 16 22 1 0 0 0 0 16 32 1 0 0 0 0 17 33 1 0 0 0 0 17 34 1 0 0 0 0 17 35 1 0 0 0 0 18 36 1 0 0 0 0 18 37 1 0 0 0 0 18 38 1 0 0 0 0 19 21 2 0 0 0 0 19 39 1 0 0 0 0 20 22 2 0 0 0 0 20 40 1 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$