BP86DV -OEChem-04042102333D 52 56 0 0 0 0 0 0 0999 V2000 3.9229 1.6164 2.0181 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9621 -4.7651 1.4864 O 0 0 0 0 0 0 0 0 0 0 0 0 4.9769 -0.1409 -3.0435 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3105 0.5407 -0.6848 N 0 0 0 0 0 0 0 0 0 0 0 0 1.7603 0.9878 1.3858 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3433 0.9428 0.1910 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6890 2.1847 0.6801 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1754 2.8983 1.6587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8609 0.1501 0.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1119 1.8965 2.3558 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9172 2.5606 0.0712 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2853 1.5118 -0.7791 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3137 -0.7121 -1.4106 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7561 3.6899 0.1558 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4549 1.5403 -1.5473 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1582 0.9335 1.3381 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0197 -1.7930 -0.6374 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9283 3.7301 -0.6076 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2705 2.6707 -1.4452 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7858 -0.0189 0.4093 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3846 -1.9772 -0.8111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2969 -2.5914 0.2382 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0854 0.3778 -0.8913 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0778 -1.3117 0.8359 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0393 -2.9794 -0.0952 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9516 -3.5937 0.9541 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3228 -3.7877 0.7875 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6813 -0.5250 -1.7718 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6738 -2.2144 -0.0447 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9755 -1.8212 -1.3485 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7721 3.6451 1.1210 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4282 3.4241 2.4060 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5889 -0.6937 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3802 -0.2162 -0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8593 2.4386 2.9436 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5461 1.2631 3.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2802 -0.9994 -1.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7844 -0.5536 -2.3878 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5026 4.5239 0.8041 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7266 0.7385 -2.2231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5776 4.5994 -0.5464 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1830 2.7256 -2.0336 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9574 -1.3742 -1.5064 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2239 -2.4874 0.3497 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8543 1.3889 -1.2181 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8459 -1.6277 1.8495 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1071 -3.1232 -0.2371 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3864 -4.2265 1.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9025 -3.2237 0.2847 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4398 -2.5290 -2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9053 -4.7571 1.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7056 0.7853 -3.1643 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 2 0 0 0 0 2 27 1 0 0 0 0 2 51 1 0 0 0 0 3 28 1 0 0 0 0 3 52 1 0 0 0 0 4 6 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 1 0 0 0 0 5 10 1 0 0 0 0 5 16 1 0 0 0 0 6 7 2 0 0 0 0 6 9 1 0 0 0 0 7 8 1 0 0 0 0 7 11 1 0 0 0 0 8 10 1 0 0 0 0 8 31 1 0 0 0 0 8 32 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 35 1 0 0 0 0 10 36 1 0 0 0 0 11 12 1 0 0 0 0 11 14 2 0 0 0 0 12 15 2 0 0 0 0 13 17 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 18 1 0 0 0 0 14 39 1 0 0 0 0 15 19 1 0 0 0 0 15 40 1 0 0 0 0 16 20 1 0 0 0 0 17 21 2 0 0 0 0 17 22 1 0 0 0 0 18 19 2 0 0 0 0 18 41 1 0 0 0 0 19 42 1 0 0 0 0 20 23 2 0 0 0 0 20 24 1 0 0 0 0 21 25 1 0 0 0 0 21 43 1 0 0 0 0 22 26 2 0 0 0 0 22 44 1 0 0 0 0 23 28 1 0 0 0 0 23 45 1 0 0 0 0 24 29 2 0 0 0 0 24 46 1 0 0 0 0 25 27 2 0 0 0 0 25 47 1 0 0 0 0 26 27 1 0 0 0 0 26 48 1 0 0 0 0 28 30 2 0 0 0 0 29 30 1 0 0 0 0 29 49 1 0 0 0 0 30 50 1 0 0 0 0 M END $$$$