BM3P7D -OEChem-04022112223D 41 41 0 0 0 0 0 0 0999 V2000 2.3385 1.3117 -0.0149 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.4330 -0.1752 0.0413 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4554 -0.7567 -0.0179 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4690 -0.5293 -0.0452 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6719 0.4153 -0.0254 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1521 0.2471 -0.0646 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9891 -0.3615 0.0281 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0482 -0.6962 -0.0509 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1888 0.5843 0.0106 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3499 0.0843 -0.0306 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5854 0.7135 -0.0086 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8206 -0.3855 0.0020 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8104 -1.3682 0.0127 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1767 0.9631 0.0112 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8369 -0.0498 0.0141 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1565 -1.0023 0.0327 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5225 1.3291 0.0310 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5124 0.3463 0.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8648 -0.6699 0.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5257 -1.1803 -0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4988 -1.1780 0.8387 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6532 1.0493 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6044 1.0807 0.8439 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1150 0.8856 -0.9562 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1108 0.9139 0.8061 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0128 -0.9783 0.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0445 -1.0451 -0.8286 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0382 -1.3367 -0.9403 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0163 -1.3395 0.8362 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1340 1.2588 0.8739 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1471 1.1972 -0.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4650 -0.7347 0.8938 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2800 -1.7593 -0.0257 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5711 1.4044 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5566 1.3163 -0.9241 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5468 -2.4227 0.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4687 1.7798 0.0030 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9273 -1.7673 0.0410 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8011 2.3789 0.0379 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5603 0.6313 0.0573 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7765 -1.2201 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 1 10 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 2 32 1 0 0 0 0 3 10 1 0 0 0 0 3 12 1 0 0 0 0 3 33 1 0 0 0 0 4 5 1 0 0 0 0 4 6 1 0 0 0 0 4 20 1 0 0 0 0 4 21 1 0 0 0 0 5 7 1 0 0 0 0 5 22 1 0 0 0 0 5 23 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 11 15 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 2 0 0 0 0 12 14 1 0 0 0 0 13 16 1 0 0 0 0 13 36 1 0 0 0 0 14 17 2 0 0 0 0 14 37 1 0 0 0 0 15 19 3 0 0 0 0 16 18 2 0 0 0 0 16 38 1 0 0 0 0 17 18 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 M END $$$$