BKM51O -OEChem-04022114213D 32 33 0 1 0 0 0 0 0999 V2000 -3.3672 -0.6072 0.2615 P 0 0 0 0 0 0 0 0 0 0 0 0 -2.7291 -1.7509 -0.6692 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9047 -0.5333 -0.1988 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1109 -0.7115 1.7178 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2835 -2.2058 0.1933 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5507 -1.0932 -1.3323 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1784 0.3244 1.1798 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7243 1.1658 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2134 1.0191 -0.3273 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2656 2.1711 -0.8121 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1000 0.0524 -0.8624 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3679 1.0538 0.9934 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2385 1.2807 0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6791 0.9084 -0.4793 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8237 0.0379 0.7060 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9389 -1.1119 -0.2733 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3886 3.1494 -0.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1636 2.3086 -1.8937 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0780 -0.9540 -0.4335 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0181 -0.0171 -1.9489 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5010 1.9232 1.6459 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3587 0.1451 1.6042 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4479 2.1745 0.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6936 1.4443 -0.9546 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9564 0.9210 -1.5387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1791 1.7597 -0.0056 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2072 -0.2588 1.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5362 -0.4781 1.6969 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1526 1.0981 1.8431 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9226 -2.6922 -0.4734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5258 -1.2359 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3544 -2.9651 -0.4236 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 0 0 0 1 3 1 0 0 0 0 1 4 2 0 0 0 0 1 14 1 0 0 0 0 2 30 1 0 0 0 0 3 31 1 0 0 0 0 5 16 1 0 0 0 0 5 32 1 0 0 0 0 6 16 2 0 0 0 0 7 15 1 0 0 0 0 7 28 1 0 0 0 0 7 29 1 0 0 0 0 8 10 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 9 14 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 11 19 1 0 0 0 0 11 20 1 0 0 0 0 12 21 1 0 0 0 0 12 22 1 0 0 0 0 13 15 1 0 0 0 0 13 23 1 0 0 0 0 13 24 1 0 0 0 0 14 25 1 0 0 0 0 14 26 1 0 0 0 0 15 16 1 0 0 0 0 15 27 1 0 0 0 0 M END $$$$