BV87UO -OEChem-04022112273D 29 31 0 0 0 0 0 0 0999 V2000 -6.8756 -0.9147 0.7311 I 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -1.4169 0.0495 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2465 2.4556 0.1207 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5160 -2.8887 -0.6250 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0664 1.0943 -0.4825 N 0 0 0 0 0 0 0 0 0 0 0 0 3.7631 1.1171 0.3500 N 0 0 0 0 0 0 0 0 0 0 0 0 2.5587 0.5091 0.0541 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 0.4027 -0.3820 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6221 -0.8509 -0.1373 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3170 1.2442 -0.0482 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2029 -0.9290 -0.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4917 -1.6742 -0.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3623 0.6448 -0.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7060 0.1982 0.3740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4455 1.1799 -0.9084 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5723 -0.3379 0.7561 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1322 0.4690 0.6573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7387 0.7327 -0.6381 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8655 -0.7853 1.0265 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9486 -0.2500 0.3295 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6544 -1.5383 -0.8333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9851 2.0711 -0.7453 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2942 1.9458 -1.6650 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7576 -0.7532 1.3429 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4670 -0.0769 1.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7627 0.1809 -0.1900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2909 1.5363 0.8429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5685 1.1631 -1.1930 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0081 -1.5464 1.7896 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 9 1 0 0 0 0 2 14 1 0 0 0 0 3 10 2 0 0 0 0 4 12 2 0 0 0 0 5 8 1 0 0 0 0 5 13 1 0 0 0 0 5 22 1 0 0 0 0 6 7 1 0 0 0 0 6 14 2 0 0 0 0 7 9 2 0 0 0 0 7 10 1 0 0 0 0 8 10 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 11 12 1 0 0 0 0 11 21 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 1 0 0 0 0 15 18 1 0 0 0 0 15 23 1 0 0 0 0 16 19 2 0 0 0 0 16 24 1 0 0 0 0 17 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 18 20 2 0 0 0 0 18 28 1 0 0 0 0 19 20 1 0 0 0 0 19 29 1 0 0 0 0 M END $$$$