B47MOI -OEChem-04012115453D 38 40 0 0 0 0 0 0 0999 V2000 -3.1073 2.1050 0.1609 S 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -0.8731 0.9103 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9250 -0.2833 -0.0817 N 0 0 0 0 0 0 0 0 0 0 0 0 1.8503 1.9324 0.1229 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5002 1.6059 0.1022 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.9978 -0.2127 -0.0622 N 0 0 0 0 0 0 0 0 0 0 0 0 2.1845 -0.7643 -0.1330 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3116 0.0290 -0.0637 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3059 -2.2465 -0.2731 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0815 1.3834 0.0652 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8323 1.0542 0.0448 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6558 -0.5263 -0.1225 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0423 -2.9752 1.0412 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2226 2.3436 0.1500 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 1.0706 0.0573 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1472 0.7354 0.0369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3692 -0.4208 -0.0753 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3582 -0.6953 -1.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5506 0.6876 0.0387 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0213 -1.6677 -0.1897 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1708 -0.5591 -0.0758 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4180 -1.7228 -0.1886 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5667 -2.5829 -1.0119 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2748 -2.5567 -0.6760 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7693 -2.6819 1.8060 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1179 -4.0574 0.8956 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0409 -2.7536 1.4256 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4418 2.6181 0.1972 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8255 2.3085 -0.7628 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8607 3.3708 0.2677 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8562 2.1165 1.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7015 -0.3832 -2.2817 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6177 -1.7476 -1.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2581 -0.0754 -1.4793 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1448 1.5920 0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4428 -2.5830 -0.2784 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2561 -0.6183 -0.0765 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9179 -2.6835 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 1 16 1 0 0 0 0 2 12 2 0 0 0 0 3 7 2 0 0 0 0 3 11 1 0 0 0 0 4 10 1 0 0 0 0 4 11 2 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 5 28 1 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 8 10 2 0 0 0 0 8 12 1 0 0 0 0 9 13 1 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 14 1 0 0 0 0 12 18 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 29 1 0 0 0 0 14 30 1 0 0 0 0 14 31 1 0 0 0 0 16 17 1 0 0 0 0 16 19 2 0 0 0 0 17 20 2 0 0 0 0 18 32 1 0 0 0 0 18 33 1 0 0 0 0 18 34 1 0 0 0 0 19 21 1 0 0 0 0 19 35 1 0 0 0 0 20 22 1 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 37 1 0 0 0 0 22 38 1 0 0 0 0 M END $$$$