BQL3O1 -OEChem-04022107003D 44 45 0 0 0 0 0 0 0999 V2000 -1.4345 -2.9465 -1.3298 S 0 0 0 0 0 0 0 0 0 0 0 0 2.6283 2.1277 -1.5065 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5964 0.4947 0.9003 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3930 1.1409 0.6116 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4122 -0.5660 -0.8320 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7012 -2.2906 0.8262 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4990 3.2586 -0.0239 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8621 3.2160 0.6691 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6247 3.5036 0.9877 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0458 3.0432 -0.2913 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0090 3.5115 0.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0573 1.7344 -1.0834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3795 2.1837 -0.3052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0520 0.4941 -0.1996 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6922 -0.2200 0.3650 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2685 -1.8570 -0.3184 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6519 -1.1234 1.4142 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0182 -0.6203 -0.9203 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9464 -2.4650 1.1713 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3125 -1.9620 -1.1632 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2766 -2.8844 -0.1173 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6556 -4.1523 -0.1305 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3477 -3.6211 0.9376 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3257 2.3100 -0.5429 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4924 4.0512 -0.7815 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0091 4.1557 1.2168 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8667 2.4204 1.4227 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5728 2.7502 1.7818 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4650 4.4749 1.4721 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0626 3.8824 -0.9975 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9713 3.1130 0.2941 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7692 3.7451 1.0933 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0611 4.2953 -0.4262 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9642 1.6899 -1.6982 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2053 1.7149 -1.7720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1849 1.3628 1.5822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0078 -0.4277 -1.7542 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3950 -0.8076 2.4214 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0667 0.0306 -1.7806 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9175 -3.1835 1.9853 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5690 -2.2902 -2.1665 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5049 -3.9292 -0.3066 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2820 -5.1581 -0.2592 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6214 -4.1663 1.8309 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 1 22 1 0 0 0 0 2 13 2 0 0 0 0 3 14 2 0 0 0 0 4 13 1 0 0 0 0 4 15 1 0 0 0 0 4 36 1 0 0 0 0 5 14 1 0 0 0 0 5 16 1 0 0 0 0 5 37 1 0 0 0 0 6 16 2 0 0 0 0 6 23 1 0 0 0 0 7 8 1 0 0 0 0 7 9 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 10 1 0 0 0 0 8 26 1 0 0 0 0 8 27 1 0 0 0 0 9 11 1 0 0 0 0 9 28 1 0 0 0 0 9 29 1 0 0 0 0 10 12 1 0 0 0 0 10 30 1 0 0 0 0 10 31 1 0 0 0 0 11 13 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 14 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 15 17 2 0 0 0 0 15 18 1 0 0 0 0 17 19 1 0 0 0 0 17 38 1 0 0 0 0 18 20 2 0 0 0 0 18 39 1 0 0 0 0 19 21 2 0 0 0 0 19 40 1 0 0 0 0 20 21 1 0 0 0 0 20 41 1 0 0 0 0 21 42 1 0 0 0 0 22 23 2 0 0 0 0 22 43 1 0 0 0 0 23 44 1 0 0 0 0 M END $$$$