B3TS9A -OEChem-04012113513D 36 37 0 0 0 0 0 0 0999 V2000 3.6184 2.4385 -0.0162 S 0 0 0 0 0 0 0 0 0 0 0 0 4.3668 -0.2577 1.0475 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3170 0.0147 0.1873 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4540 -2.0386 -0.1741 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0629 -0.4876 0.2319 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0004 1.7832 0.0181 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4689 -0.7559 0.3782 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 1.3869 0.0917 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3182 0.6104 0.1071 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0949 0.6456 0.0721 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4329 -0.3005 0.0644 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6112 -2.8934 0.0529 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4629 -2.5709 -1.1096 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9635 -0.4040 0.1179 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0394 0.9055 0.3758 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 -1.4112 -0.2961 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4299 1.0034 0.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5688 -1.3131 -0.3465 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1946 -0.1058 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9728 3.7506 -1.0923 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 1.6472 -0.0334 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2648 -3.8873 0.3509 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2615 -2.4956 0.8365 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1826 -2.9651 -0.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6999 -3.1075 -0.5391 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9468 -3.2665 -1.8027 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0073 -1.7749 -1.7027 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5668 -1.4148 0.1901 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4883 1.7873 0.6857 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7053 -2.3581 -0.5422 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9183 1.9415 0.5728 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1645 -2.1767 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2773 -0.0299 -0.0735 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1438 4.2717 -0.6059 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6327 3.3315 -2.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7683 4.4732 -1.2931 H 0 0 0 0 0 0 0 0 0 0 0 0 1 8 1 0 0 0 0 1 20 1 0 0 0 0 2 7 2 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 8 1 0 0 0 0 4 7 1 0 0 0 0 4 12 1 0 0 0 0 4 13 1 0 0 0 0 5 9 2 0 0 0 0 6 8 2 0 0 0 0 6 9 1 0 0 0 0 9 10 1 0 0 0 0 10 14 2 0 0 0 0 10 21 1 0 0 0 0 11 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 12 22 1 0 0 0 0 12 23 1 0 0 0 0 12 24 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 28 1 0 0 0 0 15 17 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 16 30 1 0 0 0 0 17 19 2 0 0 0 0 17 31 1 0 0 0 0 18 19 1 0 0 0 0 18 32 1 0 0 0 0 19 33 1 0 0 0 0 20 34 1 0 0 0 0 20 35 1 0 0 0 0 20 36 1 0 0 0 0 M END $$$$