BS45MD -OEChem-04022118083D 46 48 0 0 0 0 0 0 0999 V2000 -4.4435 -2.2939 0.7149 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.8722 -3.1343 -0.5311 F 0 0 0 0 0 0 0 0 0 0 0 0 -4.4668 -1.9593 -1.4278 F 0 0 0 0 0 0 0 0 0 0 0 0 4.4962 -1.4582 0.7943 O 0 0 0 0 0 0 0 0 0 0 0 0 1.5175 2.3138 0.2667 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2905 2.5267 0.2688 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7716 0.1070 -0.0680 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0411 0.5828 -0.0220 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7862 0.5139 -0.8093 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3970 0.4626 0.0350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8082 -0.7859 -0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8355 0.6126 0.0750 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6183 0.2254 -0.0328 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4189 -0.9045 -0.1992 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5963 1.5927 0.2015 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2068 1.4742 0.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6342 -2.0186 -0.3486 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5424 0.8705 -1.0995 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5153 0.4992 1.2875 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9293 1.0152 -1.0613 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9021 0.6438 1.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7416 1.1210 0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6091 0.9018 0.1514 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4774 0.5389 -0.0924 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2231 1.3153 0.0795 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5662 -0.8019 0.2653 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6057 1.1453 -0.6207 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7637 -1.4857 0.0863 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8346 -0.7886 -0.4499 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6805 -2.8320 1.1312 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9493 -1.8728 -0.3550 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0388 2.5738 0.3589 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6553 2.3935 0.3040 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0281 0.9613 -2.0533 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9796 0.2978 2.2123 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1283 -0.8336 -0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4799 1.2157 -1.9758 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4316 0.5553 2.2699 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6889 1.0142 0.1812 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0995 -0.4139 -0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6045 2.1876 -0.9248 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9280 -2.5265 0.3346 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7911 -1.2754 -0.6098 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9017 -3.4383 0.2461 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4299 -2.9569 1.9202 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7296 -3.1945 1.5352 H 0 0 0 0 0 0 0 0 0 0 0 0 1 17 1 0 0 0 0 2 17 1 0 0 0 0 3 17 1 0 0 0 0 4 26 1 0 0 0 0 4 30 1 0 0 0 0 5 22 2 0 0 0 0 6 25 2 0 0 0 0 7 13 1 0 0 0 0 7 22 1 0 0 0 0 7 36 1 0 0 0 0 8 22 1 0 0 0 0 8 25 1 0 0 0 0 8 40 1 0 0 0 0 9 27 2 0 0 0 0 9 29 1 0 0 0 0 10 11 2 0 0 0 0 10 12 1 0 0 0 0 10 15 1 0 0 0 0 11 14 1 0 0 0 0 11 17 1 0 0 0 0 12 18 2 0 0 0 0 12 19 1 0 0 0 0 13 14 2 0 0 0 0 13 16 1 0 0 0 0 14 31 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 33 1 0 0 0 0 18 20 1 0 0 0 0 18 34 1 0 0 0 0 19 21 2 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 37 1 0 0 0 0 21 23 1 0 0 0 0 21 38 1 0 0 0 0 23 39 1 0 0 0 0 24 25 1 0 0 0 0 24 26 2 0 0 0 0 24 27 1 0 0 0 0 26 28 1 0 0 0 0 27 41 1 0 0 0 0 28 29 2 0 0 0 0 28 42 1 0 0 0 0 29 43 1 0 0 0 0 30 44 1 0 0 0 0 30 45 1 0 0 0 0 30 46 1 0 0 0 0 M END $$$$