BSA54B -OEChem-04042102363D 42 45 0 0 0 0 0 0 0999 V2000 -4.5016 -0.5954 -0.9354 S 0 0 0 0 0 0 0 0 0 0 0 0 3.2223 -1.8325 1.1144 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.3004 0.7270 -0.0186 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0706 -3.5985 -0.3480 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7183 -3.2544 1.8340 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6783 2.7837 -0.8133 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.7307 1.9758 -1.2017 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6125 2.1917 -0.1391 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8023 2.5051 0.5601 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6225 2.3124 0.5185 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6929 1.7670 -1.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7221 2.9301 1.8964 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6836 2.7356 1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0374 2.3847 -0.0973 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4864 3.0442 2.5341 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8819 2.0100 -0.1324 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9287 1.6527 -2.1129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0988 1.9609 -1.4251 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4678 0.7850 -0.7162 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2027 -1.5788 0.5720 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0837 -2.4657 0.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 -2.3000 -1.2583 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5873 -1.6025 -1.4181 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8985 -3.1412 0.6314 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1644 -1.2878 -0.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1059 -4.2660 0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1035 -2.5305 0.3971 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2025 -3.3127 0.2592 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1931 1.5142 -2.0527 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6238 3.1761 2.4533 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6370 2.8307 2.3616 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9649 2.6191 0.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4384 3.3737 3.5679 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9777 1.3215 -3.1461 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0605 1.8714 -1.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0184 -0.9146 1.4226 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1257 -2.1264 0.7894 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7418 -2.6374 -2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0276 -1.3440 -2.3724 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0939 -0.7632 -0.0364 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3678 -4.9940 -0.6853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9274 -4.8415 1.0058 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 20 1 0 0 0 0 2 21 1 0 0 0 0 2 25 1 0 0 0 0 3 16 1 0 0 0 0 3 19 1 0 0 0 0 4 24 1 0 0 0 0 4 26 1 0 0 0 0 5 24 2 0 0 0 0 6 7 1 0 0 0 0 6 16 2 0 0 0 0 7 19 2 0 0 0 0 8 9 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 9 14 2 0 0 0 0 10 13 2 0 0 0 0 10 16 1 0 0 0 0 11 17 1 0 0 0 0 11 29 1 0 0 0 0 12 15 2 0 0 0 0 12 30 1 0 0 0 0 13 15 1 0 0 0 0 13 31 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 15 33 1 0 0 0 0 17 18 2 0 0 0 0 17 34 1 0 0 0 0 18 35 1 0 0 0 0 20 27 1 0 0 0 0 20 36 1 0 0 0 0 20 37 1 0 0 0 0 21 22 2 0 0 0 0 21 24 1 0 0 0 0 22 23 1 0 0 0 0 22 38 1 0 0 0 0 23 25 2 0 0 0 0 23 39 1 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 27 28 3 0 0 0 0 M END $$$$