BA9OS3 -OEChem-04022113013D 57 59 0 0 0 0 0 0 0999 V2000 0.3050 2.2262 0.0381 S 0 0 0 0 0 0 0 0 0 0 0 0 0.5792 3.0197 -1.1433 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7904 2.6421 1.3385 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7193 0.2952 1.9370 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7214 -4.1332 0.3234 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8424 -3.9098 -1.9480 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5543 1.5436 0.4891 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2079 -2.2732 -0.6724 N 0 0 0 0 0 0 0 0 0 0 0 0 0.9047 0.5603 -0.2834 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2154 0.0280 -1.5676 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4242 -0.3547 0.8745 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5485 -1.4410 -1.8264 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7415 -1.8298 0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4237 0.7394 -0.4002 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4433 2.0219 0.1728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2464 0.5967 0.7172 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9804 1.0491 -1.6411 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4830 -3.4761 -0.8548 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2474 2.1296 -0.9620 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0206 1.7531 1.4138 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6257 0.7636 0.5937 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3598 1.2162 -1.7646 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1824 1.0733 -0.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6288 1.9685 -0.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4020 1.5921 1.5201 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2062 1.6998 0.3855 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6338 0.1680 3.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4242 -5.3770 0.2217 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5986 -5.9596 1.6080 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3161 1.6679 -0.7110 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4247 0.6267 -2.4586 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8724 0.0528 -1.4579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6721 -0.3427 0.8906 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6672 -0.0380 1.8883 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0096 -1.7865 -2.7148 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6171 -1.5791 -2.0244 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8217 -2.0092 0.6023 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3322 -2.4301 1.4377 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3849 1.1897 -2.5353 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8194 2.3414 -1.9379 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4157 1.6667 2.3120 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3264 0.6687 1.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7935 1.4617 -2.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2563 1.2047 -0.7446 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1937 2.0655 -1.7763 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8462 1.3832 2.4896 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0430 -0.0735 3.9138 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1483 1.1124 3.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3302 -0.6634 2.8706 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4059 -5.2049 -0.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8495 -6.0708 -0.4016 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6255 -6.1196 2.0838 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1557 -5.2683 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1333 -6.9126 1.5675 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3669 1.5149 -0.4440 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0541 0.8900 -1.4363 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2375 2.6747 -1.1351 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 3 2 0 0 0 0 1 9 1 0 0 0 0 1 15 1 0 0 0 0 4 16 1 0 0 0 0 4 27 1 0 0 0 0 5 18 1 0 0 0 0 5 28 1 0 0 0 0 6 18 2 0 0 0 0 7 26 1 0 0 0 0 7 30 1 0 0 0 0 8 12 1 0 0 0 0 8 13 1 0 0 0 0 8 18 1 0 0 0 0 9 10 1 0 0 0 0 9 11 1 0 0 0 0 9 14 1 0 0 0 0 10 12 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 13 1 0 0 0 0 11 33 1 0 0 0 0 11 34 1 0 0 0 0 12 35 1 0 0 0 0 12 36 1 0 0 0 0 13 37 1 0 0 0 0 13 38 1 0 0 0 0 14 16 1 0 0 0 0 14 17 2 0 0 0 0 15 19 2 0 0 0 0 15 20 1 0 0 0 0 16 21 2 0 0 0 0 17 22 1 0 0 0 0 17 39 1 0 0 0 0 19 24 1 0 0 0 0 19 40 1 0 0 0 0 20 25 2 0 0 0 0 20 41 1 0 0 0 0 21 23 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 24 26 2 0 0 0 0 24 45 1 0 0 0 0 25 26 1 0 0 0 0 25 46 1 0 0 0 0 27 47 1 0 0 0 0 27 48 1 0 0 0 0 27 49 1 0 0 0 0 28 29 1 0 0 0 0 28 50 1 0 0 0 0 28 51 1 0 0 0 0 29 52 1 0 0 0 0 29 53 1 0 0 0 0 29 54 1 0 0 0 0 30 55 1 0 0 0 0 30 56 1 0 0 0 0 30 57 1 0 0 0 0 M END $$$$