B2CSH9 -OEChem-04022109313D 53 56 0 0 0 0 0 0 0999 V2000 0.9704 -0.4167 -1.2716 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2882 0.4646 0.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1401 -2.8596 0.6201 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.5721 1.8291 -0.1645 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0910 -0.8386 -2.1620 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8591 2.1117 -0.4928 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1912 -0.1826 -0.0776 N 0 0 0 0 0 0 0 0 0 0 0 0 1.1806 1.1399 0.5842 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7625 0.2632 -0.3258 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0067 0.6943 -0.3572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2593 1.3428 0.5437 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9447 0.6826 0.5836 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1353 0.0244 -0.3397 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9995 1.7957 1.5065 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3785 1.5664 1.5046 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4093 -0.2426 -1.3350 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4489 0.9652 -0.3192 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5993 -0.2951 0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8008 -0.4503 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2842 -0.5795 -0.1940 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4020 0.8360 -0.1229 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1834 -1.5371 0.2742 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5701 -1.6479 0.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7888 0.7253 -0.0208 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3729 -0.5167 0.2285 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1495 0.2740 -0.8786 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7978 -1.5530 0.6629 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5286 0.1540 -0.7063 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1769 -1.6731 0.8352 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0422 -0.8194 0.1508 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5634 -2.9007 0.7120 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9822 1.6439 -0.0483 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6947 2.0283 1.2645 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5040 -0.6719 -1.0842 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5789 2.4875 2.2322 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0077 2.0813 2.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6046 -0.0900 -1.3979 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3514 -1.4446 -0.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6836 -1.0564 0.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0156 1.8270 -0.3171 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5639 -2.4233 0.3906 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4463 -0.6024 0.3074 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7617 1.0379 -1.5472 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1343 -2.2225 1.2038 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2024 0.8188 -1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5770 -2.4306 1.5028 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1159 -0.9126 0.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8422 -3.9413 0.9087 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0381 -2.6203 -0.2346 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9314 -2.3101 1.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4472 2.6252 -0.1898 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2641 1.3027 0.9537 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3712 0.9932 -0.8390 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 16 1 0 0 0 0 2 12 1 0 0 0 0 2 19 1 0 0 0 0 3 23 1 0 0 0 0 3 31 1 0 0 0 0 4 24 1 0 0 0 0 4 32 1 0 0 0 0 5 16 2 0 0 0 0 6 17 2 0 0 0 0 7 17 1 0 0 0 0 7 18 1 0 0 0 0 7 39 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 8 14 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 33 1 0 0 0 0 12 13 2 0 0 0 0 12 15 1 0 0 0 0 13 34 1 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 26 2 0 0 0 0 20 27 1 0 0 0 0 21 24 1 0 0 0 0 21 40 1 0 0 0 0 22 23 2 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 24 25 2 0 0 0 0 25 42 1 0 0 0 0 26 28 1 0 0 0 0 26 43 1 0 0 0 0 27 29 2 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 30 1 0 0 0 0 29 46 1 0 0 0 0 30 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 31 50 1 0 0 0 0 32 51 1 0 0 0 0 32 52 1 0 0 0 0 32 53 1 0 0 0 0 M END $$$$