BK0NI9 -OEChem-04042102463D 56 58 0 1 0 0 0 0 0999 V2000 -3.5633 -1.6902 -0.5853 S 0 0 0 0 0 0 0 0 0 0 0 0 -5.2067 2.2045 1.1865 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9087 -2.4080 -1.7974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4010 -1.8039 0.5934 O 0 0 0 0 0 0 0 0 0 0 0 0 2.8582 1.0011 -0.5608 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.8366 0.9053 -0.6104 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3446 -0.0450 -0.9450 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5155 0.9726 0.1188 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.6608 2.2028 -0.1959 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1888 1.8828 -0.2929 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9328 -2.1789 -0.1087 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9847 1.3310 0.1587 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6340 1.5194 -1.5199 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3836 1.9500 0.8442 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0380 -2.6530 -1.0679 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5400 -2.0873 1.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7261 1.2234 -1.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9765 1.6541 0.7541 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5312 1.2908 -0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6422 -2.9444 0.6434 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2494 -3.0358 -0.6919 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2526 -2.4700 1.6027 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6226 1.0890 0.6409 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0188 -3.3536 1.0456 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0557 0.7668 0.3346 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5613 2.6370 1.3480 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5073 -0.5507 0.4139 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9365 1.7851 -0.0298 C 0 0 0 0 0 0 0 0 0 0 0 0 6.8396 -0.8497 0.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2687 1.4861 -0.3152 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7202 0.1686 -0.2359 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2278 0.5454 1.0859 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8077 2.9772 0.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9909 2.6661 -1.1362 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4763 0.2762 -1.9122 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2479 1.4665 -2.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8066 2.2283 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3216 -2.7247 -2.1141 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2174 -1.7150 1.9897 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1527 0.9406 -2.5685 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5388 1.7231 1.6787 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9372 -3.4028 -1.4490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0428 -2.3936 2.6457 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2546 0.3738 1.3887 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5804 2.1035 1.0592 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4024 -2.7057 1.8412 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7186 -3.2770 0.2064 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0147 -4.3880 1.4029 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5997 3.3248 2.1969 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2093 1.7812 1.5596 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8990 3.1661 0.4517 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8304 -1.3533 0.6943 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5967 2.8152 -0.0977 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1910 -1.8756 0.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9544 2.2788 -0.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7575 -0.0642 -0.4583 H 0 0 0 0 0 0 0 0 0 0 0 0 1 3 2 0 0 0 0 1 4 2 0 0 0 0 1 7 1 0 0 0 0 1 11 1 0 0 0 0 2 12 1 0 0 0 0 2 26 1 0 0 0 0 5 19 1 0 0 0 0 5 23 1 0 0 0 0 6 12 2 0 0 0 0 7 8 1 0 0 0 0 7 35 1 0 0 0 0 8 9 1 0 0 0 0 8 12 1 0 0 0 0 8 32 1 0 0 0 0 9 10 1 0 0 0 0 9 33 1 0 0 0 0 9 34 1 0 0 0 0 10 13 2 0 0 0 0 10 14 1 0 0 0 0 11 15 2 0 0 0 0 11 16 1 0 0 0 0 13 17 1 0 0 0 0 13 36 1 0 0 0 0 14 18 2 0 0 0 0 14 37 1 0 0 0 0 15 21 1 0 0 0 0 15 38 1 0 0 0 0 16 22 2 0 0 0 0 16 39 1 0 0 0 0 17 19 2 0 0 0 0 17 40 1 0 0 0 0 18 19 1 0 0 0 0 18 41 1 0 0 0 0 20 21 2 0 0 0 0 20 22 1 0 0 0 0 20 24 1 0 0 0 0 21 42 1 0 0 0 0 22 43 1 0 0 0 0 23 25 1 0 0 0 0 23 44 1 0 0 0 0 23 45 1 0 0 0 0 24 46 1 0 0 0 0 24 47 1 0 0 0 0 24 48 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 49 1 0 0 0 0 26 50 1 0 0 0 0 26 51 1 0 0 0 0 27 29 1 0 0 0 0 27 52 1 0 0 0 0 28 30 2 0 0 0 0 28 53 1 0 0 0 0 29 31 2 0 0 0 0 29 54 1 0 0 0 0 30 31 1 0 0 0 0 30 55 1 0 0 0 0 31 56 1 0 0 0 0 M END $$$$