BWET24 -OEChem-04042104013D 41 42 0 1 0 0 0 0 0999 V2000 -5.7317 -1.4605 2.1825 F 0 0 0 0 0 0 0 0 0 0 0 0 2.9052 0.5642 -0.2356 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5648 -2.6479 0.6928 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2196 2.9536 0.4137 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3587 -1.1853 0.5038 C 0 0 1 0 0 0 0 0 0 0 0 0 5.5780 -1.1891 -0.4405 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9873 -2.4586 0.3197 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0126 -0.8546 -0.1088 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6601 1.1005 -0.1665 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4393 2.3770 0.3253 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5583 0.3687 -0.5953 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9359 -1.5288 -0.5776 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7127 0.9278 -0.5202 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5075 -0.3062 0.1489 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0261 -1.1528 -1.7485 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5889 3.2047 0.7987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8273 2.2120 -0.0124 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4298 -0.7157 1.2851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8655 0.2002 -0.9533 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8365 -0.4092 -1.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5333 -0.6271 1.4345 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2572 -0.3376 -0.3538 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3459 -1.3615 -1.4980 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 -3.2601 -0.2890 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6418 -2.2799 1.1807 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0522 -3.2215 0.0219 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2340 -1.2447 0.5605 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8984 -1.3147 -1.0978 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6637 -0.6274 -1.0172 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3796 -2.1515 0.1346 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7620 -2.1415 -0.9590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6912 0.2922 0.5682 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0573 0.3263 -0.5570 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5883 -0.5569 -2.4769 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7119 -2.0685 -2.2627 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2980 3.3762 -0.0174 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1050 2.7050 1.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2486 4.1816 1.1581 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7916 2.7048 0.0728 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2708 -1.3161 0.9260 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8202 0.1626 1.8068 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 1 0 0 0 0 2 8 1 0 0 0 0 2 9 1 0 0 0 0 3 5 1 0 0 0 0 3 7 1 0 0 0 0 3 26 1 0 0 0 0 4 10 1 0 0 0 0 4 17 2 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 21 1 0 0 0 0 6 7 1 0 0 0 0 6 22 1 0 0 0 0 6 23 1 0 0 0 0 7 24 1 0 0 0 0 7 25 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 2 0 0 0 0 9 11 1 0 0 0 0 10 16 1 0 0 0 0 11 13 2 0 0 0 0 11 29 1 0 0 0 0 12 14 1 0 0 0 0 12 15 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 13 17 1 0 0 0 0 13 19 1 0 0 0 0 14 18 1 0 0 0 0 14 32 1 0 0 0 0 14 33 1 0 0 0 0 15 20 1 0 0 0 0 15 34 1 0 0 0 0 15 35 1 0 0 0 0 16 36 1 0 0 0 0 16 37 1 0 0 0 0 16 38 1 0 0 0 0 17 39 1 0 0 0 0 18 40 1 0 0 0 0 18 41 1 0 0 0 0 19 20 3 0 0 0 0 M END $$$$