BW5VU8 -OEChem-04022106023D 41 44 0 0 0 0 0 0 0999 V2000 3.3914 0.9488 1.1855 S 0 0 0 0 0 0 0 0 0 0 0 0 2.2278 -2.3026 -0.1474 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2798 -3.9146 1.3083 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4317 -4.1787 -0.9442 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2407 0.7524 -0.1256 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1285 1.1278 0.0065 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9020 2.6262 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1120 3.4625 0.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3712 2.9369 -0.3380 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6531 1.5108 0.1234 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4421 0.6121 0.0655 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0158 0.2652 -0.0357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2445 -1.1265 0.0170 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6368 -0.7701 0.1277 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5476 -1.6326 0.1023 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1417 -1.9912 -0.0196 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2800 -0.1124 -0.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1442 -1.4824 -0.1091 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5659 0.5310 -0.2552 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2984 -3.4449 0.0344 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2776 0.8853 -1.3800 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7057 1.6059 0.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5174 1.5077 -1.0550 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8544 2.1834 1.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0593 2.9148 0.5625 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6319 2.8679 -1.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2349 3.4322 1.4230 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9451 4.5100 0.0580 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2472 2.9618 -1.4280 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2259 3.5785 -0.0962 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4561 1.0950 -0.4970 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0126 1.5292 1.1601 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6404 -1.1827 0.1950 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7490 -2.6999 0.1482 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9318 0.7094 -2.3912 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0502 -1.7882 -0.1799 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2314 1.8637 -1.7868 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5366 3.0194 1.6692 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3336 1.4307 1.6720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6126 2.5626 0.3436 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3855 -4.8894 1.3403 H 0 0 0 0 0 0 0 0 0 0 0 0 1 19 1 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 36 1 0 0 0 0 3 20 1 0 0 0 0 3 41 1 0 0 0 0 4 20 2 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 25 1 0 0 0 0 7 26 1 0 0 0 0 8 9 1 0 0 0 0 8 27 1 0 0 0 0 8 28 1 0 0 0 0 9 10 1 0 0 0 0 9 29 1 0 0 0 0 9 30 1 0 0 0 0 10 11 1 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 20 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 21 2 0 0 0 0 21 23 1 0 0 0 0 21 35 1 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 23 37 1 0 0 0 0 24 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 M END $$$$