B76DOK -OEChem-04022105323D 41 43 0 0 0 0 0 0 0999 V2000 3.1351 -1.6977 0.1887 S 0 0 0 0 0 0 0 0 0 0 0 0 -2.4987 0.1900 1.3619 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2655 0.2266 -0.9756 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1365 -2.3156 -1.1235 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2780 -1.8675 1.0662 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2310 -0.8039 -1.1681 N 0 0 0 0 0 0 0 0 0 0 0 0 1.6998 -2.1292 1.0415 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.1493 -1.9094 -1.3217 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.5398 0.8317 0.6298 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1224 0.0472 -0.5567 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6591 -0.5921 0.6283 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6593 1.1031 1.6428 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 2.1731 0.1056 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9773 -1.0985 -0.6221 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4361 -0.9389 1.1952 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4370 -1.7613 0.4945 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0373 -2.2152 -0.7502 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9141 0.0440 -0.0346 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3888 0.9362 0.9269 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2652 0.5247 -1.1719 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5656 2.7895 -0.3862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2145 2.3089 0.7511 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0909 1.8974 -1.3477 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3794 4.2571 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4824 1.6789 1.2063 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0708 0.1598 2.0211 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2781 1.6500 2.5130 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1888 2.0228 -0.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7858 2.7511 -0.3987 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5931 2.7770 0.9228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4935 -1.2764 -2.0274 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1672 -0.5636 2.1795 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7575 -2.0797 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6524 -2.8820 -1.3448 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8904 0.5836 1.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8926 -0.1493 -1.9376 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5887 2.9939 1.5073 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5859 2.2598 -2.2392 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2277 4.6760 -1.1244 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2973 4.7721 0.3891 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4601 4.4701 -1.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 4 2 0 0 0 0 1 5 2 0 0 0 0 1 7 1 0 0 0 0 1 18 1 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 10 2 0 0 0 0 6 10 1 0 0 0 0 6 14 1 0 0 0 0 6 31 1 0 0 0 0 7 16 1 0 0 0 0 7 33 1 0 0 0 0 8 14 1 0 0 0 0 8 17 2 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 25 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 13 28 1 0 0 0 0 13 29 1 0 0 0 0 13 30 1 0 0 0 0 15 16 2 0 0 0 0 15 32 1 0 0 0 0 16 17 1 0 0 0 0 17 34 1 0 0 0 0 18 19 2 0 0 0 0 18 20 1 0 0 0 0 19 22 1 0 0 0 0 19 35 1 0 0 0 0 20 23 2 0 0 0 0 20 36 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 21 24 1 0 0 0 0 22 37 1 0 0 0 0 23 38 1 0 0 0 0 24 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 M END $$$$