D05UUW -OEChem-10101305022D 42 45 0 0 0 0 0 0 0999 V2000 4.8830 -2.7541 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9491 0.3375 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 3.0814 2.1394 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.5125 1.1637 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9519 0.4122 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0786 2.0647 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5180 1.3132 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3830 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7595 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6475 3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3830 -0.5635 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9820 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0065 -1.3453 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7690 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7840 -2.3202 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2295 -3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9970 -1.0230 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -1.7255 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2318 -2.7410 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5365 -3.0404 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.7660 -1.7256 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5342 -2.7411 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3551 0.2443 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0137 -0.2047 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9563 0.7308 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0159 1.5257 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0742 1.7461 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0146 0.9513 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6754 2.2326 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0168 2.6816 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2061 3.3094 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3785 3.5990 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0889 2.7714 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6520 -0.0049 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6380 -0.4169 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3744 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1280 -0.4170 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4083 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7789 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3916 -3.6432 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3578 -1.5405 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9871 -3.1645 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 12 1 0 0 0 0 1 15 1 0 0 0 0 2 4 1 0 0 0 0 2 5 1 0 0 0 0 2 8 1 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 10 1 0 0 0 0 4 6 1 0 0 0 0 4 25 1 0 0 0 0 4 26 1 0 0 0 0 5 7 1 0 0 0 0 5 23 1 0 0 0 0 5 24 1 0 0 0 0 6 29 1 0 0 0 0 6 30 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 11 2 0 0 0 0 9 12 1 0 0 0 0 9 14 2 0 0 0 0 10 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 13 1 0 0 0 0 11 34 1 0 0 0 0 12 16 2 0 0 0 0 13 15 1 0 0 0 0 13 17 2 0 0 0 0 14 18 1 0 0 0 0 14 35 1 0 0 0 0 15 20 2 0 0 0 0 16 19 1 0 0 0 0 16 36 1 0 0 0 0 17 21 1 0 0 0 0 17 37 1 0 0 0 0 18 19 2 0 0 0 0 18 38 1 0 0 0 0 19 39 1 0 0 0 0 20 22 1 0 0 0 0 20 40 1 0 0 0 0 21 22 2 0 0 0 0 21 41 1 0 0 0 0 22 42 1 0 0 0 0 M END $$$$