D0UQ6J -OEChem-10121500232D 39 41 0 0 0 0 0 0 0999 V2000 2.3899 0.8519 0.0000 S 0 0 0 0 0 0 0 0 0 0 0 0 7.6913 -1.5895 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5698 2.4482 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4618 0.1273 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.5037 -0.6435 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.0037 1.5472 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.6180 -1.8048 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4047 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6272 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6825 -1.4570 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6027 -0.2096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0898 -0.9299 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3802 0.7653 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0037 1.5472 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6397 -1.6282 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0810 -0.7974 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6737 -1.3244 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.8150 -2.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5500 -0.4658 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7480 -0.7172 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4376 2.4482 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -0.0625 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1858 0.4963 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0138 1.2501 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1923 -2.0574 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7558 -1.9390 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2882 -1.2423 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5915 -0.7099 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2005 -2.5303 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8972 -3.0627 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4295 -2.3660 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1645 -0.3836 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4678 0.1487 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9354 -0.5479 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6914 -1.3346 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9962 2.1791 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7066 3.0067 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8790 2.7172 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3955 -0.2005 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 22 1 0 0 0 0 2 10 1 0 0 0 0 2 16 1 0 0 0 0 3 14 2 0 0 0 0 4 16 2 0 0 0 0 5 8 1 0 0 0 0 5 11 1 0 0 0 0 5 15 1 0 0 0 0 6 9 1 0 0 0 0 6 14 1 0 0 0 0 6 21 1 0 0 0 0 7 12 1 0 0 0 0 7 15 2 0 0 0 0 8 9 1 0 0 0 0 8 12 2 0 0 0 0 9 23 1 0 0 0 0 9 24 1 0 0 0 0 10 17 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 11 13 2 0 0 0 0 11 20 1 0 0 0 0 12 16 1 0 0 0 0 13 14 1 0 0 0 0 15 25 1 0 0 0 0 17 26 1 0 0 0 0 17 27 1 0 0 0 0 17 28 1 0 0 0 0 18 29 1 0 0 0 0 18 30 1 0 0 0 0 18 31 1 0 0 0 0 19 32 1 0 0 0 0 19 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 2 0 0 0 0 20 35 1 0 0 0 0 21 36 1 0 0 0 0 21 37 1 0 0 0 0 21 38 1 0 0 0 0 22 39 1 0 0 0 0 M END $$$$