B7M1XJ -OEChem-04042106123D 55 61 0 1 0 0 0 0 0999 V2000 -2.6905 -2.1434 -0.2749 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2294 0.8794 -1.6083 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8633 2.5074 1.7123 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0878 2.0804 -0.5128 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5148 4.2564 0.2918 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 0.6704 -0.2978 N 0 0 0 0 0 0 0 0 0 0 0 0 6.0331 -1.2501 0.4861 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6540 0.1886 -0.3128 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8054 -1.3104 0.1325 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3220 0.7907 0.1795 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1886 -1.9686 -0.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2068 -1.4531 1.6335 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9270 1.0580 -0.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9366 0.2724 -1.8419 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1343 -2.6081 1.2113 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1958 -0.2095 -0.0694 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3872 1.1845 1.6595 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4390 -1.5790 -0.2573 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1458 0.2199 -0.0755 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8303 2.9382 0.4227 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3860 -2.4771 -0.4707 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1965 -0.6769 -0.2831 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9301 -2.0259 -0.4834 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5918 -0.1921 -0.2873 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5650 -1.0394 0.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9402 1.1616 -0.7335 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9295 -0.6223 0.1341 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2228 1.5574 -0.7281 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5582 0.8452 -0.2042 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0443 -0.3467 0.2788 C 0 0 0 0 0 0 0 0 0 0 0 0 8.4403 -0.7081 0.5680 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1847 -2.6884 -1.0145 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0516 -1.3114 -0.3234 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7520 -0.6118 2.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4034 -1.7411 2.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7371 0.7063 0.4381 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7680 2.1191 0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2986 0.9373 -2.4325 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0305 -0.6743 -2.3833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6512 -3.5918 1.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0872 -2.6705 1.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7939 0.5385 2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4040 1.2325 2.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3588 1.2685 0.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5902 -3.5326 -0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -2.7576 -0.6848 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4556 4.6963 -0.6200 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 4.8371 1.1022 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3716 -2.0403 0.4953 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1720 1.8367 -1.0923 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5357 2.5419 -1.0541 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0413 1.7726 -0.4809 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5534 -0.9803 1.6220 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7472 -1.5632 -0.0421 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1227 0.1213 0.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 9 1 0 0 0 0 1 18 1 0 0 0 0 2 13 1 0 0 0 0 2 14 1 0 0 0 0 3 17 1 0 0 0 0 3 20 1 0 0 0 0 4 10 1 0 0 0 0 4 20 2 0 0 0 0 5 20 1 0 0 0 0 5 47 1 0 0 0 0 5 48 1 0 0 0 0 6 27 1 0 0 0 0 6 28 1 0 0 0 0 6 29 1 0 0 0 0 7 27 2 0 0 0 0 7 30 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 13 1 0 0 0 0 8 14 1 0 0 0 0 9 11 1 0 0 0 0 9 12 1 0 0 0 0 10 16 1 0 0 0 0 10 17 1 0 0 0 0 11 15 1 0 0 0 0 11 32 1 0 0 0 0 11 33 1 0 0 0 0 12 15 1 0 0 0 0 12 34 1 0 0 0 0 12 35 1 0 0 0 0 13 36 1 0 0 0 0 13 37 1 0 0 0 0 14 38 1 0 0 0 0 14 39 1 0 0 0 0 15 40 1 0 0 0 0 15 41 1 0 0 0 0 16 18 2 0 0 0 0 16 19 1 0 0 0 0 17 42 1 0 0 0 0 17 43 1 0 0 0 0 18 21 1 0 0 0 0 19 22 2 0 0 0 0 19 44 1 0 0 0 0 21 23 2 0 0 0 0 21 45 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 23 46 1 0 0 0 0 24 25 2 0 0 0 0 24 26 1 0 0 0 0 25 27 1 0 0 0 0 25 49 1 0 0 0 0 26 28 2 0 0 0 0 26 50 1 0 0 0 0 28 51 1 0 0 0 0 29 30 2 0 0 0 0 29 52 1 0 0 0 0 30 31 1 0 0 0 0 31 53 1 0 0 0 0 31 54 1 0 0 0 0 31 55 1 0 0 0 0 M END $$$$