B8PT4W -OEChem-04042106353D 52 53 0 1 0 0 0 0 0999 V2000 -1.1271 1.2277 0.3264 O 0 0 0 0 0 0 0 0 0 0 0 0 6.2075 -1.9901 0.8927 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6823 -0.3643 -0.1354 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1867 0.5072 0.2936 N 0 0 0 0 0 0 0 0 0 0 0 0 7.7317 -1.7535 -0.8078 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4366 -1.5611 -0.5335 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3765 0.3707 0.9314 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8361 -1.1922 -1.0280 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7740 0.8029 0.4846 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6008 -0.3901 0.0189 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3314 -0.7291 0.2901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3832 0.4526 0.1128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9623 0.0959 0.5277 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1912 0.9808 0.0429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8744 0.4790 -0.5323 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3087 0.2114 -0.8400 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5726 0.2241 -0.0430 C 0 0 1 0 0 0 0 0 0 0 0 0 0.8100 -0.1640 0.5455 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9140 1.8746 -0.7472 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1515 -0.4148 0.2579 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 1.6237 -1.0348 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5080 0.9828 0.8900 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7984 -1.2741 0.0876 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5143 -2.2688 0.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9173 -2.0763 -1.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4595 -0.2428 1.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8256 1.2770 1.2043 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3934 -2.1028 -1.2753 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7565 -0.6050 -1.9517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6899 1.5309 -0.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2876 1.3075 1.3108 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8308 -1.0336 0.8770 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5565 -0.0481 -0.3931 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3149 -1.1014 1.3225 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9481 -1.5440 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3803 0.7859 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7044 1.3207 0.7000 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9391 -0.1833 1.5875 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6391 -0.7584 -0.0815 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4014 -0.8403 -1.1409 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6110 0.8035 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7974 0.5498 -1.0669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2915 -0.8704 1.1869 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4371 2.7680 -1.1408 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0883 1.4955 0.5281 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6247 -1.3071 0.6597 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8064 2.3305 -1.6498 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3463 0.7014 1.9372 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5548 0.7612 0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3662 2.0654 0.8009 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2164 -1.1519 -1.4660 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9729 -2.7388 -0.8302 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 1 0 0 0 0 1 14 1 0 0 0 0 2 23 2 0 0 0 0 3 6 1 0 0 0 0 3 7 1 0 0 0 0 3 11 1 0 0 0 0 4 16 1 0 0 0 0 4 17 1 0 0 0 0 4 45 1 0 0 0 0 5 23 1 0 0 0 0 5 51 1 0 0 0 0 5 52 1 0 0 0 0 6 8 1 0 0 0 0 6 24 1 0 0 0 0 6 25 1 0 0 0 0 7 9 1 0 0 0 0 7 26 1 0 0 0 0 7 27 1 0 0 0 0 8 10 1 0 0 0 0 8 28 1 0 0 0 0 8 29 1 0 0 0 0 9 10 1 0 0 0 0 9 30 1 0 0 0 0 9 31 1 0 0 0 0 10 32 1 0 0 0 0 10 33 1 0 0 0 0 11 12 1 0 0 0 0 11 34 1 0 0 0 0 11 35 1 0 0 0 0 12 13 1 0 0 0 0 12 36 1 0 0 0 0 12 37 1 0 0 0 0 13 38 1 0 0 0 0 13 39 1 0 0 0 0 14 18 2 0 0 0 0 14 19 1 0 0 0 0 15 16 1 0 0 0 0 15 20 2 0 0 0 0 15 21 1 0 0 0 0 16 40 1 0 0 0 0 16 41 1 0 0 0 0 17 22 1 0 0 0 0 17 23 1 0 0 0 0 17 42 1 0 0 0 0 18 20 1 0 0 0 0 18 43 1 0 0 0 0 19 21 2 0 0 0 0 19 44 1 0 0 0 0 20 46 1 0 0 0 0 21 47 1 0 0 0 0 22 48 1 0 0 0 0 22 49 1 0 0 0 0 22 50 1 0 0 0 0 M END $$$$