BX6KP8 -OEChem-04022103013D 80 85 0 0 0 0 0 0 0999 V2000 -6.3697 1.3934 -1.7131 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.7396 -2.3416 0.7381 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6746 -1.7737 -0.0509 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4425 -4.0102 -0.2293 N 0 0 0 0 0 0 0 0 0 0 0 0 5.1391 0.1252 0.2881 N 0 0 0 0 0 0 0 0 0 0 0 0 5.8614 2.1957 0.6494 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.0365 1.2272 -0.5971 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5757 2.9596 0.6868 N 0 0 0 0 0 0 0 0 0 0 0 0 9.3266 -2.9193 -0.8973 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6223 -2.0514 1.0356 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5906 -3.6437 -1.3671 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8445 -2.8028 0.5030 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7500 -0.7393 0.1314 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6194 -4.7484 -0.6864 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3821 -1.0274 0.0828 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2094 0.5601 0.3584 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5078 0.0434 0.2717 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9352 1.3485 0.4996 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3130 1.6199 0.5452 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8016 1.4301 0.5169 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4259 1.8617 0.5944 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5057 -0.0224 -0.2041 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6264 -0.8878 -0.7822 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4563 0.3084 -1.2631 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4523 1.1810 -0.1440 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1409 1.6438 -0.0309 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6930 -1.1907 0.2679 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0925 2.9509 1.4028 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7779 2.7259 0.7660 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3155 1.1338 -0.6851 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7691 3.3982 1.5010 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0322 2.0439 -0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.7909 -2.0862 -0.2886 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4063 1.8754 -0.5430 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0638 1.5505 -1.3267 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7033 1.3558 -1.8030 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4381 2.2326 0.3250 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0320 1.1934 -2.1949 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7668 2.0702 -0.0668 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.8041 -3.1608 0.2732 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.7663 -3.4090 1.3472 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.5570 -3.6138 2.2270 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7737 -2.5918 -1.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6903 -3.6176 -0.3385 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1196 -2.6484 1.8076 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9724 -1.1315 1.5177 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2861 -4.5444 -1.9139 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1393 -3.0041 -2.0717 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4334 -2.1359 -0.1413 H 0 0 0 0 0 0 0 0 0 0 0 0 12.4776 -3.0755 1.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3198 -5.6680 -1.2014 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2365 -5.0533 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2414 -4.1579 -1.3689 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9913 -2.0256 -0.0773 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2750 0.7780 0.3787 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6797 2.6268 0.7173 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5048 -0.6533 0.1659 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9270 0.9076 0.1965 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0325 -0.5499 0.6330 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2046 -1.8268 -1.1610 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0873 -0.3735 -1.6343 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9157 0.8543 -2.0965 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0513 -0.6148 -1.6966 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6801 0.3405 -0.7908 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1363 -0.2585 0.6397 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2387 -1.6758 1.1410 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8552 3.4736 1.9768 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8707 0.5601 0.1385 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6981 2.0862 -0.3001 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5198 4.2450 2.1324 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1373 0.4439 -1.2291 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.3633 -3.0343 -0.6355 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2856 -1.5915 -1.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9238 1.0801 -2.5087 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2282 2.6425 1.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2580 0.7912 -3.1787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5393 2.3861 0.6279 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.3080 -2.6634 -0.5636 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3998 -4.1143 -0.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.2584 -3.7953 3.0076 H 0 0 0 0 0 0 0 0 0 0 0 0 1 30 1 0 0 0 0 1 35 1 0 0 0 0 2 33 1 0 0 0 0 2 40 1 0 0 0 0 3 9 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 11 1 0 0 0 0 4 12 1 0 0 0 0 4 14 1 0 0 0 0 5 17 1 0 0 0 0 5 20 1 0 0 0 0 5 57 1 0 0 0 0 6 18 1 0 0 0 0 6 20 2 0 0 0 0 7 26 1 0 0 0 0 7 32 1 0 0 0 0 7 71 1 0 0 0 0 8 29 1 0 0 0 0 8 32 2 0 0 0 0 9 11 1 0 0 0 0 9 43 1 0 0 0 0 9 44 1 0 0 0 0 10 12 1 0 0 0 0 10 45 1 0 0 0 0 10 46 1 0 0 0 0 11 47 1 0 0 0 0 11 48 1 0 0 0 0 12 49 1 0 0 0 0 12 50 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 51 1 0 0 0 0 14 52 1 0 0 0 0 14 53 1 0 0 0 0 15 17 1 0 0 0 0 15 54 1 0 0 0 0 16 19 2 0 0 0 0 16 55 1 0 0 0 0 17 18 2 0 0 0 0 18 19 1 0 0 0 0 19 56 1 0 0 0 0 20 21 1 0 0 0 0 21 25 2 0 0 0 0 21 28 1 0 0 0 0 22 23 1 0 0 0 0 22 24 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 27 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 24 30 1 0 0 0 0 24 62 1 0 0 0 0 24 63 1 0 0 0 0 25 26 1 0 0 0 0 25 64 1 0 0 0 0 26 29 2 0 0 0 0 27 33 1 0 0 0 0 27 65 1 0 0 0 0 27 66 1 0 0 0 0 28 31 2 0 0 0 0 28 67 1 0 0 0 0 29 31 1 0 0 0 0 30 68 1 0 0 0 0 30 69 1 0 0 0 0 31 70 1 0 0 0 0 32 34 1 0 0 0 0 33 72 1 0 0 0 0 33 73 1 0 0 0 0 34 36 2 0 0 0 0 34 37 1 0 0 0 0 35 38 2 0 0 0 0 35 39 1 0 0 0 0 36 38 1 0 0 0 0 36 74 1 0 0 0 0 37 39 2 0 0 0 0 37 75 1 0 0 0 0 38 76 1 0 0 0 0 39 77 1 0 0 0 0 40 41 1 0 0 0 0 40 78 1 0 0 0 0 40 79 1 0 0 0 0 41 42 3 0 0 0 0 42 80 1 0 0 0 0 M END $$$$