BB9R5L -OEChem-04022111293D 94 96 0 1 0 0 0 0 0999 V2000 3.2501 -0.3710 -2.2267 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2341 -1.4803 -1.1654 O 0 0 0 0 0 0 0 0 0 0 0 0 1.6822 1.7582 2.1764 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.7881 -4.2364 -0.3371 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3978 -3.2993 -2.6433 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5353 -1.7492 4.5091 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3074 1.3716 -1.6766 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5841 -3.4806 3.4683 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0357 0.0686 0.9617 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4003 4.7678 -0.7852 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0353 0.8842 -1.8553 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0041 3.8562 -2.3345 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4415 -2.7390 -0.2170 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7653 -0.3498 0.0400 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 -2.1956 0.5248 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7251 1.7763 0.0607 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1499 -1.0298 -0.8833 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9110 1.8322 -0.0610 N 0 0 0 0 0 0 0 0 0 0 0 0 2.4292 -2.4027 -1.2469 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6433 -3.2782 -0.9241 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0519 -4.4442 -0.1458 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9469 -3.7875 0.6644 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8183 -0.9272 -1.2171 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1487 -2.2294 -0.2614 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7676 -2.5769 0.9144 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0261 1.0592 0.2882 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3646 -1.8162 2.1708 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2609 1.2261 1.1598 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5883 2.2600 0.4609 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7630 1.5795 0.9630 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6072 3.7822 0.5326 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3588 -2.3962 -0.4181 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0022 -3.0426 -0.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7965 4.3443 1.3293 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6135 1.7579 -0.5507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5314 1.1345 0.3557 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1587 -3.1851 -1.4451 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0760 1.3908 -0.8147 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9076 -2.4643 3.4166 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5054 0.0921 -0.1478 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7660 5.8741 1.2950 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8080 3.8600 2.7799 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1841 2.4312 -0.7478 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4900 -2.5199 -1.7577 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1515 -0.1010 0.1691 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0886 2.2856 -0.2012 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3287 -0.1855 -0.5741 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2660 2.2013 -0.9445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7769 3.7282 -1.3968 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8859 0.9657 -1.1309 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9949 -2.6419 -2.2243 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3701 -2.7493 -0.2977 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1655 -3.6049 -1.8287 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6242 -5.1744 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7874 -4.9566 0.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1722 -4.5003 0.9520 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3518 -3.3080 1.5615 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7592 -3.6604 1.0615 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4668 -0.9203 0.8256 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1481 1.5893 -0.6647 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7242 -1.7850 2.2790 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7244 -0.7807 2.1333 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3851 -1.2225 0.6429 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2806 0.4864 1.9717 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2431 2.2036 1.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7986 1.7994 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3223 4.1422 0.9942 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6202 4.1998 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9060 -2.3700 0.5320 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8900 1.5976 -0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7433 4.0719 0.8600 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3502 -4.2009 -1.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7899 1.2119 -1.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6584 -0.9105 -1.7642 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0545 2.0421 0.9214 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8585 6.2646 1.7683 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6296 6.2942 1.8218 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7961 6.2412 0.2635 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8442 4.0432 3.2668 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0337 2.7931 2.8566 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5778 4.3854 3.3561 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0870 2.0685 -1.2515 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4454 2.6314 0.2994 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3585 -1.5590 -2.2666 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0843 -2.3663 -0.8518 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0675 -3.1482 -2.4451 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7335 -1.0028 0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6140 3.2536 -0.0649 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6333 -3.8709 -2.4604 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8744 -2.1467 5.3393 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8030 -1.1537 -0.7101 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6951 3.1014 -1.3761 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1526 5.6288 -1.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3254 -0.0439 -1.8824 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 2 0 0 0 0 2 24 2 0 0 0 0 3 30 2 0 0 0 0 4 33 2 0 0 0 0 5 37 1 0 0 0 0 5 89 1 0 0 0 0 6 39 1 0 0 0 0 6 90 1 0 0 0 0 7 35 2 0 0 0 0 8 39 2 0 0 0 0 9 40 2 0 0 0 0 10 49 1 0 0 0 0 10 93 1 0 0 0 0 11 50 1 0 0 0 0 11 94 1 0 0 0 0 12 49 2 0 0 0 0 13 19 1 0 0 0 0 13 22 1 0 0 0 0 13 24 1 0 0 0 0 14 23 1 0 0 0 0 14 26 1 0 0 0 0 14 59 1 0 0 0 0 15 25 1 0 0 0 0 15 33 1 0 0 0 0 15 63 1 0 0 0 0 16 29 1 0 0 0 0 16 30 1 0 0 0 0 16 70 1 0 0 0 0 17 32 1 0 0 0 0 17 40 1 0 0 0 0 17 74 1 0 0 0 0 18 35 1 0 0 0 0 18 38 1 0 0 0 0 18 75 1 0 0 0 0 19 20 1 0 0 0 0 19 23 1 0 0 0 0 19 51 1 0 0 0 0 20 21 1 0 0 0 0 20 52 1 0 0 0 0 20 53 1 0 0 0 0 21 22 1 0 0 0 0 21 54 1 0 0 0 0 21 55 1 0 0 0 0 22 56 1 0 0 0 0 22 57 1 0 0 0 0 24 25 1 0 0 0 0 25 27 1 0 0 0 0 25 58 1 0 0 0 0 26 28 1 0 0 0 0 26 30 1 0 0 0 0 26 60 1 0 0 0 0 27 39 1 0 0 0 0 27 61 1 0 0 0 0 27 62 1 0 0 0 0 28 36 1 0 0 0 0 28 64 1 0 0 0 0 28 65 1 0 0 0 0 29 31 1 0 0 0 0 29 35 1 0 0 0 0 29 66 1 0 0 0 0 31 34 1 0 0 0 0 31 67 1 0 0 0 0 31 68 1 0 0 0 0 32 33 1 0 0 0 0 32 37 1 0 0 0 0 32 69 1 0 0 0 0 34 41 1 0 0 0 0 34 42 1 0 0 0 0 34 71 1 0 0 0 0 36 45 2 0 0 0 0 36 46 1 0 0 0 0 37 44 1 0 0 0 0 37 72 1 0 0 0 0 38 40 1 0 0 0 0 38 43 1 0 0 0 0 38 73 1 0 0 0 0 41 76 1 0 0 0 0 41 77 1 0 0 0 0 41 78 1 0 0 0 0 42 79 1 0 0 0 0 42 80 1 0 0 0 0 42 81 1 0 0 0 0 43 49 1 0 0 0 0 43 82 1 0 0 0 0 43 83 1 0 0 0 0 44 84 1 0 0 0 0 44 85 1 0 0 0 0 44 86 1 0 0 0 0 45 47 1 0 0 0 0 45 87 1 0 0 0 0 46 48 2 0 0 0 0 46 88 1 0 0 0 0 47 50 2 0 0 0 0 47 91 1 0 0 0 0 48 50 1 0 0 0 0 48 92 1 0 0 0 0 M END $$$$