DR3826 -OEChem-08132116343D 57 60 0 1 0 0 0 0 0999 V2000 2.2815 -2.1288 1.9543 O 0 0 0 0 0 0 0 0 0 0 0 0 6.3453 1.8191 -1.0693 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0636 -0.1212 0.7814 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.9852 -0.7888 -0.9485 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.0653 -0.9860 -0.7739 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1794 -1.6134 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0453 -0.5699 0.5272 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9203 -2.0426 -1.4816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9058 -0.2646 0.2852 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2186 -1.4382 -2.0203 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2049 0.2806 -0.3116 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6075 0.4743 -0.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2700 -1.2024 1.1640 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0843 0.4442 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4659 -0.5208 0.6944 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2467 -0.2616 -1.4685 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0475 1.2382 -0.8305 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7824 -0.7390 1.0561 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0955 0.3384 -0.3793 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3885 1.0429 -0.4833 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7529 0.0609 0.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0048 -0.4623 0.2979 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9570 1.6838 -0.0677 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7912 0.0937 1.3069 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7433 2.2397 0.9415 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6603 1.4447 1.6288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6825 3.0370 -0.4101 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8022 -1.0578 0.0004 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7692 -0.2505 -1.5325 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1127 -2.3808 0.5764 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7573 -2.1382 -0.9249 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5239 -0.0630 1.3468 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3558 -2.4867 -2.3102 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1604 -2.8585 -0.7872 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1390 -0.9471 1.1129 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3639 0.5869 0.7090 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9877 -0.7261 -2.8236 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8117 -2.2475 -2.4633 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9767 1.0858 -1.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7303 0.7160 0.5420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4081 0.2187 -1.5105 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1969 1.4672 -0.2534 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0744 0.4867 -2.2550 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8186 -1.0675 -1.9482 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7669 1.9939 -1.5576 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0522 -1.4997 1.7804 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1135 -1.5160 0.0569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2589 2.3202 -0.6046 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5052 -0.5252 1.8423 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6441 3.2924 1.1896 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2732 1.8777 2.4141 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4613 3.5375 -0.9919 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8106 3.6962 -0.3526 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0699 2.8380 0.5942 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8283 -1.0842 0.3771 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3697 -2.0591 0.0922 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8232 -0.7523 -1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 1 13 2 0 0 0 0 2 20 1 0 0 0 0 2 27 1 0 0 0 0 3 21 1 0 0 0 0 3 28 1 0 0 0 0 4 10 1 0 0 0 0 4 11 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 8 1 0 0 0 0 5 9 1 0 0 0 0 5 29 1 0 0 0 0 6 7 1 0 0 0 0 6 30 1 0 0 0 0 6 31 1 0 0 0 0 7 12 1 0 0 0 0 7 13 1 0 0 0 0 7 32 1 0 0 0 0 8 10 1 0 0 0 0 8 33 1 0 0 0 0 8 34 1 0 0 0 0 9 11 1 0 0 0 0 9 35 1 0 0 0 0 9 36 1 0 0 0 0 10 37 1 0 0 0 0 10 38 1 0 0 0 0 11 39 1 0 0 0 0 11 40 1 0 0 0 0 12 14 1 0 0 0 0 12 41 1 0 0 0 0 12 42 1 0 0 0 0 13 15 1 0 0 0 0 14 15 1 0 0 0 0 14 17 2 0 0 0 0 15 18 2 0 0 0 0 16 19 1 0 0 0 0 16 43 1 0 0 0 0 16 44 1 0 0 0 0 17 20 1 0 0 0 0 17 45 1 0 0 0 0 18 21 1 0 0 0 0 18 46 1 0 0 0 0 19 22 2 0 0 0 0 19 23 1 0 0 0 0 20 21 2 0 0 0 0 22 24 1 0 0 0 0 22 47 1 0 0 0 0 23 25 2 0 0 0 0 23 48 1 0 0 0 0 24 26 2 0 0 0 0 24 49 1 0 0 0 0 25 26 1 0 0 0 0 25 50 1 0 0 0 0 26 51 1 0 0 0 0 27 52 1 0 0 0 0 27 53 1 0 0 0 0 27 54 1 0 0 0 0 28 55 1 0 0 0 0 28 56 1 0 0 0 0 28 57 1 0 0 0 0 M END $$$$