BN1U9A -OEChem-04012113352D 44 47 0 0 0 0 0 0 0999 V2000 4.5961 1.5877 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 -1.4540 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7818 -2.9744 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 5.5137 -2.9543 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 0.6049 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 0.5702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3743 1.6117 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2723 2.1395 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1744 1.6186 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1664 0.5770 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 0.0702 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5243 -0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2564 -0.9298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -1.4298 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6304 -1.4645 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 0.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7243 -0.9506 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8602 0.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8641 1.5944 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6420 -2.4644 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7320 2.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 2.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7359 3.0910 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0038 3.0977 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8718 3.5943 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1563 2.1921 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7652 1.4962 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6696 2.6154 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8714 2.6124 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7844 1.5078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3880 2.2007 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3709 -0.0082 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7780 0.6784 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7933 -1.2398 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3904 -2.0498 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2501 0.7044 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6459 0.0126 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3221 -1.1460 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4619 1.7898 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2740 3.3989 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4681 3.4097 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7889 -3.5943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8742 4.2143 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 18 1 0 0 0 0 2 39 1 0 0 0 0 3 21 1 0 0 0 0 3 43 1 0 0 0 0 4 21 2 0 0 0 0 5 12 2 0 0 0 0 5 17 1 0 0 0 0 6 7 1 0 0 0 0 6 11 2 0 0 0 0 6 12 1 0 0 0 0 7 8 1 0 0 0 0 7 27 1 0 0 0 0 7 28 1 0 0 0 0 8 9 1 0 0 0 0 8 29 1 0 0 0 0 8 30 1 0 0 0 0 9 10 1 0 0 0 0 9 31 1 0 0 0 0 9 32 1 0 0 0 0 10 11 1 0 0 0 0 10 33 1 0 0 0 0 10 34 1 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 13 15 1 0 0 0 0 13 16 2 0 0 0 0 14 15 2 0 0 0 0 14 35 1 0 0 0 0 15 36 1 0 0 0 0 16 18 1 0 0 0 0 16 21 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 19 20 1 0 0 0 0 19 37 1 0 0 0 0 19 38 1 0 0 0 0 20 22 1 0 0 0 0 20 23 2 0 0 0 0 22 24 2 0 0 0 0 23 25 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 24 41 1 0 0 0 0 25 26 2 0 0 0 0 25 42 1 0 0 0 0 26 44 1 0 0 0 0 M END $$$$