B5QLX1 -OEChem-04022105292D 42 44 0 0 0 0 0 0 0999 V2000 4.3958 -5.0396 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 7.0060 0.5363 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -2.5396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2740 0.5296 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -3.5396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -3.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 7.8585 4.0396 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -2.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2619 -2.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2778 -0.4704 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3798 -0.9981 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5298 -3.5396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1719 -2.0328 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1799 -0.9912 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -2.2349 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3958 -4.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5836 -3.8444 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1381 1.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4060 1.0263 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9944 3.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1342 2.0330 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9983 2.5363 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8547 5.0396 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7265 3.5430 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8393 -0.6943 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7052 -2.3490 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7180 -0.6832 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -1.6456 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3910 -4.4337 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7140 1.5644 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8679 1.3342 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0981 0.4882 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7802 4.1181 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3843 3.4263 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5961 2.3409 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5364 2.2284 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4747 5.0420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8523 5.6596 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2347 5.0372 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4186 3.0048 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2646 3.2350 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0344 4.0811 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 18 2 0 0 0 0 3 8 1 0 0 0 0 3 12 1 0 0 0 0 3 15 1 0 0 0 0 4 10 1 0 0 0 0 4 18 1 0 0 0 0 4 19 1 0 0 0 0 5 9 1 0 0 0 0 5 16 2 0 0 0 0 6 15 2 0 0 0 0 6 17 1 0 0 0 0 7 20 1 0 0 0 0 7 23 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 10 11 2 0 0 0 0 10 14 1 0 0 0 0 11 25 1 0 0 0 0 12 16 1 0 0 0 0 12 17 2 0 0 0 0 13 14 2 0 0 0 0 13 26 1 0 0 0 0 14 27 1 0 0 0 0 15 28 1 0 0 0 0 17 29 1 0 0 0 0 18 21 1 0 0 0 0 19 30 1 0 0 0 0 19 31 1 0 0 0 0 19 32 1 0 0 0 0 20 22 1 0 0 0 0 20 33 1 0 0 0 0 20 34 1 0 0 0 0 21 22 2 0 0 0 0 21 35 1 0 0 0 0 22 36 1 0 0 0 0 23 37 1 0 0 0 0 23 38 1 0 0 0 0 23 39 1 0 0 0 0 24 40 1 0 0 0 0 24 41 1 0 0 0 0 24 42 1 0 0 0 0 M END $$$$