BU3IQ4 -OEChem-04012112422D 33 35 0 0 0 0 0 0 0999 V2000 5.5096 0.7381 0.0000 Cl 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 -2.6577 0.0000 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 -2.0984 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -0.0740 0.0000 N 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -0.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3802 -1.4749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5984 0.1486 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1896 -0.9749 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 1.1235 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6235 -1.8759 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 0.0597 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2742 -2.0096 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8209 -3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -0.4541 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1803 -1.4957 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7765 1.4182 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0879 1.8037 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9990 2.3932 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3104 2.7786 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2660 3.0734 0.0000 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -0.5884 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7049 -1.3615 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 0.6797 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2670 -2.6296 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2165 -3.2113 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9589 -3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4254 -2.9354 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -0.1420 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7160 -1.8078 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4954 1.6209 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5915 2.5759 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8559 3.2003 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4039 3.6778 0.0000 H 0 0 0 0 0 0 0 0 0 0 0 0 1 16 1 0 0 0 0 2 10 2 0 0 0 0 3 6 1 0 0 0 0 3 10 1 0 0 0 0 3 13 1 0 0 0 0 4 7 2 0 0 0 0 4 8 1 0 0 0 0 5 6 1 0 0 0 0 5 7 1 0 0 0 0 5 11 2 0 0 0 0 6 12 2 0 0 0 0 7 9 1 0 0 0 0 8 10 1 0 0 0 0 8 21 1 0 0 0 0 8 22 1 0 0 0 0 9 16 1 0 0 0 0 9 17 2 0 0 0 0 11 14 1 0 0 0 0 11 23 1 0 0 0 0 12 15 1 0 0 0 0 12 24 1 0 0 0 0 13 25 1 0 0 0 0 13 26 1 0 0 0 0 13 27 1 0 0 0 0 14 15 2 0 0 0 0 14 28 1 0 0 0 0 15 29 1 0 0 0 0 16 18 2 0 0 0 0 17 19 1 0 0 0 0 17 30 1 0 0 0 0 18 20 1 0 0 0 0 18 31 1 0 0 0 0 19 20 2 0 0 0 0 19 32 1 0 0 0 0 20 33 1 0 0 0 0 M END $$$$