BUQ1X3 -OEChem-04012115133D 43 45 0 1 0 0 0 0 0999 V2000 -8.4401 -0.8287 0.0783 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -1.5990 -1.6398 0.1095 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7335 1.1114 0.7376 O 0 0 0 0 0 0 0 0 0 0 0 0 8.3850 -0.9099 0.0876 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6523 0.4953 -0.0211 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7020 -0.2172 -0.7520 N 0 0 0 0 0 0 0 0 0 0 0 0 7.0052 -1.0000 -0.1464 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2937 0.3974 0.0952 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.7251 1.7469 -0.4690 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1764 1.8653 -0.0465 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5788 -0.4182 0.0463 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2230 0.4872 1.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0435 0.1771 0.0030 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0617 -0.1401 -0.5124 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9934 1.1959 -0.0724 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4532 -1.1526 0.1019 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6940 1.1026 -0.4704 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8010 -1.3060 -0.3133 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3528 0.8849 -0.0490 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8127 -1.4637 0.1253 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0657 1.1792 -0.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1727 -1.2293 -0.0722 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8051 0.0133 -0.0300 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7625 -0.4448 0.0498 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2348 0.0937 0.2226 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6651 1.7463 -1.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1294 2.5920 -0.1100 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7176 2.4777 -0.7733 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2735 2.2911 0.9580 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0173 1.2295 1.6526 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5935 -0.4803 1.8869 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5819 0.7781 2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4071 -1.0649 -1.2300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7260 2.2452 -0.1377 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7739 -1.9912 0.1660 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1420 2.0228 -0.6378 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3185 -2.2799 -0.3371 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0825 1.6887 -0.1058 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1186 -2.5039 0.2031 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5409 2.1565 -0.2075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7098 -2.1574 0.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6881 -1.8161 -0.6576 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7258 -1.3585 -0.7047 H 0 0 0 0 0 0 0 0 0 0 0 0 1 24 1 0 0 0 0 2 11 2 0 0 0 0 3 25 2 0 0 0 0 4 7 1 0 0 0 0 4 43 1 0 0 0 0 5 10 1 0 0 0 0 5 11 1 0 0 0 0 5 13 1 0 0 0 0 6 8 1 0 0 0 0 6 14 1 0 0 0 0 6 33 1 0 0 0 0 7 25 1 0 0 0 0 7 42 1 0 0 0 0 8 9 1 0 0 0 0 8 11 1 0 0 0 0 8 12 1 0 0 0 0 9 10 1 0 0 0 0 9 26 1 0 0 0 0 9 27 1 0 0 0 0 10 28 1 0 0 0 0 10 29 1 0 0 0 0 12 30 1 0 0 0 0 12 31 1 0 0 0 0 12 32 1 0 0 0 0 13 15 2 0 0 0 0 13 16 1 0 0 0 0 14 17 2 0 0 0 0 14 18 1 0 0 0 0 15 19 1 0 0 0 0 15 34 1 0 0 0 0 16 20 2 0 0 0 0 16 35 1 0 0 0 0 17 21 1 0 0 0 0 17 36 1 0 0 0 0 18 22 2 0 0 0 0 18 37 1 0 0 0 0 19 24 2 0 0 0 0 19 38 1 0 0 0 0 20 24 1 0 0 0 0 20 39 1 0 0 0 0 21 23 2 0 0 0 0 21 40 1 0 0 0 0 22 23 1 0 0 0 0 22 41 1 0 0 0 0 23 25 1 0 0 0 0 M END $$$$