BXU5K1 -OEChem-04022118143D 47 51 0 0 0 0 0 0 0999 V2000 8.1207 -3.8777 0.0926 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.6525 -1.5246 1.7243 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2687 -2.3061 0.1917 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4957 1.3707 -0.4695 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1009 0.5365 0.7530 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2277 0.1379 1.1557 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1607 1.3920 0.5929 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9293 -0.2948 -0.5399 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.0370 -2.5420 -0.9555 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8955 1.5745 0.3773 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1003 1.5680 0.0831 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7406 0.5090 0.6194 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9430 -0.4277 1.2695 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4849 -0.4428 1.5460 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3678 1.5174 -0.0608 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2361 2.7541 -0.2164 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9000 2.7180 -0.3431 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9901 2.2016 -1.1050 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1328 0.7842 0.8464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2562 -0.9586 0.3657 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1422 1.4192 -0.3351 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3772 2.1525 -1.2421 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5199 0.7350 0.7092 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3901 -1.3084 -1.3288 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1122 0.1378 -0.3366 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2202 -1.0624 -2.5132 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5744 -0.9826 -0.9702 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2708 0.0160 0.4306 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1950 -2.2245 -0.8365 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8914 -1.2259 0.5645 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3535 -2.3462 -0.0691 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2640 -0.4063 0.9481 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0724 0.3206 2.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2921 -1.2605 2.2490 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8321 3.6047 -0.5197 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3959 3.5865 -0.7541 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4252 2.7655 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6944 0.2647 1.6940 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8564 2.6832 -2.0603 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0935 0.1802 1.4471 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4003 0.0083 -2.6521 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1915 -1.5571 -2.4151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7295 -1.4408 -3.4155 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6858 -0.9120 -1.5919 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6936 0.8855 0.9263 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7678 -3.0879 -1.3401 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7938 -1.3057 1.1652 H 0 0 0 0 0 0 0 0 0 0 0 0 1 31 1 0 0 0 0 2 13 2 0 0 0 0 3 9 1 0 0 0 0 3 20 1 0 0 0 0 4 21 1 0 0 0 0 4 25 1 0 0 0 0 5 10 1 0 0 0 0 5 12 1 0 0 0 0 5 13 1 0 0 0 0 6 7 1 0 0 0 0 6 13 1 0 0 0 0 6 14 1 0 0 0 0 7 10 2 0 0 0 0 8 20 2 0 0 0 0 8 24 1 0 0 0 0 9 24 2 0 0 0 0 10 16 1 0 0 0 0 11 12 2 0 0 0 0 11 15 1 0 0 0 0 11 17 1 0 0 0 0 12 32 1 0 0 0 0 14 20 1 0 0 0 0 14 33 1 0 0 0 0 14 34 1 0 0 0 0 15 18 2 0 0 0 0 15 19 1 0 0 0 0 16 17 2 0 0 0 0 16 35 1 0 0 0 0 17 36 1 0 0 0 0 18 22 1 0 0 0 0 18 37 1 0 0 0 0 19 23 2 0 0 0 0 19 38 1 0 0 0 0 21 22 2 0 0 0 0 21 23 1 0 0 0 0 22 39 1 0 0 0 0 23 40 1 0 0 0 0 24 26 1 0 0 0 0 25 27 2 0 0 0 0 25 28 1 0 0 0 0 26 41 1 0 0 0 0 26 42 1 0 0 0 0 26 43 1 0 0 0 0 27 29 1 0 0 0 0 27 44 1 0 0 0 0 28 30 2 0 0 0 0 28 45 1 0 0 0 0 29 31 2 0 0 0 0 29 46 1 0 0 0 0 30 31 1 0 0 0 0 30 47 1 0 0 0 0 M END $$$$