BUQ30M -OEChem-04022112453D 64 66 0 0 0 0 0 0 0999 V2000 -9.8191 -2.1188 -1.6798 Cl 0 0 0 0 0 0 0 0 0 0 0 0 3.4263 0.4410 0.3751 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7431 -1.6292 1.1164 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3511 2.8792 -0.3799 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6397 -1.9152 -0.3717 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.6120 0.1444 0.1323 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9155 0.1482 0.1052 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.2571 0.3126 0.1307 N 0 0 0 0 0 0 0 0 0 0 0 0 9.7094 -0.6675 -0.0105 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2420 -0.5044 -0.2207 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4969 -0.2013 -0.6154 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3807 -1.4701 -1.1412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0421 -1.3055 1.3517 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6965 0.7696 -0.3789 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4149 -1.6270 -0.2598 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3240 0.9212 -0.5764 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0424 -1.4753 -0.4570 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0207 -0.0385 -0.8289 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0747 0.6213 0.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2301 -0.4240 0.7421 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5367 1.8503 -0.0136 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6906 0.9888 0.3523 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1526 -0.2403 0.7341 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1539 2.0340 -0.0215 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1671 1.1846 0.3438 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6932 2.5807 0.6140 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8108 -2.6443 1.4836 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7207 4.1020 -0.7564 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5218 -0.5478 -0.0609 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0876 -0.7816 -0.1215 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3912 -1.3442 -0.8064 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0277 0.4739 0.7427 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.7665 -1.1190 -0.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4030 0.6992 0.8008 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2725 -0.0972 0.0555 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1801 0.3251 -0.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0306 -2.5075 -1.1709 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4674 -1.4890 -1.0053 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1716 -1.0172 -2.1168 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6783 -2.3363 1.4211 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5896 -0.7341 2.1697 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1255 -1.3228 1.5129 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3264 1.6547 -0.3511 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8181 -2.6286 -0.1386 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9091 1.9183 -0.6981 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4093 -2.3584 -0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8439 0.6716 -1.6470 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5641 -0.9938 -1.1169 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8480 -1.0190 1.0271 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3015 2.9597 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0843 3.0077 -0.3137 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4905 2.5417 1.3628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9324 3.2471 1.0263 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3923 -3.5335 1.7489 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1677 -2.9263 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2377 -2.3638 2.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5177 4.8102 -1.0063 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1576 4.5404 0.0747 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1115 3.9811 -1.6587 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6219 1.2459 0.2729 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0003 -2.1390 -1.4380 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3879 1.0980 1.3600 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7834 1.4947 1.4361 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7678 0.8893 0.7378 H 0 0 0 0 0 0 0 0 0 0 0 0 1 33 1 0 0 0 0 2 18 1 0 0 0 0 2 19 1 0 0 0 0 3 20 1 0 0 0 0 3 27 1 0 0 0 0 4 21 1 0 0 0 0 4 28 1 0 0 0 0 5 30 2 0 0 0 0 6 35 1 0 0 0 0 6 64 1 0 0 0 0 7 8 1 0 0 0 0 7 25 2 0 0 0 0 8 30 1 0 0 0 0 8 60 1 0 0 0 0 9 10 1 0 0 0 0 9 12 1 0 0 0 0 9 13 1 0 0 0 0 9 36 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 16 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 12 37 1 0 0 0 0 12 38 1 0 0 0 0 12 39 1 0 0 0 0 13 40 1 0 0 0 0 13 41 1 0 0 0 0 13 42 1 0 0 0 0 14 16 1 0 0 0 0 14 43 1 0 0 0 0 15 17 2 0 0 0 0 15 44 1 0 0 0 0 16 45 1 0 0 0 0 17 46 1 0 0 0 0 18 47 1 0 0 0 0 18 48 1 0 0 0 0 19 20 2 0 0 0 0 19 21 1 0 0 0 0 20 23 1 0 0 0 0 21 24 2 0 0 0 0 22 23 2 0 0 0 0 22 24 1 0 0 0 0 22 25 1 0 0 0 0 23 49 1 0 0 0 0 24 50 1 0 0 0 0 25 26 1 0 0 0 0 26 51 1 0 0 0 0 26 52 1 0 0 0 0 26 53 1 0 0 0 0 27 54 1 0 0 0 0 27 55 1 0 0 0 0 27 56 1 0 0 0 0 28 57 1 0 0 0 0 28 58 1 0 0 0 0 28 59 1 0 0 0 0 29 30 1 0 0 0 0 29 31 2 0 0 0 0 29 32 1 0 0 0 0 31 33 1 0 0 0 0 31 61 1 0 0 0 0 32 34 2 0 0 0 0 32 62 1 0 0 0 0 33 35 2 0 0 0 0 34 35 1 0 0 0 0 34 63 1 0 0 0 0 M END $$$$