BL71QE -OEChem-04042103153D 49 51 0 0 0 0 0 0 0999 V2000 -0.6641 1.0789 1.1641 S 0 0 0 0 0 0 0 0 0 0 0 0 6.1323 1.2997 -0.3214 S 0 0 0 0 0 0 0 0 0 0 0 0 -3.7124 -2.1571 0.3613 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.4515 -2.5818 -1.3584 F 0 0 0 0 0 0 0 0 0 0 0 0 -2.0000 -3.4819 0.5625 F 0 0 0 0 0 0 0 0 0 0 0 0 -3.5836 0.0611 2.6167 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7965 0.2488 -1.0766 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1798 2.6748 -0.7919 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1783 -1.8801 -1.5786 O 0 5 0 0 0 0 0 0 0 0 0 0 5.4891 -2.0718 0.5862 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1707 1.0694 0.5904 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.2233 -1.1860 -0.0014 N 0 0 0 0 0 0 0 0 0 0 0 0 4.9425 -1.5244 -0.4001 N 0 3 0 0 0 0 0 0 0 0 0 0 -6.2871 1.3624 -1.3648 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8578 0.9687 -1.7707 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5719 0.9258 0.0813 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8351 1.5042 -0.7712 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5077 1.4542 1.0411 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3096 0.7605 -2.3254 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3176 0.3869 1.4607 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9875 0.0055 0.9696 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5629 -1.1415 0.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 0.3491 -0.0688 0.3889 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7469 0.2489 0.2158 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4037 -2.3058 -0.0160 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4473 0.8646 -0.1176 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6723 -0.7706 -0.0072 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0225 -0.4629 -0.1741 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1718 1.5763 0.2725 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5219 1.8842 0.1057 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7960 1.2577 1.3265 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3734 2.4559 -1.4191 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6299 1.3553 -2.7708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7758 -0.1249 -1.8194 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5925 -0.1705 0.1364 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5590 1.2834 0.3961 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8372 1.1770 -1.0688 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8326 2.6006 -0.7728 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5384 2.5492 1.0858 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7010 1.0784 2.0508 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3251 1.0655 -2.0519 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1230 1.0965 -3.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2704 -0.3340 -2.3153 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3500 -1.8096 -0.0494 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5013 2.4178 0.4176 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8267 2.9257 0.1573 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8525 1.5292 1.2721 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2593 1.9807 1.9437 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6931 0.2504 1.7323 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 1 23 1 0 0 0 0 2 7 2 0 0 0 0 2 8 2 0 0 0 0 2 26 1 0 0 0 0 2 31 1 0 0 0 0 3 25 1 0 0 0 0 4 25 1 0 0 0 0 5 25 1 0 0 0 0 6 20 2 0 0 0 0 9 13 1 0 0 0 0 10 13 2 0 0 0 0 11 17 1 0 0 0 0 11 18 1 0 0 0 0 11 20 1 0 0 0 0 12 22 1 0 0 0 0 12 23 2 0 0 0 0 13 28 1 0 0 0 0 14 15 1 0 0 0 0 14 16 1 0 0 0 0 14 19 1 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 15 33 1 0 0 0 0 15 34 1 0 0 0 0 16 18 1 0 0 0 0 16 35 1 0 0 0 0 16 36 1 0 0 0 0 17 37 1 0 0 0 0 17 38 1 0 0 0 0 18 39 1 0 0 0 0 18 40 1 0 0 0 0 19 41 1 0 0 0 0 19 42 1 0 0 0 0 19 43 1 0 0 0 0 20 21 1 0 0 0 0 21 22 2 0 0 0 0 22 25 1 0 0 0 0 23 24 1 0 0 0 0 24 27 2 0 0 0 0 24 29 1 0 0 0 0 26 28 2 0 0 0 0 26 30 1 0 0 0 0 27 28 1 0 0 0 0 27 44 1 0 0 0 0 29 30 2 0 0 0 0 29 45 1 0 0 0 0 30 46 1 0 0 0 0 31 47 1 0 0 0 0 31 48 1 0 0 0 0 31 49 1 0 0 0 0 M CHG 2 9 -1 13 1 M END $$$$