B5JKS2 -OEChem-04022118333D 42 44 0 0 0 0 0 0 0999 V2000 -4.9355 1.2348 2.3390 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -4.6332 -2.0784 -1.9911 Cl 0 0 0 0 0 0 0 0 0 0 0 0 6.4147 -1.2892 0.2043 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0336 -1.4431 1.0798 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4775 0.7404 -0.0196 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6551 0.4252 -0.2967 N 0 0 0 0 0 0 0 0 0 0 0 0 4.8118 1.9397 -0.2529 N 0 0 0 0 0 0 0 0 0 0 0 0 3.4966 2.2062 -0.3272 N 0 0 0 0 0 0 0 0 0 0 0 0 1.5071 0.8539 -0.2199 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9352 1.0017 -0.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2674 0.5675 -0.2715 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7281 1.7399 -0.9640 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8986 -0.1754 0.4987 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6591 1.5968 -0.9900 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4886 -0.3186 0.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8842 -0.0258 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0971 0.6174 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9031 -0.4109 0.1573 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4356 -0.5378 0.3568 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4134 0.0786 0.0312 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6585 0.3829 1.0204 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5250 -1.0859 -0.8931 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0357 0.5020 0.8330 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9020 -0.9668 -1.0805 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6573 -0.1729 -0.2174 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6794 -1.9486 0.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4460 -3.4334 0.5077 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1734 2.5468 -1.5411 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4782 -0.8746 1.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2539 2.2933 -1.5755 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8845 -1.1376 1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7182 -1.0872 0.0888 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1540 1.1121 -0.8585 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4616 2.7123 -0.3301 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6392 1.1160 1.4968 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4024 -1.4855 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7296 -0.0803 -0.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2697 -1.7715 -0.5785 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2147 -1.5471 1.1943 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3942 -3.9694 0.6050 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8937 -3.8430 -0.3445 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8396 -3.6222 1.3997 H 0 0 0 0 0 0 0 0 0 0 0 0 1 21 1 0 0 0 0 2 22 1 0 0 0 0 3 20 1 0 0 0 0 3 26 1 0 0 0 0 4 19 2 0 0 0 0 5 20 2 0 0 0 0 6 11 1 0 0 0 0 6 19 1 0 0 0 0 6 33 1 0 0 0 0 7 8 1 0 0 0 0 7 17 1 0 0 0 0 7 34 1 0 0 0 0 8 10 2 0 0 0 0 9 10 1 0 0 0 0 9 12 2 0 0 0 0 9 13 1 0 0 0 0 10 16 1 0 0 0 0 11 14 2 0 0 0 0 11 15 1 0 0 0 0 12 14 1 0 0 0 0 12 28 1 0 0 0 0 13 15 2 0 0 0 0 13 29 1 0 0 0 0 14 30 1 0 0 0 0 15 31 1 0 0 0 0 16 17 2 0 0 0 0 16 32 1 0 0 0 0 17 20 1 0 0 0 0 18 19 1 0 0 0 0 18 21 2 0 0 0 0 18 22 1 0 0 0 0 21 23 1 0 0 0 0 22 24 2 0 0 0 0 23 25 2 0 0 0 0 23 35 1 0 0 0 0 24 25 1 0 0 0 0 24 36 1 0 0 0 0 25 37 1 0 0 0 0 26 27 1 0 0 0 0 26 38 1 0 0 0 0 26 39 1 0 0 0 0 27 40 1 0 0 0 0 27 41 1 0 0 0 0 27 42 1 0 0 0 0 M END $$$$