B7KD3M -OEChem-04022108103D 37 39 0 1 0 0 0 0 0999 V2000 -4.3536 -1.1653 -2.2666 Cl 0 0 0 0 0 0 0 0 0 0 0 0 0.8345 3.9135 -1.2552 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.9496 2.8377 -0.6146 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2877 1.5647 0.3838 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.7769 0.3822 1.0909 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.4469 -1.5389 0.2968 N 0 0 0 0 0 0 0 0 0 0 0 0 2.7140 0.3871 1.1276 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0311 1.8404 0.1571 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2071 1.3625 0.4429 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6945 -0.8294 0.2646 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4879 2.9546 -0.6164 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0862 0.6889 1.7480 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8588 2.4346 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9717 -0.7220 -1.0984 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4004 -2.0745 0.8204 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0147 -0.2653 0.8226 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9542 -1.8595 -1.9055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3831 -3.2121 0.0133 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6600 -3.1045 -1.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4854 -0.3597 -0.4823 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7587 -0.8070 1.8651 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6962 -1.0004 -0.6902 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9573 -1.4276 1.5521 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0256 0.2394 1.9709 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0349 2.1372 -0.0036 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8440 0.8663 0.9757 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0408 1.5812 2.3822 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4293 -0.1501 2.3630 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2622 -0.1167 1.8144 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2245 0.2280 -1.5607 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1839 -2.1725 1.8809 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1742 -1.7770 -2.9659 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1544 -4.1816 0.4460 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6476 -3.9904 -1.9779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9235 0.0303 -1.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4208 -0.7502 2.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5751 -1.8659 2.3290 H 0 0 0 0 0 0 0 0 0 0 0 0 1 22 1 0 0 0 0 2 11 2 0 0 0 0 3 13 2 0 0 0 0 4 7 1 0 0 0 0 4 8 1 0 0 0 0 4 25 1 0 0 0 0 5 9 1 0 0 0 0 5 16 1 0 0 0 0 5 29 1 0 0 0 0 6 22 2 0 0 0 0 6 23 1 0 0 0 0 7 10 1 0 0 0 0 7 12 1 0 0 0 0 7 24 1 0 0 0 0 8 9 2 0 0 0 0 8 11 1 0 0 0 0 9 13 1 0 0 0 0 10 14 2 0 0 0 0 10 15 1 0 0 0 0 11 13 1 0 0 0 0 12 26 1 0 0 0 0 12 27 1 0 0 0 0 12 28 1 0 0 0 0 14 17 1 0 0 0 0 14 30 1 0 0 0 0 15 18 2 0 0 0 0 15 31 1 0 0 0 0 16 20 2 0 0 0 0 16 21 1 0 0 0 0 17 19 2 0 0 0 0 17 32 1 0 0 0 0 18 19 1 0 0 0 0 18 33 1 0 0 0 0 19 34 1 0 0 0 0 20 22 1 0 0 0 0 20 35 1 0 0 0 0 21 23 2 0 0 0 0 21 36 1 0 0 0 0 23 37 1 0 0 0 0 M END $$$$