B12EWT -OEChem-04012113423D 44 46 0 0 0 0 0 0 0999 V2000 -0.1018 3.6155 2.0901 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.1500 0.1405 -0.9206 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.0691 -3.6637 0.1537 F 0 0 0 0 0 0 0 0 0 0 0 0 5.4641 0.6791 -0.5903 O 0 0 0 0 0 0 0 0 0 0 0 0 3.7682 0.0309 -2.3232 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9165 2.8511 -1.2778 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5267 -2.4360 1.1475 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0956 -0.8861 1.9939 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9953 -1.3972 -0.1590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.5183 0.9815 0.0136 N 0 0 0 0 0 0 0 0 0 0 0 0 2.9554 1.1058 -0.0900 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7220 1.9406 0.0997 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6492 1.1701 -0.5753 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3079 1.8127 1.0594 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0480 2.6482 1.2387 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6847 -1.9837 -0.0781 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3541 2.5838 1.7239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6565 1.9795 -0.4552 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8504 0.7581 -0.3464 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5810 -0.2885 0.2160 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9806 -2.2559 -1.2448 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1366 -2.2719 1.1661 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4481 1.6012 -1.2833 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9091 -0.4922 -0.1584 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7095 -2.8249 -1.1664 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8655 -2.8410 1.2445 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7763 1.3976 -1.6577 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1519 -3.1174 0.0784 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5068 0.3509 -1.0953 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9866 -1.1888 1.1964 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3595 0.6343 -1.4744 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3168 1.7714 1.4600 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5877 -1.5515 0.6674 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6446 3.1273 2.6195 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1248 0.3361 0.6938 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4028 -2.0661 -2.2262 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6834 -2.0579 2.0803 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9585 2.4333 -1.7672 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5100 -1.2897 0.2706 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1556 -3.0455 -2.0740 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4299 -3.0672 2.2132 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2435 2.0539 -2.3865 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5419 0.1946 -1.3847 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1195 -3.0361 1.8081 H 0 0 0 0 0 0 0 0 0 0 0 0 1 15 1 0 0 0 0 2 4 2 0 0 0 0 2 5 2 0 0 0 0 2 9 1 0 0 0 0 2 11 1 0 0 0 0 3 28 1 0 0 0 0 6 18 2 0 0 0 0 7 30 1 0 0 0 0 7 44 1 0 0 0 0 8 30 2 0 0 0 0 9 16 1 0 0 0 0 9 33 1 0 0 0 0 10 18 1 0 0 0 0 10 19 1 0 0 0 0 10 35 1 0 0 0 0 11 13 2 0 0 0 0 11 14 1 0 0 0 0 12 13 1 0 0 0 0 12 15 2 0 0 0 0 12 18 1 0 0 0 0 13 31 1 0 0 0 0 14 17 2 0 0 0 0 14 32 1 0 0 0 0 15 17 1 0 0 0 0 16 21 2 0 0 0 0 16 22 1 0 0 0 0 17 34 1 0 0 0 0 19 20 1 0 0 0 0 19 23 2 0 0 0 0 20 24 2 0 0 0 0 20 30 1 0 0 0 0 21 25 1 0 0 0 0 21 36 1 0 0 0 0 22 26 2 0 0 0 0 22 37 1 0 0 0 0 23 27 1 0 0 0 0 23 38 1 0 0 0 0 24 29 1 0 0 0 0 24 39 1 0 0 0 0 25 28 2 0 0 0 0 25 40 1 0 0 0 0 26 28 1 0 0 0 0 26 41 1 0 0 0 0 27 29 2 0 0 0 0 27 42 1 0 0 0 0 29 43 1 0 0 0 0 M END $$$$