BD4IK9 -OEChem-04012114013D 45 45 0 0 0 0 0 0 0999 V2000 3.2351 -1.0083 2.5466 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -2.3810 1.2467 -1.3469 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.4916 -1.2186 1.2871 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7948 2.3198 0.6280 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6089 0.8978 0.5908 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8474 -1.6875 -0.5266 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.5653 -1.8240 -0.7832 N 0 0 0 0 0 0 0 0 0 0 0 0 0.6251 2.2370 0.2586 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8259 3.0065 -0.2917 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6613 3.0419 0.1181 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1097 2.1839 -0.1856 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3120 2.9586 -0.7013 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5659 -0.0231 0.0242 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1036 -1.4661 0.1380 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5780 1.4672 -0.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6052 -1.5453 0.1081 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8260 -1.7929 -0.5308 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2794 -1.4549 0.7338 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7071 -2.1030 -1.5540 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6517 -1.4261 0.9823 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0793 -2.0741 -1.3055 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5516 -1.7356 -0.0375 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7922 1.9820 1.3124 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5198 1.2907 -0.2838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9431 3.9460 0.2621 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6462 3.2702 -1.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8418 3.2939 -0.9327 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5915 3.9766 0.6844 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0047 1.2611 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2864 1.8996 0.8577 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0295 2.4269 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1802 3.2330 -1.7529 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4654 3.8754 -0.1231 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2178 2.3498 -0.6198 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5095 0.1134 0.5619 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7309 0.2411 -1.0264 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0006 -1.7484 1.1919 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8400 -2.1332 -0.3211 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6856 1.1285 1.5765 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8640 -1.9471 -1.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8338 -2.0797 -1.7301 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6349 -1.2036 1.5633 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3499 -2.3677 -2.5452 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7801 -2.3144 -2.0997 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 -1.7160 0.1412 H 0 0 0 0 0 0 0 0 0 0 0 0 1 20 1 0 0 0 0 2 15 2 0 0 0 0 3 16 2 0 0 0 0 4 10 1 0 0 0 0 4 15 1 0 0 0 0 4 31 1 0 0 0 0 5 13 1 0 0 0 0 5 15 1 0 0 0 0 5 39 1 0 0 0 0 6 14 1 0 0 0 0 6 16 1 0 0 0 0 6 40 1 0 0 0 0 7 16 1 0 0 0 0 7 17 1 0 0 0 0 7 41 1 0 0 0 0 8 9 1 0 0 0 0 8 10 1 0 0 0 0 8 23 1 0 0 0 0 8 24 1 0 0 0 0 9 11 1 0 0 0 0 9 25 1 0 0 0 0 9 26 1 0 0 0 0 10 27 1 0 0 0 0 10 28 1 0 0 0 0 11 12 1 0 0 0 0 11 29 1 0 0 0 0 11 30 1 0 0 0 0 12 32 1 0 0 0 0 12 33 1 0 0 0 0 12 34 1 0 0 0 0 13 14 1 0 0 0 0 13 35 1 0 0 0 0 13 36 1 0 0 0 0 14 37 1 0 0 0 0 14 38 1 0 0 0 0 17 18 2 0 0 0 0 17 19 1 0 0 0 0 18 20 1 0 0 0 0 18 42 1 0 0 0 0 19 21 2 0 0 0 0 19 43 1 0 0 0 0 20 22 2 0 0 0 0 21 22 1 0 0 0 0 21 44 1 0 0 0 0 22 45 1 0 0 0 0 M END $$$$