B7KX4E -OEChem-04022112243D 79 81 0 1 0 0 0 0 0999 V2000 5.3658 -1.0493 -0.8297 O 0 0 0 0 0 0 0 0 0 0 0 0 5.7537 3.1975 2.1364 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1047 4.0462 0.1318 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9592 -0.7942 -0.8443 C 0 0 1 0 0 0 0 0 0 0 0 0 0.0033 -1.4824 0.1810 C 0 0 1 0 0 0 0 0 0 0 0 0 1.4972 -1.3066 -0.1673 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9154 0.1779 -0.3256 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0177 -0.0593 0.0439 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2167 0.2098 -1.7576 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.4244 -0.9595 1.5587 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8317 1.0352 -1.0138 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4399 -2.0521 0.8208 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9202 -0.7433 1.4051 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3330 0.2724 -0.9901 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4483 -0.0158 -0.4790 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.5877 -1.8776 -1.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8173 -1.3895 0.9521 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2663 -0.7694 -0.3497 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5903 -3.5236 0.4145 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9551 1.6552 -0.7280 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3096 0.0070 -2.5074 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4711 0.2966 0.6293 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5537 1.0279 -1.5929 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5254 1.7652 0.6716 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4473 -4.2806 1.4075 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9101 0.4132 0.1168 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9191 0.7966 1.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1521 3.1138 0.9242 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3955 0.8637 0.7729 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8415 -0.5050 0.2499 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6429 1.9301 -0.2943 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2101 -2.5607 0.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6204 -1.7840 -1.1492 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9967 0.5889 0.6892 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6928 0.9774 0.2086 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9012 0.8993 -2.2530 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2892 -0.3301 -2.5690 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0687 -0.0144 1.8094 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2089 -1.6751 2.3581 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2671 1.7636 -1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3356 1.6445 -0.2486 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9982 -2.0354 1.8247 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4415 -1.7083 1.4101 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3050 -0.1287 2.2246 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7468 -0.9862 -0.8884 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1851 -2.5889 -1.1634 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8056 -2.4573 -2.2497 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2193 -1.4509 -2.5295 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6062 -2.0502 1.3148 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7571 -0.5969 1.7049 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6022 -3.9961 0.3767 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0266 -3.6134 -0.5873 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7744 1.8319 -1.4393 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2324 2.4585 -0.9114 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7098 0.7465 -3.0461 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9138 -0.9865 -2.7402 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3187 0.0463 -2.9354 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4623 -0.4915 1.3908 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1946 1.2329 1.1309 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3259 2.0353 -1.2292 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8885 0.8005 -2.4261 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5449 1.0459 -2.0530 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7467 1.6432 1.4298 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 1.0455 0.8445 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5160 -4.1024 1.2603 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2986 -5.3575 1.2689 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1832 -4.0446 2.4432 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1881 -0.5392 -0.3460 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9775 1.1851 -0.6525 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6328 1.7706 1.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8325 0.0770 2.0323 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9962 1.1120 1.6566 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1455 4.0835 2.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6083 -1.2973 0.9690 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3756 -0.7573 -0.7078 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9259 -0.5118 0.0925 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2853 2.9079 0.0445 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1436 1.6914 -1.2387 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7147 2.0206 -0.5021 H 0 0 0 0 0 0 0 0 0 0 0 0 1 18 2 0 0 0 0 2 28 1 0 0 0 0 2 73 1 0 0 0 0 3 28 2 0 0 0 0 4 5 1 0 0 0 0 4 8 1 0 0 0 0 4 9 1 0 0 0 0 4 16 1 0 0 0 0 5 6 1 0 0 0 0 5 10 1 0 0 0 0 5 32 1 0 0 0 0 6 7 1 0 0 0 0 6 12 1 0 0 0 0 6 33 1 0 0 0 0 7 11 1 0 0 0 0 7 14 1 0 0 0 0 7 34 1 0 0 0 0 8 13 1 0 0 0 0 8 15 1 0 0 0 0 8 35 1 0 0 0 0 9 11 1 0 0 0 0 9 36 1 0 0 0 0 9 37 1 0 0 0 0 10 13 1 0 0 0 0 10 38 1 0 0 0 0 10 39 1 0 0 0 0 11 40 1 0 0 0 0 11 41 1 0 0 0 0 12 17 1 0 0 0 0 12 19 1 0 0 0 0 12 42 1 0 0 0 0 13 43 1 0 0 0 0 13 44 1 0 0 0 0 14 18 1 0 0 0 0 14 20 1 0 0 0 0 14 21 1 0 0 0 0 15 22 1 0 0 0 0 15 23 1 0 0 0 0 15 45 1 0 0 0 0 16 46 1 0 0 0 0 16 47 1 0 0 0 0 16 48 1 0 0 0 0 17 18 1 0 0 0 0 17 49 1 0 0 0 0 17 50 1 0 0 0 0 19 25 1 0 0 0 0 19 51 1 0 0 0 0 19 52 1 0 0 0 0 20 24 1 0 0 0 0 20 53 1 0 0 0 0 20 54 1 0 0 0 0 21 55 1 0 0 0 0 21 56 1 0 0 0 0 21 57 1 0 0 0 0 22 26 1 0 0 0 0 22 58 1 0 0 0 0 22 59 1 0 0 0 0 23 60 1 0 0 0 0 23 61 1 0 0 0 0 23 62 1 0 0 0 0 24 28 1 0 0 0 0 24 63 1 0 0 0 0 24 64 1 0 0 0 0 25 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 26 27 1 0 0 0 0 26 68 1 0 0 0 0 26 69 1 0 0 0 0 27 29 1 0 0 0 0 27 70 1 0 0 0 0 27 71 1 0 0 0 0 29 30 1 0 0 0 0 29 31 1 0 0 0 0 29 72 1 0 0 0 0 30 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 77 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 M END $$$$