D0K4YE OpenBabel08032011333D 82 85 0 0 0 0 0 0 0 0999 V2000 6.2781 -8.9471 3.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3122 -7.9335 4.7488 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 -6.6268 4.4331 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4592 -6.2946 3.1473 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4540 -7.3211 2.1841 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8590 -8.6303 2.4974 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8508 -4.9719 2.8072 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0627 -3.7618 3.3677 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2503 -2.5396 2.9237 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5688 -1.3709 3.5704 N 0 0 0 0 0 0 0 0 0 0 0 0 3.9997 -0.0280 3.1624 C 0 0 2 0 0 0 0 0 0 0 0 0 5.0587 1.0395 3.5901 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6582 2.3505 3.4910 N 0 0 0 0 0 0 0 0 0 0 0 0 5.5018 3.5061 3.8215 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6025 3.9114 2.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3721 3.6127 1.2900 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2994 4.2245 0.4583 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4796 3.9043 -0.9486 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2077 5.0240 -1.9197 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6104 6.2377 -1.5640 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7285 7.3487 -2.4001 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4971 7.2620 -3.5560 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8512 6.0120 -4.0473 C 0 0 0 0 0 0 0 0 0 0 0 0 7.6747 4.8872 -3.2439 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3215 -2.6450 2.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1881 0.7235 3.9550 O 0 0 0 0 0 0 0 0 0 0 0 0 7.5564 4.6238 3.0757 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4416 2.9211 0.9132 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0751 3.4709 5.2616 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5850 0.2556 3.7788 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0825 3.1813 6.3973 C 0 0 2 0 0 0 0 0 0 0 0 0 1.4753 0.9668 2.9100 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1960 2.4899 3.0931 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1327 3.0578 2.1123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2919 2.5690 0.6729 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4172 1.0557 0.6389 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6476 0.6436 1.4273 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0309 4.2612 6.6971 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6294 3.9284 8.1260 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8764 3.5424 8.7074 N 0 0 0 0 0 0 0 0 0 0 0 0 5.7800 3.1168 7.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9161 2.7500 7.9847 O 0 0 0 0 0 0 0 0 0 0 0 0 6.5609 -9.9667 4.0415 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6300 -8.1836 5.7622 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9290 -5.8853 5.2235 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1134 -7.1269 1.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8259 -9.4160 1.7359 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1113 -5.0439 2.0103 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7915 -3.6157 4.1530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4321 -1.3176 4.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9843 -0.0433 2.0713 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9254 2.5219 2.8150 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7985 4.3498 3.7847 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0480 4.7356 0.9219 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9086 3.0052 -1.2162 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5464 3.6690 -1.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1117 6.3522 -0.6066 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2735 8.2962 -2.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8274 8.1640 -4.0637 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3084 5.9214 -5.0291 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9857 3.9166 -3.6249 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5729 4.4276 5.4715 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8785 2.7249 5.3050 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6699 0.7516 4.7543 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1526 -0.7321 4.0048 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5908 2.2128 6.2445 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5357 0.4962 3.2405 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0988 3.0849 2.9549 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8479 2.6903 4.1151 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8721 2.7878 2.4617 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1699 4.1555 2.1157 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1835 3.0243 0.2234 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5632 2.8832 0.0627 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5027 0.6995 -0.3916 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4794 0.5937 1.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5198 1.1825 1.0344 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8203 -0.4272 1.2928 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4933 5.2573 6.6801 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1819 4.2599 6.0092 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9509 3.0670 8.1740 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1943 4.7669 8.6781 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1510 3.6443 9.6773 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 0 0 0 0 1 43 1 0 0 0 0 2 3 1 0 0 0 0 2 44 1 0 0 0 0 3 4 2 0 0 0 0 3 45 1 0 0 0 0 4 5 1 0 0 0 0 4 7 1 0 0 0 0 5 6 2 0 0 0 0 5 46 1 0 0 0 0 6 1 1 0 0 0 0 6 47 1 0 0 0 0 7 8 2 0 0 0 0 7 48 1 0 0 0 0 8 9 1 0 0 0 0 8 49 1 0 0 0 0 9 10 1 0 0 0 0 9 25 2 0 0 0 0 10 50 1 0 0 0 0 11 30 1 0 0 0 0 11 12 1 0 0 0 0 11 10 1 0 0 0 0 11 51 1 6 0 0 0 12 13 1 0 0 0 0 12 26 2 0 0 0 0 13 52 1 0 0 0 0 14 29 1 0 0 0 0 14 15 1 0 0 0 0 14 13 1 0 0 0 0 14 53 1 1 0 0 0 15 16 1 0 0 0 0 15 27 2 0 0 0 0 16 17 1 0 0 0 0 16 28 2 0 0 0 0 17 18 1 0 0 0 0 17 54 1 0 0 0 0 18 19 1 0 0 0 0 18 55 1 0 0 0 0 18 56 1 0 0 0 0 19 20 2 0 0 0 0 20 21 1 0 0 0 0 20 57 1 0 0 0 0 21 22 2 0 0 0 0 21 58 1 0 0 0 0 22 23 1 0 0 0 0 22 59 1 0 0 0 0 23 24 2 0 0 0 0 23 60 1 0 0 0 0 24 19 1 0 0 0 0 24 61 1 0 0 0 0 29 31 1 0 0 0 0 29 62 1 0 0 0 0 29 63 1 0 0 0 0 30 32 1 0 0 0 0 30 64 1 0 0 0 0 30 65 1 0 0 0 0 31 38 1 0 0 0 0 31 66 1 6 0 0 0 32 33 1 0 0 0 0 32 67 1 0 0 0 0 33 34 1 0 0 0 0 33 68 1 0 0 0 0 33 69 1 0 0 0 0 34 35 1 0 0 0 0 34 70 1 0 0 0 0 34 71 1 0 0 0 0 35 36 1 0 0 0 0 35 72 1 0 0 0 0 35 73 1 0 0 0 0 36 37 1 0 0 0 0 36 74 1 0 0 0 0 36 75 1 0 0 0 0 37 32 1 0 0 0 0 37 76 1 0 0 0 0 37 77 1 0 0 0 0 38 39 1 0 0 0 0 38 78 1 0 0 0 0 38 79 1 0 0 0 0 39 40 1 0 0 0 0 39 80 1 0 0 0 0 39 81 1 0 0 0 0 40 41 1 0 0 0 0 40 82 1 0 0 0 0 41 31 1 0 0 0 0 41 42 2 0 0 0 0 M END $$$$