B2GAP0 -OEChem-04042105413D 84 87 0 1 0 0 0 0 0999 V2000 -6.6300 0.4872 0.0370 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1693 2.4008 1.3211 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1517 -0.5381 0.5609 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9563 -1.1707 -0.1985 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3286 0.0798 -0.8521 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1508 -0.1100 -1.2053 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.9383 -0.4279 0.1076 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.4818 -0.5863 -0.1572 C 0 0 2 0 0 0 0 0 0 0 0 0 3.4094 -0.6613 -0.0370 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.9736 0.7270 -0.8478 C 0 0 1 0 0 0 0 0 0 0 0 0 1.2158 -1.4335 1.1205 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2991 -1.5991 0.8998 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3155 0.4401 -1.9583 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7229 1.1266 -1.9129 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6900 0.0730 -1.3691 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.2268 1.0166 -2.1543 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2561 -0.7325 1.1840 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9064 -2.4408 -1.0847 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4648 -1.7056 0.2972 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.4933 0.7608 -1.0523 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7659 -1.8398 -1.0240 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7764 -0.6674 1.0220 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2296 0.5824 0.2750 C 0 0 2 0 0 0 0 0 0 0 0 0 5.8982 -1.2365 -0.0339 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3790 -2.0766 1.7829 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2913 0.0620 0.6779 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4021 1.0113 1.1193 C 0 0 1 0 0 0 0 0 0 0 0 0 7.6909 0.5665 0.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1754 1.8321 1.0345 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8717 0.8407 0.7589 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2185 2.9927 0.7460 C 0 0 0 0 0 0 0 0 0 0 0 0 9.5992 2.2266 0.6412 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3724 0.9095 -0.1264 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2431 -0.9476 -1.9034 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8257 0.4551 0.7571 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4115 0.1093 0.7488 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7401 1.5611 -0.1674 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3820 -0.6064 1.8222 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5763 -2.3414 1.6099 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4821 -2.5494 0.3888 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7700 -1.6830 1.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2659 1.5021 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1229 -0.1355 -2.8707 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2211 1.2753 -2.8762 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5221 2.0232 -1.3123 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2102 -0.5571 -2.0984 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2841 0.9798 -1.2249 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5825 1.9609 -2.5843 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4312 0.2408 -2.9008 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9457 0.0639 1.8733 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0063 -1.6817 1.6723 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5122 -2.3453 -1.9913 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8922 -2.6887 -1.4088 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2701 -3.3166 -0.5356 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3225 -2.6200 -0.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7937 1.7199 -1.4943 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8181 0.0019 -1.7740 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2023 -1.8433 -1.9600 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8211 -1.9267 -1.2978 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5106 -2.7593 -0.4869 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1461 -1.5639 0.5094 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2375 -0.7008 2.0162 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0002 1.4620 0.8910 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0298 -1.1196 -1.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6067 -2.0242 0.2552 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2849 -2.6010 2.1082 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5546 -2.7666 1.9706 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2518 -1.2019 2.4288 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2714 -0.0972 1.7625 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5681 0.8503 0.4698 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1733 0.4652 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7206 0.7439 -0.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4104 -0.2394 0.4975 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1652 1.6372 2.1142 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5177 1.2326 1.5515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1105 1.3694 -0.1707 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7113 2.9022 0.6893 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0963 3.1531 -0.3306 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5987 3.9232 1.1823 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2312 2.8199 1.1844 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6666 2.4531 -0.4283 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9286 3.1100 1.1980 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2987 1.4129 0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0947 -0.6081 0.3341 H 0 0 0 0 0 0 0 0 0 0 0 0 1 23 1 0 0 0 0 1 27 1 0 0 0 0 2 27 1 0 0 0 0 2 77 1 0 0 0 0 3 30 1 0 0 0 0 3 84 1 0 0 0 0 4 5 1 0 0 0 0 4 9 1 0 0 0 0 4 11 1 0 0 0 0 4 18 1 0 0 0 0 5 6 1 0 0 0 0 5 13 1 0 0 0 0 5 33 1 0 0 0 0 6 7 1 0 0 0 0 6 14 1 0 0 0 0 6 34 1 0 0 0 0 7 8 1 0 0 0 0 7 12 1 0 0 0 0 7 35 1 0 0 0 0 8 10 1 0 0 0 0 8 17 1 0 0 0 0 8 21 1 0 0 0 0 9 15 1 0 0 0 0 9 19 1 0 0 0 0 9 36 1 0 0 0 0 10 16 1 0 0 0 0 10 20 1 0 0 0 0 10 37 1 0 0 0 0 11 12 1 0 0 0 0 11 38 1 0 0 0 0 11 39 1 0 0 0 0 12 40 1 0 0 0 0 12 41 1 0 0 0 0 13 15 1 0 0 0 0 13 42 1 0 0 0 0 13 43 1 0 0 0 0 14 16 1 0 0 0 0 14 44 1 0 0 0 0 14 45 1 0 0 0 0 15 46 1 0 0 0 0 15 47 1 0 0 0 0 16 48 1 0 0 0 0 16 49 1 0 0 0 0 17 22 1 0 0 0 0 17 50 1 0 0 0 0 17 51 1 0 0 0 0 18 52 1 0 0 0 0 18 53 1 0 0 0 0 18 54 1 0 0 0 0 19 24 1 0 0 0 0 19 25 1 0 0 0 0 19 55 1 0 0 0 0 20 23 1 0 0 0 0 20 56 1 0 0 0 0 20 57 1 0 0 0 0 21 58 1 0 0 0 0 21 59 1 0 0 0 0 21 60 1 0 0 0 0 22 23 1 0 0 0 0 22 61 1 0 0 0 0 22 62 1 0 0 0 0 23 63 1 0 0 0 0 24 26 1 0 0 0 0 24 64 1 0 0 0 0 24 65 1 0 0 0 0 25 66 1 0 0 0 0 25 67 1 0 0 0 0 25 68 1 0 0 0 0 26 28 1 0 0 0 0 26 69 1 0 0 0 0 26 70 1 0 0 0 0 27 30 1 0 0 0 0 27 71 1 0 0 0 0 28 29 1 0 0 0 0 28 72 1 0 0 0 0 28 73 1 0 0 0 0 29 31 1 0 0 0 0 29 32 1 0 0 0 0 29 74 1 0 0 0 0 30 75 1 0 0 0 0 30 76 1 0 0 0 0 31 78 1 0 0 0 0 31 79 1 0 0 0 0 31 80 1 0 0 0 0 32 81 1 0 0 0 0 32 82 1 0 0 0 0 32 83 1 0 0 0 0 M END $$$$