RDKit 3D 110113 0 0 0 0 0 0 0 0999 V2000 -4.2272 -4.2195 -3.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1975 -3.9255 -2.5775 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2122 -2.7034 -1.8759 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1544 -1.9505 -2.1280 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1402 -2.4345 -0.9336 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.1986 -1.2216 -0.2641 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2958 -1.3454 0.8126 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9676 -1.3287 2.1238 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7254 -0.1597 2.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8705 0.3408 1.7814 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0195 -0.5823 1.5713 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.5844 -1.0115 2.8219 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.6551 -2.3584 3.1771 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2499 -2.7549 4.4858 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2009 -3.1961 2.3526 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.1085 0.0556 0.7257 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6835 0.4710 -0.6359 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7239 1.2654 1.4034 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7941 1.8498 0.5108 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6535 3.0761 0.1045 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.6240 3.7234 -0.7524 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3629 5.0456 -1.1316 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2332 5.7173 -1.9383 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3554 5.0723 -2.3625 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.6542 3.7766 -2.0171 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7638 3.0915 -1.1928 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.5178 -2.4979 0.7197 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2347 -2.3270 -0.4361 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3146 -3.3208 -0.5045 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1338 -3.3716 -1.4502 O 0 0 0 0 0 0 0 0 0 0 0 0 1.4432 -4.2484 0.5158 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7141 -0.9179 -0.3412 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0888 -0.7937 -0.0152 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9922 -0.2326 -0.9039 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5528 0.1595 -2.0096 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4671 -0.0835 -0.5825 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1115 -1.3212 -1.0709 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5283 -1.5912 -0.9008 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5239 -0.7370 -1.5396 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5851 0.6720 -1.1328 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8184 0.8210 0.3565 C 0 0 0 0 0 0 0 0 0 0 0 0 9.0937 0.2202 0.8309 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3280 0.8228 0.2412 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4693 2.2482 0.5796 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0095 3.3082 -0.1539 C 0 0 0 0 0 0 0 0 0 0 0 0 10.1988 4.6018 0.2650 C 0 0 0 0 0 0 0 0 0 0 0 0 10.8674 4.8697 1.4531 C 0 0 0 0 0 0 0 0 0 0 0 0 11.3360 3.8177 2.2019 C 0 0 0 0 0 0 0 0 0 0 0 0 11.1388 2.5338 1.7701 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1983 -0.2939 0.6897 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4391 -0.0821 1.8992 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7593 -2.5064 -1.5928 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5987 -1.4716 -2.5079 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5580 -3.7967 -2.2500 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6601 -4.8589 -1.5991 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2543 -3.8551 -3.5910 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1058 -4.5561 -2.9245 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8891 -5.0836 -4.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4675 -3.3356 -4.1365 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1047 -3.2272 -0.1298 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5905 -2.2523 2.1967 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1606 -1.5084 2.9027 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0128 0.7055 2.7115 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0978 -0.3663 3.6034 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2904 1.2062 2.3920 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6143 0.8247 0.8181 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7022 -1.5040 1.0498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8581 -2.1374 5.3065 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0282 -3.8426 4.6217 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3504 -2.6131 4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9744 -0.6639 0.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1513 -0.1997 -1.4209 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0835 1.4865 -0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5996 0.4016 -0.8498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9621 2.0098 1.6265 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2505 0.9959 2.3430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6328 1.2455 0.2377 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7641 3.6167 0.4346 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4685 5.5594 -0.7937 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0283 6.7540 -2.2360 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.0755 5.5805 -3.0115 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5306 3.2771 -2.3502 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0105 2.0861 -0.9334 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5841 -4.6842 0.8806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5640 -0.4783 -1.3727 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7656 0.7970 -1.1507 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6125 0.1173 0.4879 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5525 -2.2171 -0.6139 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8029 -1.4218 -2.1720 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7659 -1.7239 0.2178 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7329 -2.6705 -1.2744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4128 -0.7355 -2.6842 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -1.1869 -1.4430 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5010 1.1194 -1.6798 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7737 1.2794 -1.4549 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9760 0.3052 0.8576 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8337 1.9059 0.5963 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1140 -0.8907 0.7599 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1421 0.4212 1.9423 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1942 0.2431 0.6591 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3814 0.6501 -0.8593 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4953 3.1299 -1.0738 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8408 5.4295 -0.3057 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0107 5.8859 1.7716 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8494 4.0691 3.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5142 1.7360 2.3730 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5453 0.6640 0.3039 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8748 -0.8949 2.2589 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4096 -1.3447 -3.0490 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7096 -4.0251 -3.8942 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 5 1 0 5 6 1 0 6 7 1 0 7 8 1 1 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 13 15 2 0 11 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 7 27 1 0 27 28 1 0 28 32 1 0 32 33 1 0 33 34 1 0 34 35 2 0 34 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 45 46 1 0 46 47 2 0 47 48 1 0 48 49 2 0 32 50 1 0 50 51 1 0 28 29 1 6 29 31 1 0 29 30 2 0 28 52 1 0 52 53 1 6 52 54 1 0 54 56 1 0 54 55 2 0 52 5 1 0 50 7 1 0 26 21 1 0 49 44 1 0 1 57 1 0 1 58 1 0 1 59 1 0 5 60 1 1 8 61 1 0 8 62 1 0 9 63 1 0 9 64 1 0 10 65 1 0 10 66 1 0 11 67 1 6 14 68 1 0 14 69 1 0 14 70 1 0 16 71 1 6 17 72 1 0 17 73 1 0 17 74 1 0 18 75 1 0 18 76 1 0 19 77 1 0 20 78 1 0 22 79 1 0 23 80 1 0 24 81 1 0 25 82 1 0 26 83 1 0 32 85 1 6 36 86 1 0 36 87 1 0 37 88 1 0 37 89 1 0 38 90 1 0 38 91 1 0 39 92 1 0 39 93 1 0 40 94 1 0 40 95 1 0 41 96 1 0 41 97 1 0 42 98 1 0 42 99 1 0 43100 1 0 43101 1 0 45102 1 0 46103 1 0 47104 1 0 48105 1 0 49106 1 0 50107 1 6 51108 1 0 31 84 1 0 53109 1 0 56110 1 0 M END