RDKit 3D 110115 0 0 0 0 0 0 0 0999 V2000 6.3373 -0.3200 2.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0414 0.1676 1.1947 O 0 0 0 0 0 0 0 0 0 0 0 0 6.4485 0.5132 -0.0158 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0670 0.3836 -0.1795 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4402 0.7148 -1.3684 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9971 0.5360 -1.4660 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2947 0.8587 -2.5258 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8491 0.6651 -2.5906 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2133 1.0182 -3.6578 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1193 0.1321 -1.5940 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.2850 -0.0309 -1.7005 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7854 0.7809 -0.3977 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6667 -0.2721 -0.0083 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7197 -0.1366 -1.1111 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5859 0.7389 -1.6183 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5416 1.8715 -1.0573 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4975 0.4425 -2.7085 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1997 1.5003 -3.1670 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1066 1.3807 -4.1768 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3293 0.1581 -4.7617 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6288 -0.9358 -4.3149 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7019 -0.7762 -3.2712 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0793 0.2954 0.3235 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2960 -1.1391 0.3910 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.6658 -1.2397 0.4451 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.2961 -1.6917 1.5525 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1917 -3.2101 1.7007 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7754 -3.8468 0.6000 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0896 -0.9933 2.6951 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.2198 -0.7145 3.3792 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1429 -1.3587 4.7634 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2842 -1.0855 5.5192 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3521 -1.4052 2.6627 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.6908 -2.6250 3.1510 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.7732 -1.4139 1.2518 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0587 -0.4182 0.4933 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.3692 0.5457 -0.2957 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0802 0.1168 -1.3015 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1065 1.9795 -0.3060 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3240 2.6090 0.6287 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0650 3.9666 0.6548 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6241 4.7497 -0.3161 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4190 4.1654 -1.2783 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6650 2.8063 -1.2863 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5869 -2.1561 -0.5435 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9546 -3.1721 0.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6153 -1.5897 -1.6359 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4327 -2.3450 -1.6698 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2424 1.1755 -2.3769 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5939 1.3069 -2.2301 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2535 0.9776 -1.0326 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5983 1.1437 -1.0011 O 0 0 0 0 0 0 0 0 0 0 0 0 9.5183 0.9929 0.0143 C 0 0 2 0 0 0 0 0 0 0 0 0 10.6337 1.8253 -0.1497 O 0 0 0 0 0 0 0 0 0 0 0 0 11.4646 1.7487 0.9317 C 0 0 1 0 0 0 0 0 0 0 0 0 10.8970 2.4153 2.1818 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9811 0.3765 1.2536 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5636 0.4246 2.5276 O 0 0 0 0 0 0 0 0 0 0 0 0 10.8648 -0.6378 1.2417 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4273 -1.9048 1.2805 O 0 0 0 0 0 0 0 0 0 0 0 0 10.1104 -0.4453 -0.0493 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9702 -0.5062 -1.1117 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 0.3373 2.4379 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0333 -1.3490 2.0879 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9522 -0.2781 3.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5099 0.0109 0.6665 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4725 0.1146 -0.6252 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8049 1.2859 -3.3889 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5044 0.3628 -2.6250 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4836 1.6585 -0.1914 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7555 -0.8689 -0.1437 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6605 -0.5491 0.9781 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0546 2.4916 -2.7347 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6752 2.2549 -4.5418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0649 0.0711 -5.5824 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7974 -1.8985 -4.7699 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1834 -1.6447 -2.9306 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1359 -1.5191 1.4528 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7288 -3.5642 2.5944 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1377 -3.5631 1.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5808 -3.3619 -0.2464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4092 0.3648 3.5567 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1421 -2.4783 4.6569 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2039 -1.1027 5.2766 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0607 -0.3118 6.1054 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2073 -0.6631 2.7154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6686 -2.8165 3.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -2.3876 0.8246 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8635 2.0221 1.4150 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4298 4.3992 1.4305 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4307 5.8197 -0.3084 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8729 4.7659 -2.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2865 2.3365 -2.0314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3490 -2.7564 -1.0846 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9357 -2.9082 1.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9915 -1.8390 -2.6540 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5078 -3.1950 -2.1230 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7587 1.4401 -3.3212 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1779 1.6791 -3.0665 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0447 1.0922 1.0134 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3836 2.3657 0.6708 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9794 2.9762 1.8689 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6021 3.1457 2.6273 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6324 1.6304 2.9098 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7506 0.1140 0.4947 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1574 -0.3872 2.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2094 -0.4774 2.1336 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7677 -2.5902 1.6292 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2738 -1.1705 -0.0864 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6598 0.0164 -1.8856 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 4 5 1 0 5 6 1 0 6 7 2 0 7 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 20 21 1 0 21 22 2 0 12 23 1 0 23 24 1 0 24 25 1 0 26 25 1 6 26 27 1 0 27 28 1 0 26 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 30 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 2 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 24 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 5 49 2 0 49 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 1 0 57 58 1 0 57 59 1 0 59 60 1 0 59 61 1 0 61 62 1 0 51 3 1 0 61 53 1 0 47 11 1 0 22 17 1 0 35 26 1 0 44 39 1 0 1 63 1 0 1 64 1 0 1 65 1 0 4 66 1 0 6 67 1 0 7 68 1 0 11 69 1 6 12 70 1 1 13 71 1 0 13 72 1 0 18 73 1 0 19 74 1 0 20 75 1 0 21 76 1 0 22 77 1 0 24 78 1 1 27 79 1 0 27 80 1 0 28 81 1 0 30 82 1 1 31 83 1 0 31 84 1 0 32 85 1 0 33 86 1 6 34 87 1 0 35 88 1 6 40 89 1 0 41 90 1 0 42 91 1 0 43 92 1 0 44 93 1 0 45 94 1 6 46 95 1 0 47 96 1 6 48 97 1 0 49 98 1 0 50 99 1 0 53100 1 1 55101 1 6 56102 1 0 56103 1 0 56104 1 0 57105 1 6 58106 1 0 59107 1 1 60108 1 0 61109 1 6 62110 1 0 M END