RDKit 3D 106111 0 0 0 0 0 0 0 0999 V2000 -4.1541 -0.6601 -3.6266 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7739 -0.5094 -3.1000 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7943 -0.2261 -3.8512 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4865 -0.6710 -1.7560 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1264 -0.5144 -1.2739 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0951 -0.7355 0.2156 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.0199 0.3286 0.7987 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2218 0.1989 0.0335 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5167 1.6826 0.5176 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2128 2.7314 1.1074 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8800 3.7348 0.4568 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8257 3.6504 -0.7898 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5948 4.8123 1.1449 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6398 4.8828 2.5123 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3150 5.9009 3.1676 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9665 6.8807 2.4486 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9167 6.8031 1.0703 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2467 5.7926 0.4352 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0242 1.9212 0.7596 C 0 0 2 0 0 0 0 0 0 0 0 0 0.7420 2.2264 -0.2903 O 0 0 0 0 0 0 0 0 0 0 0 0 1.1210 2.9131 -1.3237 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4774 3.9163 -1.8127 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3654 2.6092 -2.0727 C 0 0 2 0 0 0 0 0 0 0 0 0 2.2689 1.2676 -2.7443 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6406 2.8116 -1.2859 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8812 1.7728 -0.2507 C 0 0 0 0 0 0 0 0 0 0 0 0 5.2980 1.2792 -0.2698 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1863 1.9249 -1.0376 N 0 0 0 0 0 0 0 0 0 0 0 0 7.4825 1.5919 -1.1287 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9545 0.5246 -0.3979 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0598 -0.1524 0.3967 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7004 0.1996 0.4890 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8812 -0.6037 1.3612 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4068 -0.8196 2.5255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 -1.1697 1.1611 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1650 -1.9249 0.1624 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6872 -1.9727 -0.1608 C 0 0 2 0 0 0 0 0 0 0 0 0 1.7569 -2.6385 -1.5312 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1787 -0.7095 -0.1218 O 0 0 0 0 0 0 0 0 0 0 0 0 0.2138 -0.5975 0.9096 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5991 -1.6605 1.8604 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.3004 -2.2497 2.7059 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0503 -2.5412 4.0302 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8747 -3.1751 4.9884 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2174 -2.2338 4.3841 O 0 0 0 0 0 0 0 0 0 0 0 0 0.8852 -2.7756 0.8059 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.4834 -3.1845 0.4311 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.5916 -4.0652 -0.6689 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9746 -5.3829 -0.6111 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0305 -6.1543 -1.8732 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2617 -5.8771 0.5163 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5731 -2.1409 0.4602 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4776 -2.4950 -0.5807 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7936 -2.8117 -0.3929 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7703 -3.1858 -1.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2216 -2.7800 0.8102 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4082 0.7062 1.6049 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3084 0.9075 2.9175 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7479 0.8128 1.9284 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8359 -0.5852 -2.7527 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2651 -1.6633 -4.0693 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4030 0.1264 -4.3700 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6992 0.4174 -1.6338 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6086 -1.2993 -1.8360 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2859 0.0094 1.7780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6266 1.0713 -0.1383 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6375 1.8638 -0.5956 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1511 4.1480 3.1396 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3346 5.9324 4.2535 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5043 7.6916 2.9134 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4293 7.5741 0.5051 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2357 5.7738 -0.6414 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0846 2.7543 1.5394 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5037 3.3317 -2.9431 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6195 0.4221 -2.1633 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7123 1.2721 -3.7866 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1708 1.1031 -2.9516 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5230 2.8577 -1.9433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5517 3.8397 -0.8433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1835 0.9266 -0.3028 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6768 2.2777 0.7428 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1237 2.1716 -1.7750 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9985 0.2730 -0.4841 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4876 -0.9859 0.9641 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6809 -1.6267 -0.8161 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5647 -2.9865 0.2904 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2719 -1.9281 -2.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5178 -3.4774 -1.4121 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8606 -2.9660 -1.9896 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5223 -1.4243 2.4027 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6908 -4.2866 4.9049 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9254 -2.9232 4.8266 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5348 -2.9067 6.0131 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4437 -3.5845 1.2875 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7934 -3.8735 1.2993 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0173 -5.8922 -2.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2536 -5.8437 -2.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0567 -7.2392 -1.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2145 -2.1913 1.3907 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2622 -3.3604 -2.3810 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5823 -2.4490 -1.4470 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2629 -4.1674 -1.1608 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1015 1.6992 2.8669 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3968 1.3817 3.6870 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7025 0.0575 3.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9646 0.5183 2.8403 H 0 0 0 0 0 0 0 0 0 0 0 0 24 23 1 0 23 25 1 0 25 26 1 0 26 27 1 0 27 28 2 0 28 29 1 0 29 30 2 0 30 31 1 0 31 32 2 0 32 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 6 37 39 1 0 40 39 1 6 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 2 0 41 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 49 50 1 0 49 51 2 0 47 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 54 56 2 0 52 6 1 0 6 5 1 6 5 4 1 0 4 2 1 0 2 1 1 0 2 3 2 0 6 7 1 0 7 8 1 0 7 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 9 19 1 0 19 20 1 0 20 21 1 0 21 22 2 0 19 57 1 0 57 58 1 0 57 59 1 1 21 23 1 0 32 27 1 0 46 37 1 0 18 13 1 0 6 40 1 0 57 40 1 0 24 75 1 0 24 76 1 0 24 77 1 0 23 74 1 6 25 78 1 0 25 79 1 0 26 80 1 0 26 81 1 0 29 82 1 0 30 83 1 0 31 84 1 0 36 85 1 0 36 86 1 0 38 87 1 0 38 88 1 0 38 89 1 0 41 90 1 1 44 91 1 0 44 92 1 0 44 93 1 0 46 94 1 1 47 95 1 1 50 96 1 0 50 97 1 0 50 98 1 0 52 99 1 1 55100 1 0 55101 1 0 55102 1 0 5 63 1 0 5 64 1 0 1 60 1 0 1 61 1 0 1 62 1 0 7 65 1 1 8 66 1 0 9 67 1 6 14 68 1 0 15 69 1 0 16 70 1 0 17 71 1 0 18 72 1 0 19 73 1 1 58103 1 0 58104 1 0 58105 1 0 59106 1 0 M END