RDKit 3D 111119 0 0 0 0 0 0 0 0999 V2000 12.9326 2.1821 1.2266 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1306 1.5925 0.0600 C 0 0 2 0 0 0 0 0 0 0 0 0 11.4736 0.4725 0.5668 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8654 -0.6906 -0.1247 C 0 0 1 0 0 0 0 0 0 0 0 0 11.0626 -1.7186 0.3922 O 0 0 0 0 0 0 0 0 0 0 0 0 9.7505 -1.2505 0.2775 C 0 0 2 0 0 0 0 0 0 0 0 0 8.7446 -2.1750 0.8960 C 0 0 1 0 0 0 0 0 0 0 0 0 9.1627 -2.7141 2.2292 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5454 -1.4523 0.9816 O 0 0 0 0 0 0 0 0 0 0 0 0 7.0648 -1.2895 -0.3064 C 0 0 1 0 0 0 0 0 0 0 0 0 5.6833 -0.7332 -0.3131 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3020 0.2901 -1.1333 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0170 0.7821 -1.1319 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0433 0.2685 -0.3010 C 0 0 0 0 0 0 0 0 0 0 0 0 3.4205 -0.7729 0.5387 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7047 -1.2767 0.5477 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1062 -2.2987 1.3594 O 0 0 0 0 0 0 0 0 0 0 0 0 2.3753 -1.2905 1.4077 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5916 -2.2194 2.2059 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0007 -0.7457 1.3935 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6964 0.2257 0.5697 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6787 0.8116 -0.3289 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4051 1.7589 -1.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.7300 0.6330 0.4305 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.8489 1.9266 -0.0581 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.3856 -0.2809 -0.5897 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6964 -1.1445 -1.1508 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8000 -0.0939 -0.8576 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6363 -0.1009 0.4401 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.6793 -1.5325 0.8904 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8110 0.4557 0.0995 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7851 0.6247 1.0146 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4850 1.9465 0.9840 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9067 1.8743 0.5543 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1748 1.0118 -0.6299 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.4930 0.5675 -0.6203 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2174 0.9881 -1.7042 C 0 0 1 0 0 0 0 0 0 0 0 0 -10.8602 -0.0818 -2.5200 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1417 -0.5949 -1.9245 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.1856 -0.1795 -0.4729 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.4592 -0.5098 0.0119 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.0268 1.3078 -0.3030 C 0 0 2 0 0 0 0 0 0 0 0 0 -13.3508 2.0306 -0.3611 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1875 1.8728 -1.2440 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2140 -0.1302 -0.6365 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.7796 -1.3895 -1.2508 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7773 -0.3320 0.6616 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9745 0.7013 1.5013 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5016 0.4937 1.6818 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1127 1.6628 2.4593 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1370 -0.6182 2.5532 C 0 0 0 0 0 0 0 0 0 0 0 0 0.0393 -1.1983 2.4265 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9535 -0.4813 -1.1927 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3700 -1.0069 -1.1585 C 0 0 1 0 0 0 0 0 0 0 0 0 10.2502 -0.1218 -1.7831 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5390 -0.5662 -1.5965 C 0 0 1 0 0 0 0 0 0 0 0 0 12.5454 0.4224 -2.1745 C 0 0 0 0 0 0 0 0 0 0 0 0 13.0578 1.2389 -1.0418 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2126 1.5864 -1.0586 O 0 0 0 0 0 0 0 0 0 0 0 0 12.2082 2.4809 2.0253 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4550 3.0808 0.8546 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6664 1.4403 1.6119 H 0 0 0 0 0 0 0 0 0 0 0 0 11.4355 2.3896 -0.2695 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9384 -0.8857 0.0220 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7041 -0.2480 0.7960 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5417 -2.9963 0.1599 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4709 -2.3417 3.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0185 -3.8285 2.2004 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2103 -2.4698 2.5029 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0647 -2.3346 -0.7463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0629 0.7108 -1.7987 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7402 1.5977 -1.7956 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5891 -2.7903 2.0042 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9242 1.8824 -1.0367 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1601 -0.9956 -1.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0037 0.7837 -1.4695 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8890 -1.5705 2.0003 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4312 -2.1484 0.4096 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 -2.0368 0.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5154 0.2838 2.0579 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9416 2.5968 0.2546 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4688 2.4642 1.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2408 2.9340 0.3494 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5599 1.5571 1.4197 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9652 1.6371 -1.5393 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5764 1.6085 -2.3977 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1731 -0.9076 -2.8015 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1301 0.3893 -3.5117 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.0282 -0.2332 -2.4838 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.1047 -1.7008 -1.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4442 -0.7231 0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1047 -0.7061 -0.7069 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5719 1.4732 0.6948 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.4956 2.4102 -1.3739 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1783 1.3365 -0.0539 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3995 2.8829 0.3464 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3296 0.1429 -1.2337 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2585 -2.2934 -0.9410 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8439 -1.4722 -0.8827 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8273 -1.2395 -2.3413 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4624 0.5214 2.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1382 1.7783 1.2616 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1284 2.4013 1.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8329 -0.9617 3.2991 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3296 -2.0065 3.0617 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9810 0.5919 -0.9163 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5670 -0.5864 -2.2348 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4221 -1.9637 -1.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6819 -1.5809 -2.0529 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9982 1.0613 -2.8941 H 0 0 0 0 0 0 0 0 0 0 0 0 13.3730 -0.1542 -2.6476 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 1 0 4 5 1 0 5 6 1 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 12 13 1 0 13 14 2 0 14 15 1 0 15 16 2 0 16 17 1 0 15 18 1 0 18 19 2 0 18 20 1 0 20 21 2 0 21 22 1 0 22 23 2 0 21 24 1 0 24 25 1 6 24 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 29 30 1 0 29 31 1 6 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 42 43 1 0 42 44 1 0 35 45 1 0 45 46 1 0 45 47 1 0 29 48 1 0 48 49 1 0 49 50 1 1 49 51 1 0 51 52 2 0 10 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 2 0 58 2 1 0 56 4 1 0 54 6 1 0 16 11 1 0 52 20 1 0 22 14 1 0 49 24 1 0 47 32 1 0 44 37 1 0 1 60 1 0 1 61 1 0 1 62 1 0 2 63 1 6 4 64 1 6 6 65 1 1 7 66 1 6 8 67 1 0 8 68 1 0 8 69 1 0 10 70 1 6 12 71 1 0 13 72 1 0 17 73 1 0 25 74 1 0 28 75 1 0 28 76 1 0 30 77 1 0 30 78 1 0 30 79 1 0 32 80 1 1 33 81 1 0 33 82 1 0 34 83 1 0 34 84 1 0 35 85 1 6 37 86 1 6 38 87 1 0 38 88 1 0 39 89 1 0 39 90 1 0 40 91 1 1 41 92 1 0 42 93 1 1 43 94 1 0 43 95 1 0 43 96 1 0 45 97 1 6 46 98 1 0 46 99 1 0 46100 1 0 48101 1 0 48102 1 0 50103 1 0 51104 1 0 52105 1 0 53106 1 0 53107 1 0 54108 1 6 56109 1 6 57110 1 0 57111 1 0 M END