RDKit 3D 111112 0 0 0 0 0 0 0 0999 V2000 14.3101 0.2795 -0.3013 C 0 0 0 0 0 0 0 0 0 0 0 0 13.4378 0.7842 0.8101 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2994 1.5701 0.2203 C 0 0 0 0 0 0 0 0 0 0 0 0 11.5091 0.6680 -0.6893 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9089 -0.5183 -0.0776 C 0 0 0 0 0 0 0 0 0 0 0 0 9.9630 -0.4942 1.0236 C 0 0 0 0 0 0 0 0 0 0 0 0 8.6581 0.1955 0.8257 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7790 1.6683 0.6829 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5215 2.4474 0.5019 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6869 2.2962 -0.6855 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0813 1.0137 -1.0656 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1807 0.3570 -0.0771 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9287 1.1290 0.2553 C 0 0 1 0 0 0 0 0 0 0 0 0 4.1838 2.3672 0.7879 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9833 1.2329 -0.9031 C 0 0 1 0 0 0 0 0 0 0 0 0 2.5695 -0.1042 -1.4490 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4527 -0.4643 -0.4581 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0854 0.7964 0.2063 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3650 1.2152 0.1176 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4440 2.5906 0.5497 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.1919 0.4667 1.1185 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2621 -0.9792 0.9461 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9474 -1.5199 -0.2624 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4325 -1.1474 -0.3051 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9749 -1.7764 -1.5511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4652 -1.5178 -1.7645 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2852 -2.0288 -0.6521 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1772 -3.4057 -0.4547 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7773 -1.7454 -0.8845 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2124 -2.4391 -2.1157 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5536 -2.2961 -2.6693 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7280 -2.6324 -1.8882 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0271 -1.7564 -0.7102 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.2047 -0.3575 -1.2101 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6272 0.6048 -0.1729 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.7590 0.7376 0.9973 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.0772 1.8692 1.2497 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.3048 1.6777 2.4848 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.8403 1.6018 2.0843 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.7208 0.4619 3.0188 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.5507 -0.1648 2.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.0261 -1.3398 2.2649 O 0 0 0 0 0 0 0 0 0 0 0 0 1.7845 1.8195 -0.4839 O 0 0 0 0 0 0 0 0 0 0 0 0 15.3672 0.2773 0.0405 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9839 -0.7580 -0.5961 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2696 0.8855 -1.2241 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9841 -0.0739 1.3607 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9989 1.4033 1.5440 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7182 1.9951 1.0538 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6795 2.4300 -0.3960 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9374 1.1979 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3668 0.2193 -1.3670 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4472 -1.1077 -0.9617 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7713 -1.2298 0.1804 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6993 -1.5843 1.2850 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3928 -0.0396 1.9727 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9657 -0.0309 1.7105 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 -0.3160 -0.0549 H 0 0 0 0 0 0 0 0 0 0 0 0 9.1841 2.0175 1.7091 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5090 1.9926 -0.0875 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7732 3.5678 0.5672 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9501 2.3111 1.4731 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3280 2.6125 -1.5792 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8778 3.0881 -0.6311 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7621 0.2905 -1.5155 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4254 1.2898 -2.0011 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9289 -0.6449 -0.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7478 0.2780 0.8857 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4150 0.5178 1.0487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4095 2.3359 1.7500 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3585 1.8468 -1.7353 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0920 -0.0149 -2.4518 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3256 -0.8758 -1.4512 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7168 -1.0253 -1.0081 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9430 -1.1883 0.2665 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4406 0.7970 1.2581 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7125 1.1619 -0.9145 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1085 3.1146 -0.0898 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7175 0.6659 2.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2024 0.9583 1.2355 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2578 -1.4368 1.0628 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8896 -1.3738 1.8291 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4848 -1.1196 -1.1881 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8036 -2.6183 -0.2780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9600 -1.4675 0.5906 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4653 -0.0405 -0.3411 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7163 -2.8513 -1.6222 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4656 -1.2970 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6681 -1.9431 -2.7582 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5722 -0.4235 -1.8417 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9768 -1.5650 0.3288 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4556 -3.6550 0.1727 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0232 -0.6889 -0.8240 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2290 -2.3483 -0.0161 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5065 -2.0990 -2.9440 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9049 -3.5432 -2.0222 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6041 -1.2336 -3.1088 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5396 -2.9369 -3.6555 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6204 -2.6800 -2.5870 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6806 -3.7056 -1.4812 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.9849 -2.1589 -0.2725 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1959 -1.8581 -0.0111 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2178 -0.0602 -1.6756 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0015 -0.3216 -2.0242 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6467 0.2416 0.1933 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.7891 1.6018 -0.6864 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1037 2.7448 0.6474 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4724 2.5168 3.1936 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7149 2.1249 1.1245 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5797 0.5245 2.0177 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2643 2.1436 2.8461 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 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 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 43 1 0 18 19 1 0 19 20 1 0 19 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 36 37 2 0 37 38 1 0 38 39 1 0 38 40 1 0 40 41 1 0 41 42 2 0 43 15 1 0 41 36 1 0 1 44 1 0 1 45 1 0 1 46 1 0 2 47 1 0 2 48 1 0 3 49 1 0 3 50 1 0 4 51 1 0 4 52 1 0 5 53 1 0 5 54 1 0 6 55 1 0 6 56 1 0 7 57 1 0 7 58 1 0 8 59 1 0 8 60 1 0 9 61 1 0 9 62 1 0 10 63 1 0 10 64 1 0 11 65 1 0 11 66 1 0 12 67 1 0 12 68 1 0 13 69 1 1 14 70 1 0 15 71 1 6 16 72 1 0 16 73 1 0 17 74 1 0 17 75 1 0 18 76 1 1 19 77 1 6 20 78 1 0 21 79 1 0 21 80 1 0 22 81 1 0 22 82 1 0 23 83 1 0 23 84 1 0 24 85 1 0 24 86 1 0 25 87 1 0 25 88 1 0 26 89 1 0 26 90 1 0 27 91 1 1 28 92 1 0 29 93 1 0 29 94 1 0 30 95 1 0 30 96 1 0 31 97 1 0 31 98 1 0 32 99 1 0 32100 1 0 33101 1 0 33102 1 0 34103 1 0 34104 1 0 35105 1 0 35106 1 0 37107 1 0 38108 1 1 39109 1 0 39110 1 0 39111 1 0 M END