RDKit 3D 120121 0 0 0 0 0 0 0 0999 V2000 12.8402 2.9075 -1.9853 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6798 1.8263 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 13.6908 0.7444 -1.2689 C 0 0 0 0 0 0 0 0 0 0 0 0 11.2626 1.3439 -1.0039 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9829 0.2592 0.0207 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4967 -0.1926 -0.1268 C 0 0 0 0 0 0 0 0 0 0 0 0 9.2715 -1.2510 0.8919 C 0 0 2 0 0 0 0 0 0 0 0 0 10.3230 -2.3569 0.5392 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9455 -1.8676 0.9748 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7248 -1.1132 1.3001 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2702 -0.0225 0.3885 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9168 0.5083 0.9665 C 0 0 1 0 0 0 0 0 0 0 0 0 5.2421 1.0025 2.3385 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4965 1.6221 0.0206 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2115 2.2483 0.4044 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0274 1.3797 0.4204 C 0 0 0 0 0 0 0 0 0 0 0 0 1.5212 0.7817 -0.8436 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3821 -0.1337 -1.6512 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7232 1.5876 -1.6892 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0208 0.7008 -0.9215 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6363 -0.5266 -1.4187 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3564 -1.7787 -0.5941 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1141 -2.8991 -1.2258 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.0328 -4.1716 -0.6444 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2963 -3.5310 -0.7375 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2225 -4.1489 -1.8020 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9792 -3.3477 0.5675 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4865 -1.9798 0.8698 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4920 -1.5022 -0.1613 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9993 -0.1298 0.1335 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8810 0.8858 0.1531 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0006 0.3366 -0.8794 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2230 -0.5464 -0.9464 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9669 -0.6212 0.3386 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4990 0.7130 0.8390 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.1739 0.4425 2.1363 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2727 1.4188 -0.2038 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4786 0.7890 -0.7654 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6343 0.5398 0.1336 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.2236 1.7954 0.7223 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.6979 2.6729 -0.4249 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.4747 1.3757 1.4734 C 0 0 0 0 0 0 0 0 0 0 0 0 12.6214 2.4220 -2.9586 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8445 3.3543 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 12.0783 3.7023 -1.8383 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9417 2.2489 0.0805 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5336 0.4830 -2.3434 H 0 0 0 0 0 0 0 0 0 0 0 0 13.6078 -0.1060 -0.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 14.7072 1.2267 -1.1895 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1373 0.8671 -2.0001 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6058 2.2141 -0.8602 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6220 -0.6042 -0.2313 H 0 0 0 0 0 0 0 0 0 0 0 0 11.1263 0.6069 1.0505 H 0 0 0 0 0 0 0 0 0 0 0 0 9.3639 -0.5681 -1.1691 H 0 0 0 0 0 0 0 0 0 0 0 0 8.9576 0.7369 0.0133 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5596 -0.8099 1.8868 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9047 -3.2918 0.9429 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4485 -2.3593 -0.5463 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2245 -2.0768 1.1128 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9907 -2.7925 1.6690 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7561 -2.4166 -0.0272 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8490 -1.8380 1.4688 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8306 -0.6850 2.3641 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1494 -0.3336 -0.6513 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9101 0.8769 0.5000 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1814 -0.2863 0.9364 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1144 0.1732 3.0681 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2883 1.3869 2.3457 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6156 1.8288 2.7075 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4969 1.2162 -0.9945 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3314 2.3924 0.0201 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0803 3.1543 -0.2564 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2975 2.6962 1.4480 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1675 1.8854 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2704 0.5134 1.1153 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1046 -0.6893 -1.0763 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8981 0.4916 -2.4435 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7415 -0.8134 -2.2823 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5447 1.2018 -0.0844 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2684 -0.7173 -2.4673 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7325 -0.4024 -1.5330 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7417 -2.0106 -0.5599 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6156 -1.5485 0.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9136 -2.9686 -2.3315 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2752 -3.9349 -1.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0558 -5.2367 -1.8318 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9134 -3.7262 -2.7690 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 -4.0268 0.5954 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3638 -3.7427 1.4303 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1289 -2.1123 1.8126 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7547 -1.2406 1.1589 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9833 -1.5865 -1.1463 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3357 -2.2190 -0.1738 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4099 -0.1444 1.1673 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1300 0.7337 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4782 1.0738 -0.8682 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3854 1.8641 0.4207 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2614 1.3952 -0.7832 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5005 0.2420 -1.8841 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9658 -1.5855 -1.2388 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8808 -0.1626 -1.7393 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8737 -1.2589 0.1537 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4112 -1.1573 1.1418 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5909 1.3537 1.0515 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5766 -0.5911 2.2403 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3432 0.4471 2.9221 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8532 1.2309 2.5026 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5282 2.4865 0.1101 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5780 1.6123 -1.0762 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8564 1.4989 -1.5712 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2155 -0.1214 -1.3704 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4801 0.1005 -0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.4686 -0.2318 0.9070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5877 2.3378 1.4219 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.8302 3.1589 -0.8693 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.2698 2.0336 -1.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.3953 3.4630 -0.0775 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.1777 0.9090 2.4232 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.0476 2.2945 1.7130 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1230 0.7206 0.8571 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 2 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 1 0 12 13 1 0 12 14 1 0 14 15 1 0 15 16 1 0 17 16 1 1 17 18 1 0 17 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 6 25 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 1 0 40 42 1 0 20 17 1 0 25 23 1 0 1 43 1 0 1 44 1 0 1 45 1 0 2 46 1 0 3 47 1 0 3 48 1 0 3 49 1 0 4 50 1 0 4 51 1 0 5 52 1 0 5 53 1 0 6 54 1 0 6 55 1 0 7 56 1 1 8 57 1 0 8 58 1 0 8 59 1 0 9 60 1 0 9 61 1 0 10 62 1 0 10 63 1 0 11 64 1 0 11 65 1 0 12 66 1 1 13 67 1 0 13 68 1 0 13 69 1 0 14 70 1 0 14 71 1 0 15 72 1 0 15 73 1 0 16 74 1 0 16 75 1 0 18 76 1 0 18 77 1 0 18 78 1 0 20 79 1 1 21 80 1 0 21 81 1 0 22 82 1 0 22 83 1 0 23 84 1 6 26 85 1 0 26 86 1 0 26 87 1 0 27 88 1 0 27 89 1 0 28 90 1 0 28 91 1 0 29 92 1 0 29 93 1 0 30 94 1 1 31 95 1 0 31 96 1 0 31 97 1 0 32 98 1 0 32 99 1 0 33100 1 0 33101 1 0 34102 1 0 34103 1 0 35104 1 1 36105 1 0 36106 1 0 36107 1 0 37108 1 0 37109 1 0 38110 1 0 38111 1 0 39112 1 0 39113 1 0 40114 1 0 41115 1 0 41116 1 0 41117 1 0 42118 1 0 42119 1 0 42120 1 0 M END