RDKit 3D 144147 0 0 0 0 0 0 0 0999 V2000 12.1979 4.8395 0.6186 C 0 0 0 0 0 0 0 0 0 0 0 0 11.7961 3.3611 0.5456 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5201 3.2758 -0.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0443 1.8602 -0.3108 C 0 0 0 0 0 0 0 0 0 0 0 0 11.0693 0.9897 -0.9678 C 0 0 0 0 0 0 0 0 0 0 0 0 10.5828 -0.4641 -1.0819 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2968 -1.0355 0.2688 C 0 0 0 0 0 0 0 0 0 0 0 0 9.8385 -2.4703 0.2195 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5711 -2.6311 -0.6192 C 0 0 0 0 0 0 0 0 0 0 0 0 8.1502 -4.0708 -0.6124 C 0 0 0 0 0 0 0 0 0 0 0 0 6.9645 -4.3554 -1.4666 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7358 -3.5808 -1.1010 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8745 -2.2299 -1.2228 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7408 -1.4840 -0.9221 C 0 0 2 0 0 0 0 0 0 0 0 0 4.4000 -0.8451 -2.1181 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1355 -0.2730 -2.0914 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2218 -1.2436 -2.7924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7058 0.1411 -0.7229 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0686 -0.8887 -0.0870 O 0 0 0 0 0 0 0 0 0 0 0 0 0.7888 -0.6999 0.2652 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8646 -0.3873 1.6808 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.3019 0.3264 1.9470 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1385 0.9375 3.3083 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.5007 -0.5452 1.8066 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.6009 -1.4732 2.8777 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6827 -1.4986 3.7704 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7744 -2.4790 4.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5671 -0.6592 3.5892 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5799 -1.2019 0.4794 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.0427 -0.4720 -0.5874 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2267 -0.8788 -1.0932 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.0503 -1.4045 -2.4177 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1953 -2.1843 -2.5963 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.8927 -3.5608 -2.0331 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4689 -1.6146 -2.0971 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.8856 -2.3051 -0.9564 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.0266 -3.1316 -0.9762 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5098 -3.8764 0.1987 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6778 -3.2446 -2.0605 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4414 -0.0850 -1.8659 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.5341 0.4176 -1.2812 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6558 0.7914 -1.8438 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.7239 0.0932 -1.2390 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.8525 0.3576 0.0938 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.6653 0.0280 0.9636 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2033 1.8445 0.3582 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.3160 1.9430 1.1870 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.2654 2.5436 2.4521 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.4513 2.6333 3.3196 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.1493 3.0056 2.8214 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.3446 2.4714 -0.9791 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.5740 3.8357 -0.9809 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0268 2.2430 -1.7489 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.0473 3.0272 -1.1402 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5439 4.1802 -1.7279 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5108 4.9623 -1.0315 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9803 4.5282 -2.8346 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1026 0.3470 -1.3962 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.0464 1.1269 -0.2468 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.3003 2.2650 -0.2237 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2116 3.1336 0.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.6465 2.6265 -1.2396 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.2017 -1.8162 0.1423 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2486 -2.3889 -1.1118 O 0 0 0 0 0 0 0 0 0 0 0 0 3.9269 0.6548 -0.0157 C 0 0 2 0 0 0 0 0 0 0 0 0 4.3922 1.7706 -0.7037 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0040 -0.4159 0.0796 C 0 0 1 0 0 0 0 0 0 0 0 0 5.0645 -0.9520 1.3894 O 0 0 0 0 0 0 0 0 0 0 0 0 11.2666 5.3763 0.8965 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9811 4.9207 1.3897 H 0 0 0 0 0 0 0 0 0 0 0 0 12.5063 5.1210 -0.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6772 2.9693 1.5502 H 0 0 0 0 0 0 0 0 0 0 0 0 12.6107 2.8300 0.0002 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7401 3.9386 0.2250 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7395 3.6554 -1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 9.8453 1.5528 0.7519 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0513 1.7714 -0.8172 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2796 1.3967 -1.9704 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9849 0.9973 -0.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3601 -1.0596 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6500 -0.4049 -1.7111 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2584 -1.0297 0.8366 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5960 -0.4075 0.8514 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6407 -3.1516 -0.1180 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5768 -2.7787 1.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6735 -2.2791 -1.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7483 -2.0467 -0.0983 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0475 -4.6643 -0.9203 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9643 -4.3721 0.4663 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7493 -5.4659 -1.3158 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2527 -4.2043 -2.5384 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9366 -3.9412 -1.8261 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4543 -3.9279 -0.0633 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9628 -2.2014 -0.6044 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2063 0.6177 -2.7898 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6524 -1.4032 -3.8128 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -2.2420 -2.3168 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1748 -0.8722 -2.8539 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0066 0.9973 -0.8413 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3161 0.2340 -0.1105 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3033 1.1912 1.2281 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8988 1.3853 3.3143 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8200 1.7724 3.5136 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1094 0.1794 4.1163 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4118 0.0965 1.8943 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5993 -3.2037 4.7762 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8252 -3.0982 4.8131 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7290 -1.9550 5.8475 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2686 -2.0646 0.5969 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7760 -1.6130 -0.5079 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2242 -2.3353 -3.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8671 -3.5954 -1.5948 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6024 -3.8325 -1.1976 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9398 -4.3503 -2.8139 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2389 -1.8584 -2.8980 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2591 -3.3851 1.1686 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6177 -4.0767 0.1194 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0244 -4.8748 0.2301 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5545 0.2259 -2.9628 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7445 0.5624 -2.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7117 -0.2168 0.4912 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3491 -0.9897 0.8560 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8729 0.8085 0.9523 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0691 0.1082 2.0297 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3616 2.3265 0.9032 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0757 1.7164 3.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.0611 3.4896 3.0493 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1509 2.7288 4.3991 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1337 1.9724 -1.6067 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2256 4.1312 -1.6635 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3113 2.6748 -2.7714 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5156 4.5937 -1.4118 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4980 4.8177 0.0685 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5696 6.0514 -1.2709 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4899 0.8838 -2.1918 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2374 4.1936 0.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2420 2.9774 1.5144 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9982 2.9736 1.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0368 -2.6550 0.8623 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4554 -3.3390 -1.1468 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7346 0.9958 1.0206 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2358 2.6251 -0.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9730 0.1055 -0.0715 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5574 -1.7842 1.4455 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 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 1 0 24 25 1 0 25 26 1 0 26 27 1 0 26 28 2 0 24 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 37 39 2 0 35 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 44 45 1 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 48 50 2 0 46 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 55 56 1 0 55 57 2 0 40 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 60 62 2 0 29 63 1 0 63 64 1 0 18 65 1 0 65 66 1 0 65 67 1 0 67 68 1 0 67 14 1 0 63 20 1 0 58 31 1 0 53 42 1 0 1 69 1 0 1 70 1 0 1 71 1 0 2 72 1 0 2 73 1 0 3 74 1 0 3 75 1 0 4 76 1 0 4 77 1 0 5 78 1 0 5 79 1 0 6 80 1 0 6 81 1 0 7 82 1 0 7 83 1 0 8 84 1 0 8 85 1 0 9 86 1 0 9 87 1 0 10 88 1 0 10 89 1 0 11 90 1 0 11 91 1 0 12 92 1 0 12 93 1 0 14 94 1 1 16 95 1 6 17 96 1 0 17 97 1 0 17 98 1 0 18 99 1 6 20100 1 6 22101 1 6 23102 1 0 23103 1 0 23104 1 0 24105 1 1 27106 1 0 27107 1 0 27108 1 0 29109 1 1 31110 1 1 33111 1 6 34112 1 0 34113 1 0 34114 1 0 35115 1 6 38116 1 0 38117 1 0 38118 1 0 40119 1 6 42120 1 6 44121 1 1 45122 1 0 45123 1 0 45124 1 0 46125 1 1 49126 1 0 49127 1 0 49128 1 0 51129 1 6 52130 1 0 53131 1 6 56132 1 0 56133 1 0 56134 1 0 58135 1 6 61136 1 0 61137 1 0 61138 1 0 63139 1 1 64140 1 0 65141 1 1 66142 1 0 67143 1 6 68144 1 0 M END