RDKit 3D 173181 0 0 0 0 0 0 0 0999 V2000 -11.8468 6.8389 -0.8198 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.9211 5.7982 -0.5233 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.7173 4.8010 -1.4629 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3735 4.8646 -2.5549 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.8111 3.7419 -1.2232 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.5876 2.6761 -2.2088 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.1716 2.7785 -2.6617 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.2876 3.5220 -1.6489 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5904 1.6217 -3.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.7215 0.5214 -2.3059 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.1078 0.7303 -1.1080 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.0356 -0.1796 -0.8450 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7468 0.6818 -0.7054 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7104 0.3113 -1.6254 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5585 -0.3033 -1.4134 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9447 -0.9145 -2.6761 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8697 -0.3891 -0.1819 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4048 -0.3545 -0.6598 C 0 0 0 0 0 0 0 0 0 0 0 0 0.4873 -0.0521 0.2427 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1214 0.1993 1.5751 C 0 0 2 0 0 0 0 0 0 0 0 0 1.0142 0.5225 2.4606 C 0 0 1 0 0 0 0 0 0 0 0 0 1.7518 1.6254 2.1255 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1023 1.3370 2.2230 C 0 0 1 0 0 0 0 0 0 0 0 0 3.9383 1.5859 1.0109 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1837 0.7269 1.1290 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3015 1.2332 0.5239 O 0 0 0 0 0 0 0 0 0 0 0 0 6.9327 0.2453 -0.2440 C 0 0 1 0 0 0 0 0 0 0 0 0 7.1434 0.5799 -1.6640 C 0 0 0 0 0 0 0 0 0 0 0 0 8.5233 1.0548 -2.0442 C 0 0 1 0 0 0 0 0 0 0 0 0 8.5815 2.4523 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6057 0.4951 -1.1631 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7937 1.1065 -1.4147 O 0 0 0 0 0 0 0 0 0 0 0 0 11.8348 0.2272 -1.7113 C 0 0 2 0 0 0 0 0 0 0 0 0 12.8939 0.1973 -0.6722 C 0 0 0 0 0 0 0 0 0 0 0 0 14.2292 -0.0891 -1.3123 C 0 0 1 0 0 0 0 0 0 0 0 0 14.3656 -1.3934 -1.7255 O 0 0 0 0 0 0 0 0 0 0 0 0 14.5009 0.9340 -2.3953 C 0 0 1 0 0 0 0 0 0 0 0 0 15.5500 0.4824 -3.1680 O 0 0 0 0 0 0 0 0 0 0 0 0 16.6901 1.2626 -3.1082 C 0 0 0 0 0 0 0 0 0 0 0 0 13.2503 1.2477 -3.1831 C 0 0 2 0 0 0 0 0 0 0 0 0 12.7110 2.5865 -2.7859 C 0 0 0 0 0 0 0 0 0 0 0 0 12.3202 0.2689 -2.9675 O 0 0 0 0 0 0 0 0 0 0 0 0 9.1063 0.7578 0.2743 C 0 0 2 0 0 0 0 0 0 0 0 0 10.1571 0.5248 1.3019 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0864 -0.1947 0.4391 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4635 0.6036 2.6461 C 0 0 1 0 0 0 0 0 0 0 0 0 6.8627 0.4789 2.7520 O 0 0 0 0 0 0 0 0 0 0 0 0 5.0387 1.8538 3.3513 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4729 1.7561 4.7964 C 0 0 0 0 0 0 0 0 0 0 0 0 3.6523 2.0045 3.3519 O 0 0 0 0 0 0 0 0 0 0 0 0 0.4783 0.6678 3.9100 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6124 1.6602 4.0232 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1162 -0.7543 4.1915 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1324 -1.1825 3.3618 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.3095 -2.5385 3.9804 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7912 -1.0879 1.9446 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9617 -1.2950 0.9295 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.0728 -0.7470 1.8770 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0007 -2.7457 0.8841 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8992 -3.6060 1.1563 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1304 -3.4457 0.5740 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7682 -4.5376 1.3924 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3149 -5.0081 2.4724 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9114 -4.8993 0.7226 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.1840 -4.0264 -0.2625 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.3447 -4.9565 -1.4958 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6984 -4.8790 -2.1134 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.8604 -6.1629 -2.9381 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7293 -4.9492 -1.0432 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8455 -5.9074 -1.0095 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5578 -4.0290 -0.0682 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.3532 -3.1260 -0.2786 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.4902 -2.0743 0.6911 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4586 -0.7902 0.4091 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9055 0.1533 1.5052 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8855 -3.1916 -0.5615 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1801 -2.7103 -1.6908 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.1910 0.2003 -2.1925 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.9866 1.3563 -1.6376 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.9114 1.3218 -0.1233 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.3742 1.1024 -1.9780 N 0 0 0 0 0 4 0 0 0 0 0 0 -12.0925 1.8657 -2.6416 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.9709 -0.0773 -1.5436 O 0 0 0 0 0 1 0 0 0 0 0 0 -12.3697 6.6257 -1.7857 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.3887 7.8259 -0.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.6441 6.8283 -0.0283 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2954 3.7415 -0.3106 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2556 2.9100 -3.0757 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1577 3.4834 -3.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2853 3.6658 -2.1162 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6949 4.5408 -1.5011 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2357 3.0307 -0.6805 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2720 -0.3386 -2.8845 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0311 -0.7870 -1.7341 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0917 1.7282 -1.0915 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5842 0.9040 0.3209 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9249 0.5915 -2.7011 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4200 -1.8431 -2.4685 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3801 -0.1040 -3.1474 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7634 -1.1603 -3.4158 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9466 0.6660 0.2696 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1300 -0.5729 -1.6952 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5211 -0.0159 -0.0195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7721 1.0945 1.5790 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6950 -0.3404 2.5577 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2326 0.2556 2.5096 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2756 2.6530 0.9420 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4455 1.2650 0.0749 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0058 -0.3294 0.8220 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2623 -0.6697 -0.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9058 -0.3136 -2.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4251 1.3693 -1.9802 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7412 0.7071 -3.0782 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1519 2.7804 -2.8898 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6216 -0.6070 -1.2825 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3199 -0.8020 -1.6264 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7491 -0.6345 0.0737 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0233 1.1739 -0.1150 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0105 0.0884 -0.5137 H 0 0 0 0 0 0 0 0 0 0 0 0 15.0937 -1.4835 -2.3967 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8275 1.8644 -1.8944 H 0 0 0 0 0 0 0 0 0 0 0 0 16.5608 2.2935 -3.4347 H 0 0 0 0 0 0 0 0 0 0 0 0 17.1853 1.2082 -2.1017 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4276 0.7825 -3.8069 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4852 1.2288 -4.2868 H 0 0 0 0 0 0 0 0 0 0 0 0 13.1304 3.3708 -3.4933 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8840 2.8791 -1.7478 H 0 0 0 0 0 0 0 0 0 0 0 0 11.5960 2.6321 -2.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 8.7421 1.7833 0.2999 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9625 1.2892 1.2002 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6889 0.7401 2.2956 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5508 -0.5012 1.3179 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0447 -0.3233 3.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3052 1.3380 2.9011 H 0 0 0 0 0 0 0 0 0 0 0 0 5.4643 2.7512 2.8648 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6798 2.1224 5.4984 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5861 0.6782 5.0436 H 0 0 0 0 0 0 0 0 0 0 0 0 6.4456 2.2554 4.9974 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3463 0.9560 4.5013 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2183 2.6892 3.7865 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4939 1.5270 3.4068 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9232 1.7422 5.0949 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1529 -0.8648 5.2797 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9596 -1.4006 3.9279 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8499 -0.4067 3.7616 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1844 -3.1049 3.8097 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3395 -3.0995 3.8471 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3188 -2.3415 5.1051 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0145 -1.8872 1.7442 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9803 -1.0949 1.3486 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1518 -1.3188 2.8078 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9654 0.3190 1.9407 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1146 -3.5368 0.5083 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6341 -4.5643 -2.2498 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0585 -5.9847 -1.3097 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8525 -4.0629 -2.8385 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9512 -6.2619 -3.5930 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9629 -7.0507 -2.2889 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7458 -6.0762 -3.5816 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5688 -6.9333 -0.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6652 -5.4882 -0.3963 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.2658 -5.9469 -2.0574 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2196 -3.9673 0.7558 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4813 -2.7846 -1.3389 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6323 -2.3763 1.7467 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9810 0.0166 1.6965 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3263 -0.1765 2.4116 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6201 1.1867 1.3115 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4121 -0.6901 -1.5752 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5596 0.0047 -3.2111 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8976 0.2249 0.1476 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0049 1.7569 0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8491 1.7089 0.3475 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 3 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 13 14 1 0 14 15 2 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 2 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 0 26 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 29 31 1 0 31 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 37 40 1 0 40 41 1 0 40 42 1 0 31 43 1 0 43 44 1 0 43 45 1 0 25 46 1 0 46 47 1 0 46 48 1 0 48 49 1 0 48 50 1 0 21 51 1 0 51 52 1 0 51 53 1 0 53 54 1 0 54 55 1 0 54 56 1 0 56 57 1 0 57 58 1 1 57 59 1 0 59 60 1 0 59 61 2 0 61 62 1 0 62 63 2 0 62 64 1 0 65 64 1 1 65 66 1 0 66 67 1 0 67 68 1 0 67 69 1 0 69 70 1 0 69 71 2 0 71 72 1 0 72 73 1 0 73 74 2 0 74 75 1 0 65 76 1 0 76 77 2 0 10 78 1 0 78 79 1 0 79 80 1 0 79 81 1 1 81 82 2 0 81 83 1 0 79 6 1 0 74 12 1 0 57 17 1 0 76 61 1 0 56 20 1 0 72 65 1 0 50 23 1 0 45 27 1 0 42 33 1 0 1 84 1 0 1 85 1 0 1 86 1 0 5 87 1 0 6 88 1 6 7 89 1 6 8 90 1 0 8 91 1 0 8 92 1 0 10 93 1 6 12 94 1 6 13 95 1 0 13 96 1 0 14 97 1 0 16 98 1 0 16 99 1 0 16100 1 0 17101 1 1 18102 1 0 19103 1 0 20104 1 6 21105 1 1 23106 1 1 24107 1 0 24108 1 0 25109 1 6 27110 1 6 28111 1 0 28112 1 0 29113 1 6 30114 1 0 31115 1 1 33116 1 6 34117 1 0 34118 1 0 35119 1 1 36120 1 0 37121 1 1 39122 1 0 39123 1 0 39124 1 0 40125 1 6 41126 1 0 41127 1 0 41128 1 0 43129 1 6 44130 1 0 44131 1 0 44132 1 0 46133 1 1 47134 1 0 48135 1 6 49136 1 0 49137 1 0 49138 1 0 51139 1 1 52140 1 0 52141 1 0 52142 1 0 53143 1 0 53144 1 0 54145 1 6 55146 1 0 55147 1 0 55148 1 0 56149 1 6 58150 1 0 58151 1 0 58152 1 0 60153 1 0 66154 1 0 66155 1 0 67156 1 6 68157 1 0 68158 1 0 68159 1 0 70160 1 0 70161 1 0 70162 1 0 71163 1 0 72164 1 6 73165 1 0 75166 1 0 75167 1 0 75168 1 0 78169 1 0 78170 1 0 80171 1 0 80172 1 0 80173 1 0 M CHG 2 81 1 83 -1 M END