RDKit 3D 121128 0 0 0 0 0 0 0 0999 V2000 9.6130 1.2054 1.9110 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4497 2.6801 1.6097 C 0 0 2 0 0 0 0 0 0 0 0 0 8.1885 3.0148 1.1952 O 0 0 0 0 0 0 0 0 0 0 0 0 7.8473 2.6332 -0.0779 C 0 0 2 0 0 0 0 0 0 0 0 0 7.3685 1.3063 -0.1228 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0306 1.2489 -0.4995 C 0 0 2 0 0 0 0 0 0 0 0 0 5.1786 0.6841 0.6293 C 0 0 2 0 0 0 0 0 0 0 0 0 6.0272 -0.1058 1.4298 O 0 0 0 0 0 0 0 0 0 0 0 0 4.1101 -0.1970 0.0794 C 0 0 1 0 0 0 0 0 0 0 0 0 3.1176 -0.4770 1.0366 O 0 0 0 0 0 0 0 0 0 0 0 0 2.9681 -1.8230 1.2605 C 0 0 2 0 0 0 0 0 0 0 0 0 1.5374 -2.1993 0.9533 C 0 0 1 0 0 0 0 0 0 0 0 0 1.0549 -1.5852 -0.1922 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0084 -0.7695 0.1393 C 0 0 1 0 0 0 0 0 0 0 0 0 0.2680 0.6905 -0.2357 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3988 1.3955 0.1091 S 0 0 0 0 0 4 0 0 0 0 0 0 -1.2817 1.8784 1.5693 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.2643 -0.1992 0.2230 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.2613 -1.0532 -0.5769 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7104 -2.4666 -0.6040 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0859 -2.5043 -1.2882 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.5064 -3.7984 -1.5170 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0088 -1.6967 -0.4529 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0581 -2.1123 0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.3746 -1.5376 -0.9488 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1156 -2.3348 -1.4551 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.7231 -0.1102 -0.7030 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9592 -0.0393 0.1404 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9733 0.7759 -0.6364 C 0 0 1 0 0 0 0 0 0 0 0 0 -9.1756 0.9878 0.0358 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.4163 0.6134 -0.4344 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.4498 0.0348 -1.5589 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6655 0.8447 0.2801 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.6895 1.4700 1.5047 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9136 1.6723 2.1501 C 0 0 0 0 0 0 0 0 0 0 0 0 -14.1087 1.2661 1.6033 C 0 0 0 0 0 0 0 0 0 0 0 0 -15.3304 1.4719 2.2551 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.0847 0.6401 0.3777 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.8628 0.4372 -0.2686 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3250 2.1215 -0.9005 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.3364 3.0527 -1.4854 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1382 1.8723 -1.8066 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8782 0.5106 -1.9374 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6072 0.4241 -0.0133 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5156 -0.2419 -0.5474 C 0 0 1 0 0 0 0 0 0 0 0 0 1.3535 -3.5644 0.8575 O 0 0 0 0 0 0 0 0 0 0 0 0 1.9792 -4.2910 1.8472 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0412 -5.2454 1.3183 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 -5.8983 2.4287 O 0 0 0 0 0 0 0 0 0 0 0 0 2.4614 -3.4766 2.9980 C 0 0 2 0 0 0 0 0 0 0 0 0 1.3863 -3.1444 3.8473 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2213 -2.2469 2.6875 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5856 -2.3552 2.9647 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5456 0.4080 -1.0334 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3881 0.4067 -2.1232 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0422 -0.7278 -3.0631 C 0 0 0 0 0 0 0 0 0 0 0 0 4.1672 -1.9262 -2.4062 O 0 0 0 0 0 0 0 0 0 0 0 0 5.8575 0.4320 -1.7622 C 0 0 1 0 0 0 0 0 0 0 0 0 6.5439 1.0278 -2.7966 O 0 0 0 0 0 0 0 0 0 0 0 0 8.9120 2.8068 -1.1000 C 0 0 1 0 0 0 0 0 0 0 0 0 8.4306 3.4171 -2.2745 O 0 0 0 0 0 0 0 0 0 0 0 0 9.9313 3.8077 -0.5359 C 0 0 2 0 0 0 0 0 0 0 0 0 10.9344 4.0743 -1.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 10.5424 3.0955 0.6570 C 0 0 1 0 0 0 0 0 0 0 0 0 11.5120 3.8967 1.2771 O 0 0 0 0 0 0 0 0 0 0 0 0 10.3777 1.0522 2.7030 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6782 0.7436 2.2864 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0060 0.6558 1.0096 H 0 0 0 0 0 0 0 0 0 0 0 0 9.6423 3.2181 2.5637 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9819 3.2678 -0.3744 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6107 2.2560 -0.6990 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7201 1.4876 1.2259 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2639 -0.9287 0.9022 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5554 -1.1446 -0.2595 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6927 -2.3552 0.6158 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9285 -1.8470 1.8059 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2326 -0.7617 1.2361 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4794 0.8060 -1.3002 H 0 0 0 0 0 0 0 0 0 0 0 0 1.0298 1.1712 0.3646 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2983 -0.5962 1.2333 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2286 -0.6214 -1.6189 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9910 -3.0607 -1.1856 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7875 -2.8275 0.4491 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9421 -1.9660 -2.2586 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1820 -4.1154 -2.3983 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1503 -3.1039 0.8456 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3578 -1.0463 0.3893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7293 0.4873 1.0929 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0948 0.2656 -1.6140 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.7722 1.7877 1.9357 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.9435 2.1615 3.1098 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.8779 2.3193 2.1090 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.0143 0.3107 -0.0729 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.8377 -0.0564 -1.2368 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9424 2.4767 0.0830 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3129 2.8892 -0.9845 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0875 4.1148 -1.3466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4633 2.7776 -2.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2326 2.4425 -1.4697 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3939 2.2617 -2.8127 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3180 -0.0194 -1.6020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1754 -4.9691 2.2697 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7947 -4.7522 0.7037 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5857 -6.0447 0.6881 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7109 -6.8581 2.2873 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1212 -4.1287 3.6473 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1532 -3.9700 4.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8393 -1.3932 3.3174 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6807 -2.4150 3.9583 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1149 1.3429 -2.7038 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0133 -0.6270 -3.4650 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7627 -0.7557 -3.9323 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8252 -2.5325 -2.7900 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2206 -0.5836 -1.5776 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0485 1.0974 -3.6306 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4427 1.8902 -1.3605 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4554 3.5703 -2.2174 H 0 0 0 0 0 0 0 0 0 0 0 0 9.4165 4.7259 -0.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5478 4.6653 -2.1527 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0784 2.2094 0.2580 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2783 4.8484 1.1401 H 0 0 0 0 0 0 0 0 0 0 0 0 41 40 1 0 40 42 1 0 42 43 1 0 27 43 1 6 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 0 34 35 1 0 35 36 2 0 36 37 1 0 36 38 1 0 38 39 2 0 27 44 1 0 44 45 1 0 45 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 21 22 1 0 21 23 1 0 23 24 1 1 23 25 1 0 25 26 2 0 19 14 1 0 14 15 1 0 16 15 1 1 16 17 2 0 14 13 1 0 13 12 1 0 12 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 50 51 1 0 50 52 1 0 52 53 1 0 52 11 1 0 11 10 1 0 10 9 1 0 9 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 55 58 1 0 58 59 1 0 58 6 1 0 6 5 1 0 5 4 1 0 4 3 1 0 3 2 1 0 2 1 1 0 2 64 1 0 64 65 1 0 64 62 1 0 62 63 1 0 62 60 1 0 60 61 1 0 6 7 1 0 7 8 1 0 29 40 1 0 39 33 1 0 23 45 1 0 11 12 1 0 7 9 1 0 25 27 1 0 60 4 1 0 16 18 1 0 41 96 1 0 41 97 1 0 41 98 1 0 40 95 1 1 42 99 1 0 42100 1 0 28 87 1 0 28 88 1 0 29 89 1 6 34 90 1 0 35 91 1 0 37 92 1 0 38 93 1 0 39 94 1 0 45101 1 6 18 80 1 1 19 81 1 6 20 82 1 0 20 83 1 0 21 84 1 6 22 85 1 0 24 86 1 0 14 77 1 1 15 78 1 0 15 79 1 0 12 76 1 1 47102 1 1 48103 1 0 48104 1 0 49105 1 0 50106 1 1 51107 1 0 52108 1 1 53109 1 0 11 75 1 6 9 74 1 6 55110 1 6 56111 1 0 56112 1 0 57113 1 0 58114 1 1 59115 1 0 6 71 1 6 4 70 1 6 2 69 1 1 1 66 1 0 1 67 1 0 1 68 1 0 64120 1 6 65121 1 0 62118 1 1 63119 1 0 60116 1 6 61117 1 0 7 72 1 1 8 73 1 0 M END