RDKit 3D 143149 0 0 0 0 0 0 0 0999 V2000 13.8118 -0.3256 -3.7648 C 0 0 0 0 0 0 0 0 0 0 0 0 12.7062 -0.6027 -3.0338 C 0 0 0 0 0 0 0 0 0 0 0 0 12.4438 0.1258 -1.8956 N 0 0 0 0 0 0 0 0 0 0 0 0 11.4472 0.1235 -0.9263 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4534 -0.6400 -0.9007 O 0 0 0 0 0 0 0 0 0 0 0 0 11.5550 1.1235 0.2296 C 0 0 0 0 0 0 0 0 0 0 0 0 12.5228 1.8464 0.2010 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4839 1.0252 1.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4456 1.7822 2.3760 C 0 0 0 0 0 0 0 0 0 0 0 0 11.4416 2.5563 2.7190 O 0 0 0 0 0 0 0 0 0 0 0 0 9.3196 1.8695 3.3323 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6120 2.6405 4.3960 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0063 1.4517 2.9925 N 0 0 0 0 0 0 0 0 0 0 0 0 6.8817 1.8042 3.7170 C 0 0 0 0 0 0 0 0 0 0 0 0 7.1235 2.4987 4.7922 O 0 0 0 0 0 0 0 0 0 0 0 0 5.4931 1.5460 3.4575 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5937 2.4873 4.0363 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2719 2.3894 3.8218 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7333 1.3464 3.0168 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5738 0.4408 2.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9153 0.6067 2.7315 N 0 0 0 0 0 0 0 0 0 0 0 0 3.2478 -0.7965 1.7514 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3153 -0.9791 0.8347 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2944 -2.2418 0.4368 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2507 -2.8556 1.1378 O 0 0 0 0 0 0 0 0 0 0 0 0 3.8453 -2.0647 1.9200 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9940 -2.3952 2.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3938 -2.8589 -0.5829 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9008 -4.0470 -0.1888 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0784 -2.4113 -1.8689 N 0 0 0 0 0 0 0 0 0 0 0 0 0.2968 -1.4034 -2.4787 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8303 -0.2058 -2.4810 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0263 -1.4920 -3.1255 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1633 -0.6579 -4.2076 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1644 -2.2687 -2.8613 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4645 -3.4412 -2.1677 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 -4.5354 -2.9219 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6881 -3.7302 -0.7412 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2080 -2.9041 0.1552 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.3282 -3.5012 1.3382 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8609 -4.7375 1.1698 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4647 -4.9367 -0.0581 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8931 -6.2168 -0.6101 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8746 -2.9055 2.5726 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0326 -2.8205 3.6084 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5670 -2.2248 4.8556 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2536 -2.4880 2.6919 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.3668 -3.1722 2.0949 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3275 -3.6265 2.8385 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.5152 -3.4110 0.6386 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.6097 -4.6839 0.0622 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.7664 -4.2484 -1.6280 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.7000 -2.6141 -1.4464 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5736 -2.3919 -0.2270 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.7897 -1.3027 -2.4716 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.3064 -1.9746 -3.4195 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4169 -1.6304 -4.1155 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.3484 -0.8362 -1.9422 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.6544 0.4542 -2.1286 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.8202 0.7404 -2.6535 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9099 1.6950 -1.8397 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9889 1.6925 -0.8880 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.4948 2.9375 -0.7899 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0855 3.6705 -1.6563 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.9747 2.9737 -2.3426 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8645 3.4661 -3.4268 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.4462 3.1458 0.2511 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.3691 4.3620 0.7936 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4065 4.7637 1.8346 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7092 6.0303 1.4156 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1846 4.9840 2.9995 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5531 2.1589 0.6963 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.8630 1.1515 0.0129 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1822 -0.0598 0.4035 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.8719 1.2011 -1.0271 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.3818 1.6897 -2.3807 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4069 3.1732 -2.5340 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5769 1.1082 -2.7105 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6380 1.9359 -0.7590 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2584 2.5673 0.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4786 3.8837 0.4585 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.6455 2.0706 1.6818 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.2867 1.9617 2.9170 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0149 1.5361 3.9528 S 0 0 0 0 0 0 0 0 0 0 0 0 1.2723 1.5133 2.8123 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6497 1.8264 1.7006 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9126 -1.7250 -3.5003 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2725 -2.5511 -4.5875 N 0 0 0 0 0 0 0 0 0 0 0 0 10.8271 -1.9749 -2.8825 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4421 0.5370 -3.3376 H 0 0 0 0 0 0 0 0 0 0 0 0 14.1094 -0.7932 -4.6068 H 0 0 0 0 0 0 0 0 0 0 0 0 13.2007 0.9283 -1.6984 H 0 0 0 0 0 0 0 0 0 0 0 0 13.4137 2.4135 0.0491 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3163 2.6643 1.2232 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7423 0.3157 0.9862 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6261 3.1233 4.4578 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0117 2.8702 5.2340 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9212 0.8249 2.1327 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9740 3.2895 4.6502 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 3.1268 4.3085 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9141 -2.4507 2.2446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7521 -3.3594 3.3483 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1162 -1.5838 3.6043 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1326 -4.4907 0.7548 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2748 -4.5920 -0.8436 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6039 -3.0196 -2.6903 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3336 -0.0351 -4.4871 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0727 -0.5958 -4.7814 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1196 -1.8849 -3.3609 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7582 -6.9128 -0.8270 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4465 -6.0125 -1.5895 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2647 -6.6980 0.1301 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0169 -3.1674 3.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7726 -1.1415 4.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8953 -2.3451 5.7251 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4999 -2.7999 5.1517 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4521 -1.6521 3.2748 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6103 -5.6731 0.5279 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4404 -0.6441 -1.7158 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3337 -1.6112 -3.4394 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3276 -0.6022 -4.5575 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7141 -2.2763 -4.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7729 -1.6241 -1.5562 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6820 4.5509 -3.5300 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6841 2.9838 -4.3942 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9408 3.3921 -3.1167 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0900 5.1176 0.4314 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6686 3.9930 2.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3500 5.9060 0.3479 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7705 6.1839 2.0041 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3720 6.9031 1.4475 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1650 4.8804 2.7816 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3913 2.2035 1.7771 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4810 0.1456 -1.2404 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6446 1.3388 -3.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3561 3.7239 -1.5909 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3680 3.4602 -3.0401 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6114 3.5471 -3.2659 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1321 1.6498 -3.3333 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9803 2.0075 -1.5997 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3451 2.1493 3.1241 H 0 0 0 0 0 0 0 0 0 0 0 0 11.8266 -3.4752 -4.8028 H 0 0 0 0 0 0 0 0 0 0 0 0 13.0422 -2.2560 -5.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 2 3 2 3 1 0 3 4 1 0 4 5 2 0 4 6 1 0 6 7 2 3 6 8 1 0 8 9 1 0 9 10 2 0 9 11 1 0 11 12 2 3 11 13 1 0 13 14 1 0 14 15 2 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 2 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 2 0 24 25 1 0 25 26 1 0 26 27 1 0 24 28 1 0 28 29 2 3 28 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 2 3 33 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 38 39 1 0 39 40 2 0 40 41 1 0 41 42 1 0 42 43 1 0 40 44 1 0 44 45 2 0 45 46 1 0 44 47 1 0 47 48 1 0 48 49 2 0 48 50 1 0 50 51 2 0 51 52 1 0 52 53 1 0 53 54 2 0 53 55 1 0 55 56 1 0 56 57 1 0 55 58 1 0 58 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 62 63 2 0 63 64 1 0 64 65 1 0 65 66 1 0 63 67 1 0 67 68 2 0 68 69 1 0 69 70 1 0 69 71 1 0 67 72 1 0 72 73 1 0 73 74 2 0 73 75 1 0 75 76 1 0 76 77 1 0 76 78 1 0 75 79 1 0 79 80 1 0 80 81 2 0 80 82 1 0 82 83 2 0 83 84 1 0 84 85 1 0 85 86 2 0 2 87 1 0 87 88 1 0 87 89 2 0 21 16 1 0 26 22 2 0 42 38 2 0 54 50 1 0 65 61 2 0 86 82 1 0 85 19 1 0 1 90 1 0 1 91 1 0 3 92 1 0 7 93 1 0 7 94 1 0 8 95 1 0 12 96 1 0 12 97 1 0 13 98 1 0 17 99 1 0 18100 1 0 27101 1 0 27102 1 0 27103 1 0 29104 1 0 29105 1 0 30106 1 0 34107 1 0 34108 1 0 35109 1 0 43110 1 0 43111 1 0 43112 1 0 45113 1 0 46114 1 0 46115 1 0 46116 1 0 47117 1 0 51118 1 0 55119 1 6 57120 1 0 57121 1 0 57122 1 0 58123 1 0 66124 1 0 66125 1 0 66126 1 0 68127 1 0 69128 1 1 70129 1 0 70130 1 0 70131 1 0 71132 1 0 72133 1 0 75134 1 6 76135 1 6 77136 1 0 77137 1 0 77138 1 0 78139 1 0 79140 1 0 83141 1 0 88142 1 0 88143 1 0 M END