RDKit 3D 142151 0 0 0 0 0 0 0 0999 V2000 17.1368 -0.2003 3.4628 C 0 0 0 0 0 0 0 0 0 0 0 0 15.8519 -0.3784 3.4679 C 0 0 0 0 0 0 0 0 0 0 0 0 14.9583 -0.0834 2.4050 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2374 0.4459 1.1554 C 0 0 0 0 0 0 0 0 0 0 0 0 16.5455 0.6776 1.0203 O 0 0 0 0 0 0 0 0 0 0 0 0 14.4866 0.7912 0.0049 C 0 0 0 0 0 0 0 0 0 0 0 0 15.3066 1.3160 -1.0216 C 0 0 0 0 0 0 0 0 0 0 0 0 13.1467 0.6943 -0.3354 N 0 0 0 0 0 0 0 0 0 0 0 0 11.9922 0.2661 0.2956 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9742 -0.1521 1.4698 O 0 0 0 0 0 0 0 0 0 0 0 0 10.6728 0.2900 -0.4491 C 0 0 0 0 0 0 0 0 0 0 0 0 10.6070 0.6245 -1.7698 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9145 0.4556 -2.0785 S 0 0 0 0 0 0 0 0 0 0 0 0 8.4314 -0.0313 -0.4886 C 0 0 0 0 0 0 0 0 0 0 0 0 7.0612 -0.3557 -0.0384 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7773 -0.7477 1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4541 -1.0352 1.5025 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4443 -0.9410 0.5249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7797 -0.5457 -0.7191 C 0 0 0 0 0 0 0 0 0 0 0 0 6.0935 -0.2611 -0.9745 N 0 0 0 0 0 0 0 0 0 0 0 0 3.8328 -0.3398 -1.8751 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9918 -0.9031 -3.1310 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6920 -0.2078 -3.9999 S 0 0 0 0 0 0 0 0 0 0 0 0 2.0272 0.7547 -2.7192 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8226 0.4881 -1.7278 N 0 0 0 0 0 0 0 0 0 0 0 0 0.8746 1.7104 -2.7282 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8179 2.7966 -3.6278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.6582 3.5220 -3.2026 S 0 0 0 0 0 0 0 0 0 0 0 0 -1.1302 2.4361 -1.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1349 1.6121 -1.9263 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3519 2.3850 -1.0321 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.4472 3.1766 -1.6616 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.1198 4.6135 -1.9513 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1818 2.5427 -2.7901 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4136 2.1466 -3.9915 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.0333 2.6422 0.3335 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.7515 2.4675 1.5135 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1940 1.7893 2.4670 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1076 2.9559 1.8628 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.0156 4.4747 1.9322 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2968 5.1327 2.2669 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1888 5.5558 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3810 6.1782 1.6021 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.6822 6.3785 2.9251 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8814 7.0054 3.3000 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8038 5.9625 3.9142 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6143 5.3412 3.6045 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.5368 2.5482 3.1905 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8522 2.0766 3.4648 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4387 2.3451 4.5559 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.6106 1.2399 2.4800 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.9387 1.4158 2.1507 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1682 0.1630 0.9831 S 0 0 0 0 0 0 0 0 0 0 0 0 -6.5833 -0.4828 0.9990 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9787 0.2797 1.8785 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.8660 -1.6135 0.2888 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7314 -1.9776 -0.8808 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.9654 -0.8727 -1.7098 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.0389 -2.5725 -0.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.4420 -2.9077 0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6830 -3.4726 1.0200 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5612 -3.7108 -0.0249 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.2045 -3.3926 -1.3062 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9467 -2.8277 -1.5416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5465 -2.6677 1.1843 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2706 -4.0075 0.8318 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8207 -4.9601 1.4974 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3628 -4.3997 -0.2864 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3041 -3.6769 -0.4528 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.4307 -3.9581 -1.4070 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.1426 -5.3334 -2.1292 S 0 0 0 0 0 0 0 0 0 0 0 0 -4.5392 -5.4653 -1.1416 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6396 -6.4685 -1.1913 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1707 -3.1332 -1.5846 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.9634 -2.8784 -3.0278 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7967 -4.0803 -3.8711 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5334 -4.5999 -4.0755 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7609 -4.6903 -4.4339 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0408 -3.8777 -1.0337 N 0 0 0 0 0 0 0 0 0 0 0 0 0.4641 -3.7934 0.2743 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2609 -4.8150 1.0814 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2255 -2.6835 0.9115 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8456 -2.0550 2.0976 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1706 -0.9864 2.3532 S 0 0 0 0 0 0 0 0 0 0 0 0 3.1015 -1.3882 0.9802 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3644 -2.2986 0.4069 N 0 0 0 0 0 0 0 0 0 0 0 0 9.5744 -0.0285 0.1517 N 0 0 0 0 0 0 0 0 0 0 0 0 15.2599 -0.9439 4.7076 C 0 0 0 0 0 0 0 0 0 0 0 0 14.0320 -1.1256 4.7450 O 0 0 0 0 0 0 0 0 0 0 0 0 16.0412 -1.2602 5.7888 O 0 0 0 0 0 0 0 0 0 0 0 0 17.7204 -0.4750 4.3680 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7557 0.1843 2.6889 H 0 0 0 0 0 0 0 0 0 0 0 0 13.9484 -0.3039 2.6260 H 0 0 0 0 0 0 0 0 0 0 0 0 14.8648 1.6076 -1.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3468 1.3992 -0.8402 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9328 1.0585 -1.3749 H 0 0 0 0 0 0 0 0 0 0 0 0 11.3881 0.9265 -2.4930 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5794 -0.8034 1.9584 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2014 -1.3278 2.5286 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7672 -1.6128 -3.4803 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5352 3.0859 -4.4005 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6980 1.3047 -1.1014 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2556 3.2553 -0.8530 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0104 5.2822 -1.7600 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8230 4.8146 -2.9995 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2928 5.0064 -1.3064 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9407 3.3071 -3.1376 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7664 1.6659 -2.4086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1478 3.0088 -4.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6193 1.4134 -3.8300 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1638 1.5790 -4.6444 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0407 3.0444 0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9117 2.6003 1.1904 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2782 4.7960 2.7031 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6370 4.9089 0.9719 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9301 5.3902 0.2430 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0686 6.5044 0.8335 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6996 6.3893 3.4515 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0612 6.1299 4.9348 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9084 5.0022 4.3387 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8579 2.6072 3.9611 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6785 2.1351 2.5119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9553 -1.1404 -0.1316 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1972 -2.7342 -1.5151 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9074 -0.8816 -1.9684 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7955 -2.7302 1.5638 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.9859 -3.7352 2.0229 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.5415 -4.1563 0.1975 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.9116 -3.5887 -2.1079 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7574 -2.6142 -2.5939 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5207 -2.4368 2.2329 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4664 -6.1160 -1.8328 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2487 -7.4648 -1.5373 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0504 -6.5756 -0.1464 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3567 -2.2052 -1.0121 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1317 -2.1611 -3.2324 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8886 -2.3666 -3.4093 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3526 -3.9662 -4.1879 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6953 -5.6227 -4.1104 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4065 -4.5709 -1.7087 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0330 -2.1928 2.7135 H 0 0 0 0 0 0 0 0 0 0 0 0 15.9621 -0.7345 6.6633 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 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 2 0 16 17 1 0 17 18 2 0 18 19 1 0 19 20 2 0 19 21 1 0 21 22 2 0 22 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 2 0 27 28 1 0 28 29 1 0 29 30 2 0 29 31 1 0 31 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 31 36 1 0 36 37 1 0 37 38 2 0 37 39 1 0 39 40 1 0 40 41 1 0 41 42 2 0 42 43 1 0 43 44 2 0 44 45 1 0 44 46 1 0 46 47 2 0 39 48 1 0 48 49 1 0 49 50 2 0 49 51 1 0 51 52 2 0 52 53 1 0 53 54 1 0 54 55 2 0 54 56 1 0 56 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 60 61 1 0 61 62 2 0 62 63 1 0 63 64 2 0 56 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 68 69 1 0 69 70 2 0 70 71 1 0 71 72 1 0 72 73 1 0 70 74 1 0 74 75 1 0 75 76 1 0 76 77 1 0 76 78 2 0 74 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 14 87 2 0 2 88 1 0 88 89 2 0 88 90 1 0 87 11 1 0 20 15 1 0 25 21 1 0 30 26 1 0 47 41 1 0 55 51 1 0 64 59 1 0 72 68 2 0 86 82 1 0 85 18 1 0 1 91 1 0 1 92 1 0 3 93 1 0 7 94 1 0 7 95 1 0 8 96 1 0 12 97 1 0 16 98 1 0 17 99 1 0 22100 1 0 27101 1 0 31102 1 1 32103 1 1 33104 1 0 33105 1 0 33106 1 0 34107 1 0 34108 1 0 35109 1 0 35110 1 0 35111 1 0 36112 1 0 39113 1 6 40114 1 0 40115 1 0 42116 1 0 43117 1 0 45118 1 0 46119 1 0 47120 1 0 48121 1 0 52122 1 0 56123 1 6 57124 1 6 58125 1 0 60126 1 0 61127 1 0 62128 1 0 63129 1 0 64130 1 0 65131 1 0 73132 1 0 73133 1 0 73134 1 0 74135 1 1 75136 1 0 75137 1 0 77138 1 0 77139 1 0 79140 1 0 83141 1 0 90142 1 0 M END