RDKit 3D 137139 0 0 0 0 0 0 0 0999 V2000 -1.4576 1.4756 0.4016 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8403 0.3931 -0.4713 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.2759 0.0234 -0.3610 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.6405 -1.1256 0.3681 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.5904 -1.7150 0.9195 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8786 -1.7869 0.6395 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7174 -3.2512 0.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2107 -3.1731 -1.3274 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7090 -1.7235 -1.4735 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0399 -1.4258 -0.1003 N 0 0 0 0 0 0 0 0 0 0 0 0 -7.2660 -1.0140 0.5062 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.2160 -0.6940 1.7176 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.5810 -0.9436 -0.1535 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.9681 -2.3101 -0.7405 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2233 -3.1295 0.5260 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5454 -2.0834 1.5839 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6747 -0.8308 0.8018 N 0 0 0 0 0 0 0 0 0 0 0 0 -10.6932 0.0830 1.0213 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.5638 -0.1543 1.9389 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.8782 1.3481 0.2601 C 0 0 2 0 0 0 0 0 0 0 0 0 -9.8320 2.3698 0.4731 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.6534 2.8539 1.8424 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3795 2.4584 2.9767 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.7425 3.7235 2.0213 O 0 0 0 0 0 0 0 0 0 0 0 0 -12.2275 1.8658 0.5160 N 0 0 0 0 0 0 0 0 0 0 0 0 -13.2701 1.6463 -0.4140 C 0 0 0 0 0 0 0 0 0 0 0 0 -12.9776 0.9850 -1.4892 O 0 0 0 0 0 0 0 0 0 0 0 0 -14.6589 2.0699 -0.3211 C 0 0 1 0 0 0 0 0 0 0 0 0 -15.0068 2.8504 0.8375 N 0 0 0 0 0 0 0 0 0 0 0 0 -15.2425 2.6240 -1.6103 C 0 0 1 0 0 0 0 0 0 0 0 0 -14.8240 1.8633 -2.8300 C 0 0 0 0 0 0 0 0 0 0 0 0 -16.6466 2.6446 -1.5681 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.0346 -0.8310 -0.3695 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4681 -1.7643 -1.1920 O 0 0 0 0 0 0 0 0 0 0 0 0 0.0458 -1.2033 0.4028 N 0 0 0 0 0 0 0 0 0 0 0 0 0.5978 -2.5897 0.3454 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5362 -2.9573 1.8262 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5050 -1.6353 2.5519 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8422 -0.6043 1.4067 C 0 0 1 0 0 0 0 0 0 0 0 0 2.2696 -0.4996 1.2968 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8379 -0.0819 2.4357 O 0 0 0 0 0 0 0 0 0 0 0 0 3.2237 -0.7265 0.3039 N 0 0 0 0 0 0 0 0 0 0 0 0 4.6133 -0.5355 0.6081 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4487 0.0260 -0.4755 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0736 -0.0107 -1.6507 O 0 0 0 0 0 0 0 0 0 0 0 0 6.6947 0.5983 -0.1263 N 0 0 0 0 0 0 0 0 0 0 0 0 7.6858 1.1387 -1.0592 C 0 0 1 0 0 0 0 0 0 0 0 0 7.4387 2.6560 -1.2000 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7797 2.9873 -1.8216 S 0 0 0 0 0 0 0 0 0 0 0 0 9.0071 1.0279 -0.4291 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9892 1.4145 0.8225 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2321 0.5921 -0.9117 N 0 0 0 0 0 0 0 0 0 0 0 0 11.3915 0.6000 -0.0011 C 0 0 2 0 0 0 0 0 0 0 0 0 12.6834 0.5732 -0.6297 C 0 0 0 0 0 0 0 0 0 0 0 0 12.9223 -0.2419 -1.5697 O 0 0 0 0 0 0 0 0 0 0 0 0 13.7611 1.4295 -0.2614 N 0 0 0 0 0 0 0 0 0 0 0 0 15.0795 1.4304 -0.8170 C 0 0 2 0 0 0 0 0 0 0 0 0 16.0624 2.0960 0.0454 C 0 0 0 0 0 0 0 0 0 0 0 0 17.4251 2.2932 -0.1674 N 0 0 0 0 0 0 0 0 0 0 0 0 15.5989 2.5624 1.1566 O 0 0 0 0 0 0 0 0 0 0 0 0 15.0878 2.1473 -2.1807 C 0 0 2 0 0 0 0 0 0 0 0 0 16.4514 1.9812 -2.7934 C 0 0 0 0 0 0 0 0 0 0 0 0 14.7160 3.4709 -2.0823 O 0 0 0 0 0 0 0 0 0 0 0 0 11.1574 -0.7042 0.8276 C 0 0 1 0 0 0 0 0 0 0 0 0 10.7881 -1.8050 -0.0946 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1422 -0.9263 1.7298 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2308 -1.9140 0.9895 C 0 0 1 0 0 0 0 0 0 0 0 0 4.6785 -2.4522 2.2595 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1002 -2.8149 -0.0399 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.6819 1.2663 1.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0700 2.4239 0.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4103 1.8411 0.2274 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6865 0.6916 -1.5711 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9764 0.6263 -0.8006 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1080 -1.8772 1.7479 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6514 -3.5367 0.1181 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3693 -3.9153 0.7003 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0871 -3.8257 -1.4877 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3903 -3.3669 -2.0534 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5315 -1.6193 -2.1893 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.8060 -1.1685 -1.8409 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6084 -0.1523 -0.8839 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2169 -2.8132 -1.3015 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8833 -2.2128 -1.3545 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0543 -3.7946 0.2989 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2891 -3.6624 0.8017 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8454 -2.0321 2.3949 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.5468 -2.3852 1.9852 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.8724 1.0302 -0.8124 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8643 1.9615 0.1204 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.0870 3.2430 -0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1309 1.5859 3.4701 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1649 3.0291 3.3229 H 0 0 0 0 0 0 0 0 0 0 0 0 -12.4088 2.3882 1.3783 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.2531 1.0935 -0.1662 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.1932 3.3502 1.2044 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.6356 2.3981 1.5070 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.8441 3.6692 -1.7141 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.9359 0.7504 -2.7259 H 0 0 0 0 0 0 0 0 0 0 0 0 -15.5718 2.1422 -3.6369 H 0 0 0 0 0 0 0 0 0 0 0 0 -13.8534 2.1691 -3.2366 H 0 0 0 0 0 0 0 0 0 0 0 0 -17.0288 1.8031 -1.9834 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5654 -2.6663 -0.0960 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0856 -3.2617 -0.2101 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4177 -3.5570 2.0423 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4189 -3.5220 1.9711 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4794 -1.3886 2.9338 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3438 -1.5769 3.2421 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4141 0.3278 1.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9460 -1.0070 -0.6563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7447 0.0487 1.5269 H 0 0 0 0 0 0 0 0 0 0 0 0 6.9453 0.6596 0.8856 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5716 0.6998 -2.0205 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5726 3.1163 -0.2016 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1805 3.0313 -1.9218 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6240 2.5346 -3.1453 H 0 0 0 0 0 0 0 0 0 0 0 0 10.3468 0.2601 -1.8882 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2564 1.3899 0.7297 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5631 2.1439 0.4910 H 0 0 0 0 0 0 0 0 0 0 0 0 15.3335 0.3630 -1.0824 H 0 0 0 0 0 0 0 0 0 0 0 0 18.0765 1.5181 0.1469 H 0 0 0 0 0 0 0 0 0 0 0 0 17.7948 3.1487 -0.6057 H 0 0 0 0 0 0 0 0 0 0 0 0 14.2912 1.6621 -2.8349 H 0 0 0 0 0 0 0 0 0 0 0 0 17.0249 1.2354 -2.1998 H 0 0 0 0 0 0 0 0 0 0 0 0 16.3731 1.5160 -3.8197 H 0 0 0 0 0 0 0 0 0 0 0 0 16.9201 2.9751 -2.8519 H 0 0 0 0 0 0 0 0 0 0 0 0 15.2744 4.0319 -2.6849 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2203 -0.4560 1.4257 H 0 0 0 0 0 0 0 0 0 0 0 0 10.0659 -1.4732 -0.8786 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2382 -2.6167 0.4526 H 0 0 0 0 0 0 0 0 0 0 0 0 11.6829 -2.2812 -0.5362 H 0 0 0 0 0 0 0 0 0 0 0 0 11.9277 -0.6392 2.6370 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3266 -1.6868 1.1524 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8669 -1.7600 3.1130 H 0 0 0 0 0 0 0 0 0 0 0 0 5.1942 -3.4284 2.4693 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6156 -2.6713 2.1711 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1583 -2.9838 -0.2588 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 2 0 4 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 2 0 11 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 18 19 2 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 1 0 22 24 2 0 20 25 1 0 25 26 1 0 26 27 2 0 26 28 1 0 28 29 1 0 28 30 1 0 30 31 1 0 30 32 1 0 2 33 1 0 33 34 2 0 33 35 1 0 35 36 1 0 36 37 1 0 37 38 1 0 38 39 1 0 39 40 1 0 40 41 2 0 40 42 1 0 42 43 1 0 43 44 1 0 44 45 2 0 44 46 1 0 46 47 1 0 47 48 1 0 48 49 1 0 47 50 1 0 50 51 2 0 50 52 1 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 58 59 1 0 58 60 2 0 57 61 1 0 61 62 1 0 61 63 1 0 53 64 1 0 64 65 1 0 64 66 1 0 43 67 1 0 67 68 1 0 67 69 1 0 10 6 1 0 17 13 1 0 39 35 1 0 1 70 1 0 1 71 1 0 1 72 1 0 2 73 1 6 3 74 1 0 6 75 1 1 7 76 1 0 7 77 1 0 8 78 1 0 8 79 1 0 9 80 1 0 9 81 1 0 13 82 1 6 14 83 1 0 14 84 1 0 15 85 1 0 15 86 1 0 16 87 1 0 16 88 1 0 20 89 1 6 21 90 1 0 21 91 1 0 23 92 1 0 23 93 1 0 25 94 1 0 28 95 1 1 29 96 1 0 29 97 1 0 30 98 1 6 31 99 1 0 31100 1 0 31101 1 0 32102 1 0 36103 1 0 36104 1 0 37105 1 0 37106 1 0 38107 1 0 38108 1 0 39109 1 1 42110 1 0 43111 1 1 46112 1 0 47113 1 6 48114 1 0 48115 1 0 49116 1 0 52117 1 0 53118 1 1 56119 1 0 57120 1 6 59121 1 0 59122 1 0 61123 1 6 62124 1 0 62125 1 0 62126 1 0 63127 1 0 64128 1 1 65129 1 0 65130 1 0 65131 1 0 66132 1 0 67133 1 1 68134 1 0 68135 1 0 68136 1 0 69137 1 0 M END