RDKit 3D 188189 0 0 0 0 0 0 0 0999 V2000 15.4939 2.4109 -2.6747 H 0 0 0 0 0 0 0 0 0 0 0 0 15.4708 2.6968 -1.6778 N 0 0 0 0 0 0 0 0 0 0 0 0 15.7891 1.8477 -0.7737 C 0 0 0 0 0 0 0 0 0 0 0 0 16.1644 0.5402 -1.1629 N 0 0 0 0 0 0 0 0 0 0 0 0 17.4531 0.0164 -0.7992 C 0 0 0 0 0 0 0 0 0 0 0 0 15.7925 2.1704 0.5997 N 0 0 0 0 0 0 0 0 0 0 0 0 14.7311 2.7014 1.3764 C 0 0 0 0 0 0 0 0 0 0 0 0 13.5902 1.7848 1.6153 C 0 0 0 0 0 0 0 0 0 0 0 0 12.8178 1.3141 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 12.2054 2.4636 -0.2594 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9901 2.7952 -0.5146 C 0 0 0 0 0 0 0 0 0 0 0 0 9.6871 2.1926 -0.2431 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7060 0.9073 0.4739 C 0 0 0 0 0 0 0 0 0 0 0 0 8.2607 0.4019 0.7538 C 0 0 0 0 0 0 0 0 0 0 0 0 7.4786 0.2018 -0.4826 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2899 -0.8353 -1.3205 C 0 0 0 0 0 0 0 0 0 0 0 0 6.1630 -0.4278 -0.2836 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1379 0.2219 0.5768 C 0 0 2 0 0 0 0 0 0 0 0 0 5.4822 0.3839 2.0174 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8570 -0.5800 0.4379 C 0 0 2 0 0 0 0 0 0 0 0 0 3.5161 -0.5648 -0.9296 O 0 0 0 0 0 0 0 0 0 0 0 0 3.0756 -1.5998 -1.6958 C 0 0 0 0 0 0 0 0 0 0 0 0 2.0592 -1.3623 -2.4418 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6165 -2.9520 -1.7764 C 0 0 2 0 0 0 0 0 0 0 0 0 3.8196 -3.3339 -3.2450 C 0 0 0 0 0 0 0 0 0 0 0 0 2.6342 -3.9120 -1.1252 C 0 0 1 0 0 0 0 0 0 0 0 0 3.0830 -4.0879 0.1913 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2867 -3.2938 -1.1899 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2656 -3.6989 -1.9123 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3306 -5.0572 -1.9456 C 0 0 1 0 0 0 0 0 0 0 0 0 0.3903 -6.0379 -1.0845 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7817 -4.8726 -1.5487 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.7806 -4.2549 -0.2878 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5856 -6.1287 -1.5399 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3709 -6.1604 -0.2422 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.7039 -7.0417 0.6242 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.7665 -6.6847 -0.3965 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.7973 -8.0718 -0.9589 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6942 -5.7836 -1.1509 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.6138 -5.8980 -2.5249 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5993 -4.3470 -0.7434 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2036 -4.0889 0.6201 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4912 -2.6172 0.8297 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.4643 -2.3637 2.3120 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7742 -2.2729 0.1654 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.4393 -3.4308 -0.2456 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.7222 -1.4647 0.9959 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5146 0.0413 0.8122 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.5377 0.5802 2.1210 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2616 0.2154 0.2906 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9581 1.5192 -0.0251 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.8461 2.0404 -1.1013 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2776 1.6306 -1.0109 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.0188 2.8451 -0.8214 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.9397 3.2972 -1.7507 C 0 0 0 0 0 0 0 0 0 0 0 0 -11.1025 2.5921 -2.7801 O 0 0 0 0 0 0 0 0 0 0 0 0 -11.6740 4.5448 -1.5144 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.0462 4.3343 -1.0276 C 0 0 0 0 0 0 0 0 0 0 0 0 -13.7777 5.3221 -0.8032 O 0 0 0 0 0 0 0 0 0 0 0 0 -13.5307 3.0626 -0.8172 O 0 0 0 0 0 0 0 0 0 0 0 0 -9.6350 0.6908 0.0753 C 0 0 2 0 0 0 0 0 0 0 0 0 -10.5676 1.2843 0.9602 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9689 2.4560 1.1362 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.0446 3.6390 0.9437 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.7510 4.7073 0.3219 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9682 5.9012 0.9809 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5354 6.0443 2.1480 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.6990 7.0408 0.3679 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7914 8.1905 1.2898 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3141 8.2024 2.4535 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.4441 9.3341 0.8523 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8165 3.3095 0.1653 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7977 4.4162 0.3850 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.7038 4.8048 1.6964 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4955 3.9591 -0.2192 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8432 2.8429 0.5456 C 0 0 1 0 0 0 0 0 0 0 0 0 -1.9210 1.6214 -0.1132 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4023 3.1747 0.9259 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2949 3.4167 2.3952 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4783 4.5601 2.6742 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1501 2.2484 3.1722 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3977 1.9848 3.5055 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5699 2.0466 2.6642 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8301 1.4211 1.5536 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7062 -0.0086 1.2328 C 0 0 2 0 0 0 0 0 0 0 0 0 2.3260 -0.8916 2.3926 C 0 0 0 0 0 0 0 0 0 0 0 0 15.5063 -0.0406 -1.7100 H 0 0 0 0 0 0 0 0 0 0 0 0 17.6573 -0.8806 -1.4056 H 0 0 0 0 0 0 0 0 0 0 0 0 18.2106 0.8136 -0.9703 H 0 0 0 0 0 0 0 0 0 0 0 0 17.4603 -0.3167 0.2765 H 0 0 0 0 0 0 0 0 0 0 0 0 16.7094 1.9895 1.1156 H 0 0 0 0 0 0 0 0 0 0 0 0 14.3630 3.6754 0.9496 H 0 0 0 0 0 0 0 0 0 0 0 0 15.1281 2.9843 2.4015 H 0 0 0 0 0 0 0 0 0 0 0 0 13.8915 0.9122 2.2687 H 0 0 0 0 0 0 0 0 0 0 0 0 12.8737 2.3478 2.2949 H 0 0 0 0 0 0 0 0 0 0 0 0 13.5940 0.9053 -0.3109 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1900 0.4534 0.6233 H 0 0 0 0 0 0 0 0 0 0 0 0 12.9849 3.1983 -0.6256 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9007 3.7880 -1.0831 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0770 2.9837 0.2760 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2251 2.0036 -1.2707 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1437 0.9745 1.4800 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1138 0.1331 -0.1920 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3890 -0.5472 1.2990 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8235 1.1410 1.4789 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4580 1.0880 -1.1572 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0658 -0.3000 -1.9075 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8152 -1.4978 -0.6064 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6171 -1.4386 -1.9463 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3326 -1.5051 0.0043 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6508 -0.5500 -1.3025 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9959 1.2542 0.1521 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5840 0.0831 2.6395 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3031 -0.3179 2.3140 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7276 1.3806 2.3634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0549 -1.5966 0.7787 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6019 -3.0832 -1.2944 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5038 -4.3930 -3.3558 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8386 -3.1177 -3.5835 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0762 -2.7295 -3.8292 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7094 -4.8428 -1.7125 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0978 -5.0724 0.3363 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1517 -2.3951 -0.5579 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2192 -2.9563 -2.5747 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2693 -5.4360 -3.0028 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3001 -6.8094 -0.6722 H 0 0 0 0 0 0 0 0 0 0 0 0 1.1269 -6.6196 -1.6813 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7968 -5.5138 -0.2197 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1886 -4.1107 -2.2505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1771 -4.8128 0.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0391 -7.0598 -1.6839 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.2892 -6.0644 -2.4235 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3864 -5.1848 0.2660 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3199 -7.8254 0.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1784 -6.7592 0.6472 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9764 -8.8519 -0.1646 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7835 -8.3286 -1.3608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6020 -8.2174 -1.7006 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7385 -6.1208 -0.8787 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6685 -5.0227 -2.9936 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6018 -3.9138 -0.7648 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2374 -3.7683 -1.4692 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1565 -4.6795 0.6428 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5650 -4.4668 1.4493 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6420 -2.0675 0.3802 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5476 -1.2731 2.5255 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1670 -2.9778 2.8775 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4408 -2.6457 2.6655 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.5595 -1.6930 -0.7661 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0905 -3.6511 0.4646 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.7474 -1.6632 0.6154 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7245 -1.7656 2.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.3523 0.3125 2.6012 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9056 1.5042 -0.4296 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6982 3.1561 -1.1531 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4477 1.6816 -2.0944 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6348 1.2301 -2.0070 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6568 5.2318 -2.4012 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.1464 5.1335 -0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 -14.3360 2.7708 -1.3268 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.2292 -0.1610 -0.3776 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.4900 2.2559 0.9644 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6137 1.8917 2.0402 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9721 2.8787 1.3447 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7493 3.9713 1.9576 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2472 7.3731 -0.5799 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7368 6.6888 0.1630 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7635 9.4848 -0.0790 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0082 3.2880 -0.9428 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3417 2.3816 0.5359 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1009 5.3252 -0.2097 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6644 4.0862 2.3531 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7391 3.6052 -1.2523 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8071 4.8254 -0.2828 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4244 2.7094 1.4969 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9900 1.3312 -0.2919 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1753 4.1543 0.4185 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3099 2.4500 0.5234 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3287 3.6980 2.7505 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7853 4.9013 1.8029 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5982 1.5426 3.5037 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5689 1.6800 4.5610 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3793 2.7288 3.0122 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2008 2.0420 0.7146 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 -0.0854 0.5426 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3512 -1.4125 2.2541 H 0 0 0 0 0 0 0 0 0 0 0 0 3.0695 -1.7297 2.4126 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3915 -0.3994 3.3821 H 0 0 0 0 0 0 0 0 0 0 0 0 5 4 1 0 4 3 1 0 3 2 2 0 3 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 2 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 15 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 21 22 1 0 22 23 2 0 22 24 1 0 24 25 1 0 24 26 1 0 26 27 1 0 26 28 1 0 28 29 2 0 29 30 1 0 30 31 1 0 30 32 1 0 32 33 1 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 37 39 1 0 39 40 1 0 39 41 1 0 41 42 1 0 42 43 1 0 43 44 1 0 43 45 1 0 45 46 1 0 45 47 1 0 47 48 1 0 48 49 1 1 48 50 1 0 50 51 1 0 51 52 1 0 52 53 1 0 53 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 60 1 0 58 59 2 0 53 61 1 0 61 62 1 0 51 63 1 0 63 64 1 0 64 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 75 76 1 0 76 77 1 0 76 78 1 0 78 79 1 0 79 80 1 0 79 81 1 0 81 82 2 0 82 83 1 0 83 84 2 0 84 85 1 0 85 86 1 0 64 65 1 0 65 66 1 0 66 67 2 0 66 68 1 0 68 69 1 0 69 71 1 0 69 70 2 0 85 20 1 0 61 48 1 0 5 88 1 0 5 89 1 0 5 90 1 0 4 87 1 0 2 1 1 0 6 91 1 0 7 92 1 0 7 93 1 0 8 94 1 0 8 95 1 0 9 96 1 0 9 97 1 0 10 98 1 0 11 99 1 0 12100 1 0 12101 1 0 13102 1 0 13103 1 0 14104 1 0 14105 1 0 15106 1 6 16107 1 0 16108 1 0 16109 1 0 17110 1 0 17111 1 0 18112 1 6 19113 1 0 19114 1 0 19115 1 0 20116 1 1 24117 1 1 25118 1 0 25119 1 0 25120 1 0 26121 1 6 27122 1 0 28123 1 0 29124 1 0 30125 1 6 31126 1 0 31127 1 0 31128 1 0 32129 1 6 33130 1 0 34131 1 0 34132 1 0 35133 1 1 36134 1 0 37135 1 1 38136 1 0 38137 1 0 38138 1 0 39139 1 1 40140 1 0 41141 1 0 41142 1 0 42143 1 0 42144 1 0 43145 1 6 44146 1 0 44147 1 0 44148 1 0 45149 1 6 46150 1 0 47151 1 0 47152 1 0 49153 1 0 51154 1 6 52155 1 0 52156 1 0 53157 1 6 57158 1 0 57159 1 0 60160 1 0 61161 1 6 62162 1 0 63163 1 0 63164 1 0 64165 1 1 72169 1 0 72170 1 0 73171 1 6 74172 1 0 75173 1 0 75174 1 0 76175 1 1 77176 1 0 78177 1 0 78178 1 0 79179 1 1 80180 1 0 81181 1 0 82182 1 0 83183 1 0 84184 1 0 85185 1 6 86186 1 0 86187 1 0 86188 1 0 68166 1 0 68167 1 0 71168 1 0 M END