RDKit 3D 199209 0 0 0 0 0 0 0 0999 V2000 -10.8269 -3.5983 -1.1935 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.3494 -3.5165 0.1475 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9438 -3.3631 0.2121 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.1021 -4.4472 -0.3084 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.1612 -5.7891 0.2976 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.7773 -5.8459 1.7658 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.4177 -6.5795 0.0588 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5251 -2.8638 1.5866 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.5993 -2.6076 2.2849 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.2390 -2.7141 2.0181 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9415 -2.5603 2.4613 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.8243 -2.2838 1.5787 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9146 -1.5617 2.2527 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.4225 -2.5459 0.2698 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.5261 -2.2066 -1.0805 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.1920 -0.9988 -1.6056 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.5560 -0.7102 -1.1994 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5939 -0.7066 -2.2033 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.9073 -0.4612 -0.0527 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.1626 -2.3074 -1.7876 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0168 -3.3731 -2.5065 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.0992 -1.3742 -1.7262 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.4006 -0.9003 -0.6159 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1367 -1.5811 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.1246 -1.5360 1.1514 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9256 -2.1978 -0.7973 N 0 0 0 0 0 0 0 0 0 0 0 0 2.2261 -1.8254 -1.3125 C 0 0 1 0 0 0 0 0 0 0 0 0 2.9747 -1.0278 -0.2750 C 0 0 0 0 0 0 0 0 0 0 0 0 2.2266 -0.2978 0.4160 O 0 0 0 0 0 0 0 0 0 0 0 0 4.3780 -1.0564 -0.0408 N 0 0 0 0 0 0 0 0 0 0 0 0 5.4646 -0.7931 -0.8817 C 0 0 2 0 0 0 0 0 0 0 0 0 6.5468 -1.7022 -1.1628 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5299 -1.0102 -1.7759 O 0 0 0 0 0 0 0 0 0 0 0 0 6.8557 -3.0181 -1.0032 N 0 0 0 0 0 0 0 0 0 0 0 0 7.3190 -3.8926 0.0247 C 0 0 2 0 0 0 0 0 0 0 0 0 8.8105 -3.9518 -0.2246 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3001 -3.1546 -1.1289 O 0 0 0 0 0 0 0 0 0 0 0 0 9.6862 -4.7491 0.3981 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7887 -5.3077 -0.0883 C 0 0 0 0 0 0 0 0 0 0 0 0 7.5206 -6.3009 0.5147 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2525 -7.6587 0.3981 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0634 -8.5979 1.0486 O 0 0 0 0 0 0 0 0 0 0 0 0 6.1819 -8.0257 -0.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4399 -7.0506 -0.9704 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3471 -7.4493 -1.7484 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6807 -5.6631 -0.8695 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6814 -4.7571 -1.4862 C 0 0 0 0 0 0 0 0 0 0 0 0 3.9274 -3.7508 -0.8728 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0976 -3.0159 -1.6752 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0132 -3.2803 -3.0603 C 0 0 0 0 0 0 0 0 0 0 0 0 3.7300 -4.2532 -3.6838 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5623 -4.9840 -2.8712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3301 -6.0192 -3.4736 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0721 0.5966 -0.4618 C 0 0 2 0 0 0 0 0 0 0 0 0 6.6985 0.1797 0.6755 O 0 0 0 0 0 0 0 0 0 0 0 0 8.0451 0.3628 0.7829 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2228 1.3642 1.9419 C 0 0 0 0 0 0 0 0 0 0 0 0 9.1257 0.7858 3.0134 C 0 0 2 0 0 0 0 0 0 0 0 0 8.4297 -0.4260 3.5960 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3019 1.8024 4.0394 N 0 0 0 0 0 0 0 0 0 0 0 0 10.4125 0.4249 2.3145 C 0 0 1 0 0 0 0 0 0 0 0 0 11.2723 -0.0976 3.2469 O 0 0 0 0 0 0 0 0 0 0 0 0 10.0922 -0.5822 1.2627 C 0 0 2 0 0 0 0 0 0 0 0 0 10.7743 -0.1172 -0.0294 C 0 0 0 0 0 0 0 0 0 0 0 0 8.7474 -0.7908 1.0600 O 0 0 0 0 0 0 0 0 0 0 0 0 4.8573 1.5457 -0.2845 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0914 1.7847 -1.3893 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8324 2.4473 -1.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.3946 2.8424 -0.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1428 2.6360 1.0779 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9014 3.1328 2.8087 Cl 0 0 0 0 0 0 0 0 0 0 0 0 4.4102 1.9668 0.9330 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 3.4478 0.0214 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.0713 2.5492 0.1204 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2784 1.3723 -0.5539 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4342 0.6257 -0.3118 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 1.0995 0.5965 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1549 2.2679 1.2459 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0347 3.0201 1.0569 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8356 4.2011 1.7457 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9304 5.4440 1.1141 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.4077 6.4741 1.8178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.9320 7.6824 1.5182 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.1642 8.8064 2.2572 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7618 10.0076 1.9044 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4035 7.8492 1.7941 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.6256 8.3387 3.0951 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0752 6.4999 1.6446 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.1196 5.8460 2.8776 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3597 5.7410 0.5890 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2338 6.5330 -0.5505 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5480 5.8767 -1.7379 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.4583 6.6031 -2.6473 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9456 5.6252 -3.7227 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.2990 6.3454 -5.0003 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0990 4.8755 -3.2971 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.8061 4.6334 -3.9532 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.8892 4.1371 -5.2377 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.5123 5.3633 -3.6935 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.3824 4.5108 -4.2350 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.3055 5.7101 -2.3845 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.0478 2.8532 2.2939 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7684 1.7342 2.9299 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9793 1.4516 2.3674 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7467 0.3266 2.7773 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2120 -0.4679 3.7584 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0055 -0.1460 4.3436 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2624 1.0212 3.8934 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.7942 1.2414 4.9665 Cl 0 0 0 0 0 0 0 0 0 0 0 0 -5.7773 -1.8763 3.8728 C 0 0 1 0 0 0 0 0 0 0 0 0 -6.9160 -2.0485 4.5786 O 0 0 0 0 0 0 0 0 0 0 0 0 -10.0228 -3.3872 -1.9365 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2921 -4.6028 -1.4108 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.6779 -2.8672 -1.3322 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6726 -4.2968 0.7191 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7158 -2.4557 -0.4384 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3521 -4.5668 -1.3982 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.0257 -4.1160 -0.2585 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3292 -6.3903 -0.2087 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7104 -5.6809 1.9500 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9839 -6.8795 2.1749 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.4747 -5.1965 2.3186 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.1264 -6.5734 0.9226 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.1078 -7.6724 -0.0033 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8536 -6.3487 -0.9040 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7154 -2.1044 3.1137 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.7716 -3.6847 2.9259 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6413 -3.3945 0.3336 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1273 -3.0383 -1.5834 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5608 -0.0669 -1.4860 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1859 -1.1188 -2.7354 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9267 -1.6097 -2.5550 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9654 0.1770 -2.5303 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7759 -0.9929 -2.6822 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0581 -1.4267 0.2538 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8476 -3.2977 -0.9747 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0881 -1.1522 -2.2198 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6342 -1.3088 0.9767 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0842 -0.5358 -1.9495 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7813 -3.6074 -1.9560 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2036 -3.4589 1.0105 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1866 -5.4797 -0.1496 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3548 -6.0683 1.1973 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8918 -9.0029 0.6094 H 0 0 0 0 0 0 0 0 0 0 0 0 5.9471 -9.0661 -0.4820 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1134 -8.4115 -1.8639 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9547 -3.6035 0.2698 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3420 -2.6899 -3.7042 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6553 -4.4449 -4.7469 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2465 -6.1827 -4.4423 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8343 0.9661 -1.1066 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5046 0.8455 -0.1047 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2459 1.6794 2.3647 H 0 0 0 0 0 0 0 0 0 0 0 0 8.6685 2.2746 1.5118 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0368 -1.3503 3.5302 H 0 0 0 0 0 0 0 0 0 0 0 0 8.1202 -0.2365 4.6381 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4922 -0.6648 3.0142 H 0 0 0 0 0 0 0 0 0 0 0 0 9.7426 1.3367 4.8854 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3797 2.1675 4.3347 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8158 1.3714 1.9140 H 0 0 0 0 0 0 0 0 0 0 0 0 10.7958 -0.4759 4.0406 H 0 0 0 0 0 0 0 0 0 0 0 0 10.5768 -1.5610 1.5670 H 0 0 0 0 0 0 0 0 0 0 0 0 11.7761 -0.5691 -0.1475 H 0 0 0 0 0 0 0 0 0 0 0 0 10.1302 -0.3380 -0.8846 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9437 0.9784 0.0059 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2163 1.6445 -2.5101 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3584 2.5772 -2.2487 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8641 1.9407 1.9570 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4022 1.0895 -1.4530 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4884 0.6438 0.5769 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3696 5.3219 0.1307 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7430 7.9381 0.4371 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8616 8.7896 1.8855 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2751 8.6607 3.3573 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1329 10.5620 1.3355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8726 8.5657 1.1001 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8474 9.3160 3.0576 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1119 6.7035 1.2724 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5160 6.4472 3.5445 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7859 4.7687 0.4140 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8534 4.8494 -1.4708 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3647 6.9526 -2.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8960 7.4397 -3.1190 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8576 5.7355 -5.8415 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8665 7.3552 -5.0650 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3772 6.3275 -5.1661 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9591 5.2076 -3.7993 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0300 3.8688 -3.4827 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9843 3.7760 -3.2542 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1782 3.4857 -5.4531 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5871 6.3146 -4.2853 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3146 4.6632 -5.3249 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5343 3.4336 -4.0400 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5720 4.7929 -3.7119 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.5612 2.0105 1.5893 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7579 0.3669 2.2833 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4378 -0.5807 5.1990 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0812 -2.5995 4.4321 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.8186 -2.3991 5.5097 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 1 0 5 6 1 0 5 7 1 0 3 8 1 0 8 9 2 0 8 10 1 0 10 11 1 0 11110 1 0 110111 1 0 110106 1 0 106105 2 0 105104 1 0 104103 2 0 103102 1 0 102 78 1 0 78 77 1 0 77 76 2 0 76 75 1 0 75 74 2 0 74 73 1 0 73 69 1 0 69 70 2 0 70 71 1 0 70 72 1 0 72 66 2 0 66 67 1 0 67 68 2 0 66 54 1 0 54 55 1 0 55 56 1 0 56 57 1 0 57 58 1 0 58 59 1 0 58 60 1 1 58 61 1 0 61 62 1 0 61 63 1 0 63 64 1 0 63 65 1 0 54 31 1 0 31 30 1 0 30 28 1 0 28 29 2 0 28 27 1 0 27 26 1 0 26 24 1 0 24 25 2 0 24 23 1 0 23 22 1 0 22 20 1 0 20 21 2 0 20 15 1 0 15 16 1 0 16 17 1 0 17 18 1 0 17 19 2 0 15 14 1 0 14 12 1 0 12 13 2 0 27 49 1 0 49 50 2 0 50 51 1 0 51 52 2 0 52 53 1 0 52 47 1 0 47 48 2 0 47 46 1 0 46 39 2 0 39 40 1 0 40 41 2 0 41 42 1 0 41 43 1 0 43 44 2 0 44 45 1 0 39 35 1 0 35 34 1 0 34 32 1 0 32 33 2 0 35 36 1 0 36 38 1 0 36 37 2 0 74 79 1 0 79 80 1 0 80 81 1 0 81 82 1 0 82 83 1 0 83 84 1 0 84 85 1 0 83 86 1 0 86 87 1 0 86 88 1 0 88 89 1 0 88 90 1 0 90 91 1 0 91 92 1 0 92 93 1 0 93 94 1 0 94 95 1 0 94 96 1 1 94 97 1 0 97 98 1 0 97 99 1 0 99100 1 0 99101 1 0 103108 1 0 108109 1 0 108107 2 0 12 11 1 0 48 49 1 0 44 46 1 0 90 81 1 0 101 92 1 0 107106 1 0 79 78 2 0 23 76 1 0 68 69 1 0 65 56 1 0 32 31 1 0 1112 1 0 1113 1 0 1114 1 0 2115 1 0 3116 1 6 4117 1 0 4118 1 0 5119 1 6 6120 1 0 6121 1 0 6122 1 0 7123 1 0 7124 1 0 7125 1 0 10126 1 0 11127 1 1 110198 1 1 111199 1 0 105196 1 0 104195 1 0 77170 1 0 75169 1 0 72168 1 0 67166 1 0 68167 1 0 54151 1 6 56152 1 6 57153 1 0 57154 1 0 59155 1 0 59156 1 0 59157 1 0 60158 1 0 60159 1 0 61160 1 6 62161 1 0 63162 1 1 64163 1 0 64164 1 0 64165 1 0 31139 1 6 30138 1 0 27137 1 6 26136 1 0 23135 1 1 22134 1 0 15129 1 6 16130 1 0 16131 1 0 18132 1 0 18133 1 0 14128 1 0 50148 1 0 51149 1 0 53150 1 0 48147 1 0 40143 1 0 42144 1 0 43145 1 0 45146 1 0 35141 1 1 34140 1 0 38142 1 0 81171 1 6 83172 1 6 84173 1 0 84174 1 0 85175 1 0 86176 1 6 87177 1 0 88178 1 6 89179 1 0 90180 1 6 92181 1 1 93182 1 0 93183 1 0 95184 1 0 95185 1 0 95186 1 0 96187 1 0 96188 1 0 97189 1 1 98190 1 0 99191 1 6 100192 1 0 100193 1 0 100194 1 0 107197 1 0 M END