RDKit 3D 174178 0 0 0 0 0 0 0 0999 V2000 -1.9997 1.2903 -3.1908 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8071 -0.0261 -2.4175 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.2963 -0.2216 -2.0010 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6066 -0.4857 -3.2262 C 0 0 0 0 0 0 0 0 0 0 0 0 2.1258 -0.5924 -3.0019 C 0 0 1 0 0 0 0 0 0 0 0 0 2.6615 0.6564 -2.3270 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4772 0.3323 -0.8371 C 0 0 2 0 0 0 0 0 0 0 0 0 3.6811 0.8652 -0.0494 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4789 -1.1147 -0.7295 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5994 -1.6929 -2.0392 C 0 0 2 0 0 0 0 0 0 0 0 0 4.0840 -2.0403 -2.2661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8106 -3.0010 -2.0846 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1240 0.9027 -0.3090 C 0 0 2 0 0 0 0 0 0 0 0 0 0.5215 0.2678 0.9661 C 0 0 0 0 0 0 0 0 0 0 0 0 1.3863 0.4123 2.2267 C 0 0 0 0 0 0 0 0 0 0 0 0 0.6149 0.2421 3.5551 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.1093 -1.1084 3.6115 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4888 0.6203 4.7971 C 0 0 1 0 0 0 0 0 0 0 0 0 0.6810 0.6317 6.1026 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7364 0.9204 7.1526 C 0 0 0 0 0 0 0 0 0 0 0 0 2.9160 0.0251 6.7474 C 0 0 2 0 0 0 0 0 0 0 0 0 4.2150 0.5742 7.3043 C 0 0 0 0 0 0 0 0 0 0 0 0 5.0221 1.3799 6.5786 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6586 1.6587 5.1366 C 0 0 0 0 0 0 0 0 0 0 0 0 4.0508 0.4278 4.4638 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8076 -0.1460 5.1836 C 0 0 2 0 0 0 0 0 0 0 0 0 2.7485 -1.6542 4.8755 C 0 0 0 0 0 0 0 0 0 0 0 0 6.3118 2.0147 7.1539 C 0 0 1 0 0 0 0 0 0 0 0 0 7.5057 1.1846 6.6100 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5456 3.4722 6.6674 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5554 4.4727 7.2597 C 0 0 2 0 0 0 0 0 0 0 0 0 5.7575 5.7493 6.6590 O 0 0 0 0 0 0 0 0 0 0 0 0 4.7470 6.2053 5.4565 S 0 0 2 0 0 6 0 0 0 0 0 0 4.8440 5.1336 4.4652 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2798 7.4822 4.9867 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4360 6.3001 6.0961 O 0 0 0 0 0 1 0 0 0 0 0 0 5.7373 4.5213 8.7922 C 0 0 2 0 0 0 0 0 0 0 0 0 7.0945 4.8149 9.1338 O 0 0 0 0 0 0 0 0 0 0 0 0 7.4656 6.0756 10.1032 S 0 0 2 0 0 6 0 0 0 0 0 0 6.4782 6.0486 11.1798 O 0 0 0 0 0 0 0 0 0 0 0 0 7.3838 7.2525 9.2467 O 0 0 0 0 0 0 0 0 0 0 0 0 8.8255 5.7711 10.5509 O 0 0 0 0 0 1 0 0 0 0 0 0 5.3716 3.1077 9.3472 C 0 0 2 0 0 0 0 0 0 0 0 0 5.3785 3.1271 10.8787 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2965 1.9769 8.7393 C 0 0 1 0 0 0 0 0 0 0 0 0 5.9383 0.5261 9.1923 C 0 0 1 0 0 0 0 0 0 0 0 0 6.1097 0.3480 10.5947 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0663 -1.1547 11.2396 S 0 0 1 0 0 6 0 0 0 0 0 0 4.6409 -1.4462 11.3764 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7588 -2.0076 10.2754 O 0 0 0 0 0 0 0 0 0 0 0 0 6.7676 -1.0171 12.5138 O 0 0 0 0 0 1 0 0 0 0 0 0 4.5226 0.1631 8.7297 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1009 0.9789 -1.3283 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.4074 -1.2401 -3.1910 C 0 0 1 0 0 0 0 0 0 0 0 0 -2.2979 -2.5696 -2.3941 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.4872 -3.4491 -2.8161 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0758 -2.7217 -4.0224 C 0 0 1 0 0 0 0 0 0 0 0 0 -5.4443 -3.0747 -4.5605 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1630 -2.1535 -5.2528 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6533 -0.7238 -5.4222 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2305 -0.4330 -4.9068 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.9062 -1.2252 -3.6330 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.8294 -0.7797 -2.4729 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.5554 -2.4867 -5.8481 C 0 0 1 0 0 0 0 0 0 0 0 0 -8.6106 -1.9805 -4.8271 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8733 -1.7566 -7.1790 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0306 -2.2019 -8.3749 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4715 -1.3982 -9.4721 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.9364 -1.6884 -10.9795 S 0 0 2 0 0 6 0 0 0 0 0 0 -7.7813 -2.8007 -11.4125 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.5262 -2.0215 -10.8113 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.1848 -0.4341 -11.6824 O 0 0 0 0 0 1 0 0 0 0 0 0 -7.2009 -3.7128 -8.5994 C 0 0 2 0 0 0 0 0 0 0 0 0 -8.5348 -3.9995 -9.0406 O 0 0 0 0 0 0 0 0 0 0 0 0 -6.8730 -4.5221 -7.3234 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.0445 -6.0168 -7.6329 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7066 -4.0394 -6.0785 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.3648 -4.7705 -4.7521 C 0 0 1 0 0 0 0 0 0 0 0 0 -7.5906 -6.1689 -4.8630 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2907 -6.9626 -3.6226 S 0 0 1 0 0 6 0 0 0 0 0 0 -9.6206 -6.3672 -3.5225 O 0 0 0 0 0 0 0 0 0 0 0 0 -8.2860 -8.3563 -4.0594 O 0 0 0 0 0 0 0 0 0 0 0 0 -7.4175 -6.6887 -2.4848 O 0 0 0 0 0 1 0 0 0 0 0 0 -5.9119 -4.5004 -4.3405 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8616 -6.3850 8.8063 Na 0 0 0 0 0 15 0 0 0 0 0 0 -2.7652 1.6218 3.9925 Na 0 0 0 0 0 15 0 0 0 0 0 0 7.6519 2.6259 -4.8444 Na 0 0 0 0 0 15 0 0 0 0 0 0 -2.2430 9.5606 1.7675 Na 0 0 0 0 0 15 0 0 0 0 0 0 8.6372 5.5568 -6.3077 Na 0 0 0 0 0 15 0 0 0 0 0 0 -3.0477 1.5988 -3.1779 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6813 1.1946 -4.2335 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4430 2.1202 -2.7454 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3600 0.0954 -1.4756 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2526 -1.0593 -1.3032 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2848 -1.4008 -3.7336 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4612 0.3295 -3.9465 H 0 0 0 0 0 0 0 0 0 0 0 0 2.5856 -0.7216 -3.9898 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7213 0.7769 -2.5829 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1743 1.5854 -2.6423 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6236 0.5420 -0.5062 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7200 0.4738 0.9672 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6854 1.9591 -0.0117 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7377 -1.1674 -2.1845 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4359 -2.7456 -1.5039 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2390 -2.4907 -3.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7840 -3.4182 -3.0963 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2601 -3.7478 -1.4190 H 0 0 0 0 0 0 0 0 0 0 0 0 0.7881 -2.8805 -1.7240 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3015 1.9605 -0.0739 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3068 -0.7930 0.7952 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4549 0.7391 1.1407 H 0 0 0 0 0 0 0 0 0 0 0 0 2.1815 -0.3363 2.1814 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8511 1.4053 2.2263 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1868 0.9962 3.5396 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9248 -1.1310 2.8795 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5496 -1.9451 3.3691 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5688 -1.2970 4.5838 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7802 1.6686 4.6247 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1024 1.3959 6.0969 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2172 -0.3370 6.3117 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0087 1.9833 7.1278 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3761 0.6929 8.1613 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7473 -0.9603 7.2049 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5480 1.9214 4.5552 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9743 2.5123 5.0877 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8362 -0.3404 4.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 3.8224 0.6719 3.4231 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7499 -1.8501 3.7998 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8643 -2.1228 5.3194 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6232 -2.1702 5.2903 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3617 0.1058 6.7298 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4375 1.4575 7.1182 H 0 0 0 0 0 0 0 0 0 0 0 0 7.6586 1.3596 5.5382 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5284 3.5354 5.5744 H 0 0 0 0 0 0 0 0 0 0 0 0 7.5686 3.7859 6.9201 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5290 4.1440 7.0542 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0641 5.2856 9.1991 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3336 2.9127 9.0483 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3966 3.1470 11.2794 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8385 4.0010 11.2577 H 0 0 0 0 0 0 0 0 0 0 0 0 4.8582 2.2579 11.2899 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3139 2.1826 9.1024 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6485 -0.1503 8.7071 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7791 0.5998 9.4076 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4018 -0.9240 8.8093 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8207 -1.3623 -4.1119 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3269 -2.4052 -1.3112 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3546 -3.0729 -2.6282 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1600 -4.4637 -3.0671 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2096 -3.5297 -1.9959 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.3935 -2.9473 -4.8603 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3507 -0.0517 -4.9068 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6641 -0.4368 -6.4780 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5127 -0.6925 -5.6968 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1363 0.6456 -4.7570 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8812 -1.0168 -2.6590 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5635 -1.2523 -1.5221 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7682 0.3025 -2.3190 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.6111 -2.3499 -5.0795 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3889 -2.2882 -3.7997 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.6611 -0.8849 -4.8178 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9345 -1.9093 -7.4279 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7916 -0.6674 -7.0639 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9751 -1.9750 -8.1884 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5287 -4.0496 -9.3969 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.5662 -3.6409 -9.9608 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8068 -4.3606 -7.1198 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0981 -6.3139 -7.6172 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4928 -6.6355 -6.9198 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6405 -6.2630 -8.6214 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.7601 -4.2597 -6.3052 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0211 -4.3798 -3.9671 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8126 -4.7572 -3.2801 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2388 -5.1827 -4.8755 H 0 0 0 0 0 0 0 0 0 0 0 0 75 76 1 0 59 58 2 0 67 68 1 0 23 24 1 0 22 21 1 0 26 25 1 0 25 24 1 0 26 21 1 0 75 77 1 0 64 65 1 1 64 66 1 0 62 63 1 1 64 77 1 0 21 20 1 0 20 19 1 0 19 18 1 0 18 26 1 0 54 2 1 0 37 38 1 0 43 44 1 0 2 3 1 0 31 32 1 0 59 60 1 0 28 29 1 6 2 1 1 0 26 27 1 1 58 57 1 0 18 16 1 0 62 61 1 0 16 17 1 0 61 60 1 0 16 15 1 0 62 57 1 0 15 14 1 0 14 13 1 0 67 73 1 0 78 79 1 0 67 66 1 0 46 47 1 0 73 75 1 0 32 33 1 0 4 5 1 0 38 39 1 0 5 10 1 0 33 36 1 1 4 3 1 0 3 53 1 0 39 42 1 1 53 13 1 0 13 7 1 0 33 34 2 0 7 9 1 0 33 35 2 0 9 10 1 0 39 40 2 0 31 37 1 0 39 41 2 0 64 59 1 0 79 80 1 0 77 78 1 0 80 83 1 1 57 56 1 0 56 55 1 0 68 69 1 0 31 30 1 0 69 72 1 6 37 43 1 0 43 45 1 0 80 81 2 0 28 30 1 0 80 82 2 0 28 45 1 0 69 70 2 0 55 54 1 0 69 71 2 0 54 62 1 0 10 11 1 6 78 84 1 0 10 12 1 0 73 74 1 0 5 6 1 0 6 7 1 0 28 23 1 0 7 8 1 1 45 46 1 0 47 48 1 0 46 52 1 0 48 51 1 1 52 22 1 0 23 22 2 0 48 49 2 0 84 58 1 0 48 50 2 0 67164 1 1 73165 1 6 75167 1 1 66162 1 0 66163 1 0 77171 1 6 78172 1 1 84173 1 0 84174 1 0 61154 1 0 61155 1 0 60152 1 0 60153 1 0 57151 1 6 56149 1 0 56150 1 0 55147 1 0 55148 1 0 54146 1 6 74166 1 0 76168 1 0 76169 1 0 76170 1 0 65159 1 0 65160 1 0 65161 1 0 63156 1 0 63157 1 0 63158 1 0 2 93 1 1 3 94 1 1 1 90 1 0 1 91 1 0 1 92 1 0 4 95 1 0 4 96 1 0 5 97 1 6 13109 1 1 31136 1 1 37137 1 1 43138 1 1 30134 1 0 30135 1 0 45142 1 1 46143 1 6 52144 1 0 52145 1 0 25126 1 0 25127 1 0 24124 1 0 24125 1 0 21123 1 1 20121 1 0 20122 1 0 19119 1 0 19120 1 0 18118 1 6 44139 1 0 44140 1 0 44141 1 0 29131 1 0 29132 1 0 29133 1 0 27128 1 0 27129 1 0 27130 1 0 16114 1 6 17115 1 0 17116 1 0 17117 1 0 15112 1 0 15113 1 0 14110 1 0 14111 1 0 11103 1 0 11104 1 0 11105 1 0 12106 1 0 12107 1 0 12108 1 0 6 98 1 0 6 99 1 0 8100 1 0 8101 1 0 8102 1 0 M CHG 8 36 -1 42 -1 51 -1 72 -1 83 -1 85 1 86 1 87 1 M CHG 2 88 1 89 1 M END