RDKit 3D 171174 0 0 0 0 0 0 0 0999 V2000 4.0442 -6.4294 1.0172 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2542 -6.5020 2.2992 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8003 -6.2510 2.1557 C 0 0 2 0 0 0 0 0 0 0 0 0 1.1440 -7.2047 1.2050 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4505 -4.7958 1.8607 C 0 0 1 0 0 0 0 0 0 0 0 0 1.9501 -4.2530 0.7307 O 0 0 0 0 0 0 0 0 0 0 0 0 2.2556 -3.1616 0.0471 C 0 0 0 0 0 0 0 0 0 0 0 0 1.2547 -2.4660 -0.4697 O 0 0 0 0 0 0 0 0 0 0 0 0 3.5207 -2.4945 -0.3031 C 0 0 2 0 0 0 0 0 0 0 0 0 4.1952 -3.0620 -1.5438 C 0 0 2 0 0 0 0 0 0 0 0 0 3.2027 -3.5517 -2.5588 C 0 0 0 0 0 0 0 0 0 0 0 0 5.1481 -4.1983 -1.2543 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9971 -2.0903 -2.1836 O 0 0 0 0 0 0 0 0 0 0 0 0 4.4170 -2.0947 0.7356 N 0 0 0 0 0 0 0 0 0 0 0 0 4.4119 -2.7421 2.0626 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4044 -1.0799 0.5945 C 0 0 0 0 0 0 0 0 0 0 0 0 6.6035 -1.4176 0.9719 O 0 0 0 0 0 0 0 0 0 0 0 0 5.2512 0.2914 0.0779 C 0 0 2 0 0 0 0 0 0 0 0 0 6.2507 1.1912 0.7290 C 0 0 0 0 0 0 0 0 0 0 0 0 6.2185 1.4379 2.1617 C 0 0 1 0 0 0 0 0 0 0 0 0 6.3668 0.3451 3.1428 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3935 2.4112 2.4559 C 0 0 0 0 0 0 0 0 0 0 0 0 3.8936 0.8131 0.2038 N 0 0 0 0 0 0 0 0 0 0 0 0 3.1053 1.4635 -0.7284 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9268 0.9595 -0.9087 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3688 2.6480 -1.5683 C 0 0 2 0 0 0 0 0 0 0 0 0 4.5266 2.5478 -2.4821 C 0 0 1 0 0 0 0 0 0 0 0 0 4.2706 1.3489 -3.4371 C 0 0 0 0 0 0 0 0 0 0 0 0 4.6607 3.7351 -3.4102 C 0 0 0 0 0 0 0 0 0 0 0 0 3.5003 3.8288 -0.7414 N 0 0 0 0 0 0 0 0 0 0 0 0 4.7909 4.4510 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 2.4046 4.4236 -0.0625 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5936 4.8489 1.1092 O 0 0 0 0 0 0 0 0 0 0 0 0 1.0259 4.5931 -0.6250 C 0 0 2 0 0 0 0 0 0 0 0 0 0.8993 6.0218 -1.1722 C 0 0 2 0 0 0 0 0 0 0 0 0 1.9312 6.2762 -2.2644 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0124 7.0610 -0.0961 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8773 8.4188 -0.7709 C 0 0 0 0 0 0 0 0 0 0 0 0 0.1368 4.4380 0.4976 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.8881 3.5138 0.7074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.7835 2.7079 1.7175 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1314 3.2865 -0.0580 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.3571 4.1967 -1.2148 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.9088 5.4466 -0.6331 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0176 5.1662 0.8806 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.2101 3.7063 0.8500 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.1083 2.7894 1.4439 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.2646 2.8968 2.6804 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.8170 1.7780 0.6736 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.0717 2.4144 0.1139 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0158 2.9255 1.1011 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8889 4.1987 1.6048 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7668 4.7314 2.5288 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.8027 3.9118 2.9347 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.9698 2.6276 2.4558 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0628 2.1589 1.5403 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.0482 0.5356 1.3687 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.2315 0.6237 2.8333 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1171 -0.7402 0.7438 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.1871 -1.4112 0.9748 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.0831 -1.3671 -0.1391 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.4406 -1.3155 -1.5766 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6642 -1.9923 -2.0025 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6478 -3.2854 -2.4554 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.8104 -3.8901 -2.8526 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0193 -3.2332 -2.8122 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.0793 -1.9305 -2.3628 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9018 -1.3486 -1.9715 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.0651 -2.7746 0.2890 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.0896 -3.4955 0.9369 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3156 -3.8130 2.1801 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7489 -3.9878 0.3911 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9199 -4.5676 -0.9629 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6931 -5.0831 -1.6495 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.0032 -5.6099 -1.1086 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.1759 -4.8668 1.3916 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.0647 -6.0250 1.7107 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0111 -4.7737 2.1304 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2008 -4.6266 3.4475 O 0 0 0 0 0 0 0 0 0 0 0 0 3.4282 -5.9387 0.2634 H 0 0 0 0 0 0 0 0 0 0 0 0 4.3417 -7.4652 0.7104 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9677 -5.8792 1.2061 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4211 -7.5387 2.7433 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7285 -5.8304 3.0683 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3714 -6.4100 3.2070 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5299 -7.9186 1.7909 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9370 -7.8140 0.7177 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5146 -6.6800 0.4881 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9271 -4.2656 2.7925 H 0 0 0 0 0 0 0 0 0 0 0 0 3.2196 -1.4336 -0.7176 H 0 0 0 0 0 0 0 0 0 0 0 0 2.3278 -2.8791 -2.6667 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9042 -4.6100 -2.3858 H 0 0 0 0 0 0 0 0 0 0 0 0 3.7175 -3.5475 -3.5527 H 0 0 0 0 0 0 0 0 0 0 0 0 4.6944 -5.1664 -1.5530 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5844 -4.1558 -0.2602 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0396 -4.1187 -1.9556 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0642 -2.3662 -3.1391 H 0 0 0 0 0 0 0 0 0 0 0 0 3.6603 -2.1944 2.6619 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3847 -2.6353 2.5885 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1000 -3.7797 1.9857 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5436 0.2440 -1.0049 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2584 0.7404 0.4718 H 0 0 0 0 0 0 0 0 0 0 0 0 6.2526 2.1631 0.1907 H 0 0 0 0 0 0 0 0 0 0 0 0 5.3278 2.1101 2.4337 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5404 -0.3600 3.2056 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3882 -0.0956 3.1577 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3328 0.8653 4.1710 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4616 2.4645 3.5478 H 0 0 0 0 0 0 0 0 0 0 0 0 8.2929 1.9259 2.0210 H 0 0 0 0 0 0 0 0 0 0 0 0 7.1660 3.3997 2.0120 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5042 0.6367 1.1888 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4605 2.8876 -2.2167 H 0 0 0 0 0 0 0 0 0 0 0 0 5.5018 2.3358 -2.0711 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4852 1.6589 -4.1563 H 0 0 0 0 0 0 0 0 0 0 0 0 4.0227 0.4533 -2.8564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2018 1.2634 -4.0333 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1119 3.5141 -4.3571 H 0 0 0 0 0 0 0 0 0 0 0 0 4.2862 4.6862 -2.9564 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7515 3.9075 -3.6464 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6133 4.0355 -1.1368 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7731 5.5615 -0.7695 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0919 4.3131 0.5209 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8462 3.9146 -1.4502 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0898 6.1478 -1.6500 H 0 0 0 0 0 0 0 0 0 0 0 0 1.5307 7.0448 -2.9876 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0125 5.3421 -2.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 2.9102 6.5686 -1.8629 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9467 6.9982 0.4833 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1018 6.9897 0.5659 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2218 8.3653 -1.6514 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4676 9.1505 -0.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8797 8.7810 -1.0806 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3244 5.1436 1.2830 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2518 2.2090 -0.3255 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1357 3.6834 -1.8505 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4929 4.3021 -1.8861 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9480 5.5958 -1.0432 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2761 6.3050 -0.8295 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0442 5.3822 1.3324 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8532 5.7191 1.2927 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1783 1.4941 -0.2238 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6965 3.2840 -0.5114 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5563 1.7550 -0.6276 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0783 4.8653 1.2942 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6499 5.7442 2.9204 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.5132 4.2965 3.6607 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8124 2.0073 2.8085 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.2271 1.1378 1.1816 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8787 1.4191 3.1591 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6579 -0.3171 3.2531 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.2043 0.6725 3.2726 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0823 -0.8892 -0.0408 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5139 -0.2456 -1.9470 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.6148 -1.7301 -2.2298 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6808 -3.8034 -2.4959 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7830 -4.9139 -3.2096 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9561 -3.7074 -3.1299 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0310 -1.3797 -2.3200 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.9418 -0.3253 -1.6201 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9998 -3.2477 0.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.1899 -3.0383 0.2776 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.2785 -3.7048 -1.6167 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.7518 -6.2095 -1.7940 H 0 0 0 0 0 0 0 0 0 0 0 0 0.2156 -4.9357 -1.0564 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4995 -4.5923 -2.6335 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.1860 -5.6590 -2.2353 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7160 -6.6266 -0.8521 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9774 -5.2562 -0.7233 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0819 -5.8869 1.3584 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.0302 -6.2054 2.8312 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7057 -6.9657 1.2661 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 3 5 1 0 5 6 1 0 6 7 1 0 7 8 2 0 7 9 1 0 9 10 1 0 10 11 1 0 10 12 1 0 10 13 1 6 9 14 1 0 14 15 1 0 14 16 1 0 16 17 2 0 16 18 1 0 18 19 1 0 19 20 1 0 20 21 1 0 20 22 1 0 18 23 1 0 23 24 1 0 24 25 2 0 24 26 1 0 26 27 1 0 27 28 1 0 27 29 1 0 26 30 1 0 30 31 1 0 30 32 1 0 32 33 2 0 32 34 1 0 34 35 1 0 35 36 1 0 35 37 1 0 37 38 1 0 34 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 1 0 45 46 1 0 46 47 1 0 47 48 2 0 47 49 1 0 49 50 1 0 50 51 1 0 51 52 2 0 52 53 1 0 53 54 2 0 54 55 1 0 55 56 2 0 49 57 1 0 57 58 1 0 57 59 1 0 59 60 2 0 59 61 1 0 61 62 1 0 62 63 1 0 63 64 2 0 64 65 1 0 65 66 2 0 66 67 1 0 67 68 2 0 61 69 1 0 69 70 1 0 70 71 2 0 70 72 1 0 72 73 1 0 73 74 1 0 73 75 1 0 72 76 1 0 76 77 1 0 76 78 1 0 78 79 2 0 78 5 1 0 46 42 1 0 56 51 1 0 68 63 1 0 1 80 1 0 1 81 1 0 1 82 1 0 2 83 1 0 2 84 1 0 3 85 1 1 4 86 1 0 4 87 1 0 4 88 1 0 5 89 1 1 9 90 1 6 11 91 1 0 11 92 1 0 11 93 1 0 12 94 1 0 12 95 1 0 12 96 1 0 13 97 1 0 15 98 1 0 15 99 1 0 15100 1 0 18101 1 6 19102 1 0 19103 1 0 20104 1 1 21105 1 0 21106 1 0 21107 1 0 22108 1 0 22109 1 0 22110 1 0 23111 1 0 26112 1 6 27113 1 1 28114 1 0 28115 1 0 28116 1 0 29117 1 0 29118 1 0 29119 1 0 31120 1 0 31121 1 0 31122 1 0 34123 1 6 35124 1 6 36125 1 0 36126 1 0 36127 1 0 37128 1 0 37129 1 0 38130 1 0 38131 1 0 38132 1 0 39133 1 0 42134 1 6 43135 1 0 43136 1 0 44137 1 0 44138 1 0 45139 1 0 45140 1 0 49141 1 6 50142 1 0 50143 1 0 52144 1 0 53145 1 0 54146 1 0 55147 1 0 56148 1 0 58149 1 0 58150 1 0 58151 1 0 61152 1 6 62153 1 0 62154 1 0 64155 1 0 65156 1 0 66157 1 0 67158 1 0 68159 1 0 69160 1 0 72161 1 6 73162 1 6 74163 1 0 74164 1 0 74165 1 0 75166 1 0 75167 1 0 75168 1 0 77169 1 0 77170 1 0 77171 1 0 M END