RDKit 3D 161161 0 0 0 0 0 0 0 0999 V2000 5.0910 5.0150 -1.5661 C 0 0 0 0 0 0 0 0 0 0 0 0 5.3053 3.7888 -0.7152 C 0 0 0 0 0 0 0 0 0 0 0 0 4.3485 3.7313 0.4430 C 0 0 1 0 0 0 0 0 0 0 0 0 4.5600 4.9646 1.2924 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8897 3.7201 -0.0382 C 0 0 2 0 0 0 0 0 0 0 0 0 2.0041 3.6702 1.0904 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7159 3.2152 1.2366 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5055 2.2965 2.1178 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.5370 3.6200 0.5186 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.1900 4.6540 1.4396 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.3007 5.8422 1.6816 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.0373 6.8178 2.6074 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0002 6.6261 0.4263 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.4214 2.4642 0.3937 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.3415 2.1148 -0.5665 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.1129 1.0127 -1.2083 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5798 2.8186 -0.9887 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.3402 4.0866 -1.7459 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6353 4.7078 -2.1209 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.6962 4.1712 -1.7452 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6507 5.8874 -2.8937 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.5234 2.9726 0.0998 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.1710 1.9250 0.7693 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1497 1.8954 2.0457 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9117 0.7995 0.1159 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.4138 0.9958 0.3005 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.7358 1.0251 1.7907 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8890 2.2976 -0.2668 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.5654 -0.4170 0.8239 N 0 0 0 0 0 0 0 0 0 0 0 0 -5.9389 -1.7223 0.3409 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.2963 -2.5236 1.2539 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.9191 -2.1178 -1.0874 C 0 0 2 0 0 0 0 0 0 0 0 0 -7.2445 -2.6027 -1.5793 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.8622 -3.7658 -0.9150 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.0868 -5.0582 -0.9677 C 0 0 0 0 0 0 0 0 0 0 0 0 -9.2180 -4.0924 -1.5683 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7602 -2.8209 -1.5351 N 0 0 0 0 0 0 0 0 0 0 0 0 -3.9747 -3.8442 -1.0462 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.8863 -4.8764 -1.8388 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.2085 -4.0056 0.1942 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7477 -5.0522 1.1548 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.7807 -6.4214 0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.3368 -7.3464 1.6804 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.3406 -6.8562 0.3079 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.8673 -2.8221 0.9179 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.7872 -1.9836 0.8237 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.8654 -0.8028 1.3066 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4279 -2.2826 0.1922 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2800 -3.0538 1.2453 C 0 0 0 0 0 0 0 0 0 0 0 0 1.6720 -3.5149 0.9321 C 0 0 0 0 0 0 0 0 0 0 0 0 1.7992 -4.3834 -0.2349 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0501 -4.8727 -0.6979 N 0 0 0 0 0 0 0 0 0 0 0 0 0.7831 -4.7311 -0.8767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1365 -1.0293 -0.2102 N 0 0 0 0 0 0 0 0 0 0 0 0 1.0260 -0.6226 -1.1825 C 0 0 0 0 0 0 0 0 0 0 0 0 0.5388 -0.0165 -2.2350 O 0 0 0 0 0 0 0 0 0 0 0 0 2.5024 -0.7470 -1.2538 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1551 0.3305 -0.3584 C 0 0 1 0 0 0 0 0 0 0 0 0 4.4141 -0.2990 0.1950 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4092 -0.7119 -0.8320 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5820 -1.3664 -0.1765 C 0 0 0 0 0 0 0 0 0 0 0 0 7.3087 -0.5285 0.8227 C 0 0 0 0 0 0 0 0 0 0 0 0 7.8911 0.7314 0.3403 C 0 0 0 0 0 0 0 0 0 0 0 0 8.9014 0.7767 -0.7174 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2171 0.1676 -0.5267 C 0 0 0 0 0 0 0 0 0 0 0 0 10.3901 -1.2759 -0.3194 C 0 0 0 0 0 0 0 0 0 0 0 0 11.9205 -1.5170 -0.1738 C 0 0 0 0 0 0 0 0 0 0 0 0 10.0062 -2.0891 -1.5554 C 0 0 0 0 0 0 0 0 0 0 0 0 3.3312 1.5056 -1.0588 O 0 0 0 0 0 0 0 0 0 0 0 0 2.6892 2.7025 -1.0738 C 0 0 0 0 0 0 0 0 0 0 0 0 1.8809 2.9840 -2.0045 O 0 0 0 0 0 0 0 0 0 0 0 0 5.1740 5.9530 -0.9902 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1417 4.9095 -2.1027 H 0 0 0 0 0 0 0 0 0 0 0 0 5.8880 5.0367 -2.3395 H 0 0 0 0 0 0 0 0 0 0 0 0 5.2495 2.9107 -1.3830 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3352 3.7869 -0.2767 H 0 0 0 0 0 0 0 0 0 0 0 0 4.5228 2.8721 1.0856 H 0 0 0 0 0 0 0 0 0 0 0 0 4.4185 4.7307 2.3843 H 0 0 0 0 0 0 0 0 0 0 0 0 5.6574 5.2370 1.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 3.9518 5.8220 0.9794 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7706 4.7713 -0.4612 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4603 4.0728 1.9883 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2648 4.1121 -0.3921 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1475 4.9994 1.0655 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.3880 4.1707 2.4332 H 0 0 0 0 0 0 0 0 0 0 0 0 0.6010 5.5484 2.2195 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6377 7.8254 2.4509 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9924 6.4713 3.6449 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1206 6.8687 2.3348 H 0 0 0 0 0 0 0 0 0 0 0 0 0.8493 6.1323 -0.0903 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4076 7.6412 0.7206 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.8827 6.7526 -0.2151 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.2999 1.7907 1.2226 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1538 2.1606 -1.7226 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8268 3.8835 -2.7355 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6977 4.8095 -1.2419 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.0272 6.6490 -2.6401 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7436 3.9635 0.4182 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6040 0.8194 -0.9339 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9507 0.1526 -0.1390 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.8373 0.9237 1.9104 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1805 0.2085 2.2578 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4770 2.0069 2.2339 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9899 2.3453 -0.1302 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.6659 2.3287 -1.3594 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4150 3.1538 0.2908 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0239 -0.3592 1.7241 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 -1.0483 -1.6002 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1619 -2.7658 -2.7010 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.0225 -1.7768 -1.5466 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.1562 -3.5215 0.1465 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5861 -5.2113 -1.9406 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.3281 -5.1368 -0.1772 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.8069 -5.9456 -0.9058 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8143 -4.7745 -0.9298 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.8178 -3.1907 -1.7610 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.0215 -4.5757 -2.5524 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.4149 -2.4532 -2.5237 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1659 -4.4449 -0.0583 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.7382 -4.7184 1.5086 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0331 -5.0296 2.0231 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3832 -6.5092 -0.3218 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.7766 -8.3249 1.6152 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1595 -6.8730 2.6485 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.4337 -7.4988 1.4888 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.6223 -6.1999 0.8416 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1443 -6.7204 -0.7801 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1753 -7.8889 0.6452 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.5885 -2.5595 1.6797 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6858 -2.9856 -0.6213 H 0 0 0 0 0 0 0 0 0 0 0 0 0.3568 -2.5046 2.2188 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2966 -3.9793 1.5438 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4066 -2.6880 0.9261 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0645 -4.1614 1.8055 H 0 0 0 0 0 0 0 0 0 0 0 0 3.4442 -4.6455 -1.6467 H 0 0 0 0 0 0 0 0 0 0 0 0 3.5639 -5.4914 -0.0154 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2557 -0.1854 0.3832 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8872 -0.4832 -2.2715 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8989 -1.7502 -1.0684 H 0 0 0 0 0 0 0 0 0 0 0 0 2.4112 0.4221 0.4932 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1993 -1.0736 0.9446 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9172 0.5281 0.7936 H 0 0 0 0 0 0 0 0 0 0 0 0 4.9658 -1.4046 -1.5742 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7720 0.1614 -1.4520 H 0 0 0 0 0 0 0 0 0 0 0 0 7.2304 -1.8146 -0.9459 H 0 0 0 0 0 0 0 0 0 0 0 0 6.1552 -2.2374 0.4142 H 0 0 0 0 0 0 0 0 0 0 0 0 8.0119 -1.1684 1.3817 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5241 -0.2241 1.5998 H 0 0 0 0 0 0 0 0 0 0 0 0 8.3505 1.2282 1.2738 H 0 0 0 0 0 0 0 0 0 0 0 0 7.0472 1.4695 0.1270 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0879 1.8894 -0.9468 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4222 0.4529 -1.7063 H 0 0 0 0 0 0 0 0 0 0 0 0 10.6666 0.6693 0.4065 H 0 0 0 0 0 0 0 0 0 0 0 0 10.9488 0.5463 -1.3323 H 0 0 0 0 0 0 0 0 0 0 0 0 9.9518 -1.6323 0.6026 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3786 -0.9638 -1.0181 H 0 0 0 0 0 0 0 0 0 0 0 0 12.2901 -1.0302 0.7515 H 0 0 0 0 0 0 0 0 0 0 0 0 12.1370 -2.5861 -0.1847 H 0 0 0 0 0 0 0 0 0 0 0 0 9.2837 -1.5055 -2.1917 H 0 0 0 0 0 0 0 0 0 0 0 0 9.5667 -3.0447 -1.2227 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8921 -2.2619 -2.2182 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 11 12 1 0 11 13 1 0 9 14 1 0 14 15 1 0 15 16 2 0 15 17 1 0 17 18 1 0 18 19 1 0 19 21 1 0 19 20 2 0 17 22 1 0 22 23 1 0 23 24 2 0 23 25 1 0 25 29 1 0 29 30 1 0 30 31 2 0 30 32 1 0 32 33 1 0 33 34 1 0 34 35 1 0 34 36 1 0 32 37 1 0 37 38 1 0 38 39 2 0 38 40 1 0 40 41 1 0 41 42 1 0 42 43 1 0 42 44 1 0 40 45 1 0 45 46 1 0 46 47 2 0 46 48 1 0 48 49 1 0 49 50 1 0 50 51 1 0 51 52 1 0 51 53 2 0 48 54 1 0 54 55 1 0 55 56 2 0 55 57 1 0 57 58 1 0 58 59 1 0 59 60 1 0 60 61 1 0 61 62 1 0 62 63 1 0 63 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 66 68 1 0 58 69 1 0 69 70 1 0 70 71 2 0 25 26 1 0 26 27 1 0 26 28 1 0 70 5 1 0 1 72 1 0 1 73 1 0 1 74 1 0 2 75 1 0 2 76 1 0 3 77 1 1 4 78 1 0 4 79 1 0 4 80 1 0 5 81 1 6 6 82 1 0 9 83 1 6 10 84 1 0 10 85 1 0 11 86 1 0 12 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 13 91 1 0 13 92 1 0 14 93 1 0 17 94 1 6 18 95 1 0 18 96 1 0 21 97 1 0 22 98 1 0 25 99 1 6 29107 1 0 32108 1 6 33109 1 0 33110 1 0 34111 1 0 35112 1 0 35113 1 0 35114 1 0 36115 1 0 36116 1 0 36117 1 0 37118 1 0 40119 1 6 41120 1 0 41121 1 0 42122 1 0 43123 1 0 43124 1 0 43125 1 0 44126 1 0 44127 1 0 44128 1 0 45129 1 0 48130 1 6 49131 1 0 49132 1 0 50133 1 0 50134 1 0 52135 1 0 52136 1 0 54137 1 0 57138 1 0 57139 1 0 58140 1 1 59141 1 0 59142 1 0 60143 1 0 60144 1 0 61145 1 0 61146 1 0 62147 1 0 62148 1 0 63149 1 0 63150 1 0 64151 1 0 64152 1 0 65153 1 0 65154 1 0 66155 1 0 67156 1 0 67157 1 0 67158 1 0 68159 1 0 68160 1 0 68161 1 0 26100 1 0 27101 1 0 27102 1 0 27103 1 0 28104 1 0 28105 1 0 28106 1 0 M END