RDKit 3D 149150 0 0 0 0 0 0 0 0999 V2000 11.1770 0.5973 -1.1085 C 0 0 0 0 0 0 0 0 0 0 0 0 10.2686 1.3789 -0.4162 O 0 0 0 0 0 0 0 0 0 0 0 0 9.0170 0.8175 -0.3149 C 0 0 1 0 0 0 0 0 0 0 0 0 8.7465 0.5448 1.1592 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7469 -0.3849 1.7286 C 0 0 0 0 0 0 0 0 0 0 0 0 10.9157 0.1044 2.2722 C 0 0 0 0 0 0 0 0 0 0 0 0 11.8617 -0.7409 2.8082 C 0 0 0 0 0 0 0 0 0 0 0 0 11.6287 -2.0978 2.7979 C 0 0 0 0 0 0 0 0 0 0 0 0 10.4550 -2.5848 2.2522 C 0 0 0 0 0 0 0 0 0 0 0 0 9.4899 -1.7353 1.7058 C 0 0 0 0 0 0 0 0 0 0 0 0 7.9280 1.7074 -0.8718 C 0 0 1 0 0 0 0 0 0 0 0 0 8.2309 1.9504 -2.3329 C 0 0 0 0 0 0 0 0 0 0 0 0 6.5882 1.0692 -0.7451 C 0 0 0 0 0 0 0 0 0 0 0 0 5.5974 1.6282 -0.0575 C 0 0 0 0 0 0 0 0 0 0 0 0 5.8881 2.9301 0.5853 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2931 0.9891 0.0502 C 0 0 0 0 0 0 0 0 0 0 0 0 3.2524 1.4290 0.6883 C 0 0 0 0 0 0 0 0 0 0 0 0 1.9399 0.6717 0.7280 C 0 0 2 0 0 0 0 0 0 0 0 0 2.1288 -0.6601 1.1792 N 0 0 0 0 0 0 0 0 0 0 0 0 1.4636 -1.8402 1.3602 C 0 0 0 0 0 0 0 0 0 0 0 0 1.1719 -2.0819 2.6310 O 0 0 0 0 0 0 0 0 0 0 0 0 0.9731 -2.9529 0.5128 C 0 0 2 0 0 0 0 0 0 0 0 0 0.4516 -2.5741 -0.8324 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.0223 -3.7283 -1.6394 C 0 0 0 0 0 0 0 0 0 0 0 0 1.0753 -4.7075 -1.9009 C 0 0 0 0 0 0 0 0 0 0 0 0 0.7000 -5.8065 -2.7273 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1596 -6.7101 -2.5638 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9738 -6.7829 -1.4097 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.3290 -7.7053 -3.5764 N 0 0 0 0 0 0 0 0 0 0 0 0 0.0866 -3.8372 1.2592 N 0 0 0 0 0 0 0 0 0 0 0 0 -1.2856 -4.0105 1.1808 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6651 -5.2468 1.1983 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.3768 -3.0344 1.0832 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6162 -3.7729 0.5549 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.7810 -2.4523 2.4181 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8314 -3.1942 3.1243 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.7280 -2.5526 3.7119 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8564 -4.5627 3.1572 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.9290 -1.0200 2.4017 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.0178 -0.1800 2.3209 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.1896 0.5882 3.3697 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0464 0.0485 1.2971 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.3192 -0.7227 1.5845 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.4073 -0.4943 0.5643 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.5968 -1.3451 1.0047 C 0 0 0 0 0 0 0 0 0 0 0 0 -8.2743 -2.7501 1.0760 N 0 0 0 0 0 0 0 0 0 0 0 0 -9.1977 -3.5809 1.3811 C 0 0 0 0 0 0 0 0 0 0 0 0 -10.5061 -3.1084 1.6408 N 0 0 0 0 0 0 0 0 0 0 0 0 -8.9565 -4.9730 1.4754 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.6564 -0.1893 -0.0607 N 0 0 0 0 0 0 0 0 0 0 0 0 -4.8703 0.6079 -1.1923 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.2800 0.0654 -2.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.6621 2.0865 -1.2663 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.2277 2.4422 -2.6924 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.8970 2.7771 -1.0148 N 0 0 0 0 0 0 0 0 0 0 0 0 -6.2142 4.1193 -1.1746 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3049 4.4213 -1.8119 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.4795 5.3182 -0.7158 C 0 0 2 0 0 0 0 0 0 0 0 0 -5.5715 6.4669 -1.7010 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.9214 6.5200 -2.1297 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.1978 5.1032 -0.1564 N 0 0 0 0 0 0 0 0 0 0 0 0 -2.9662 5.7391 -0.4078 C 0 0 0 0 0 0 0 0 0 0 0 0 -2.4034 6.4101 0.5517 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.1970 5.7434 -1.6653 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9966 4.8363 -1.6859 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8228 3.9877 -0.4579 C 0 0 2 0 0 0 0 0 0 0 0 0 0.2431 4.5022 0.3668 C 0 0 0 0 0 0 0 0 0 0 0 0 0.9408 3.8179 1.1448 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6002 5.8815 0.3541 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.8464 2.5941 -0.7898 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.1696 1.4670 -0.3358 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.8793 0.6511 0.3597 O 0 0 0 0 0 0 0 0 0 0 0 0 1.2244 1.0165 -0.5037 C 0 0 1 0 0 0 0 0 0 0 0 0 2.0507 2.0380 -1.2759 C 0 0 0 0 0 0 0 0 0 0 0 0 12.1416 1.1499 -1.1122 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2548 -0.4351 -0.7550 H 0 0 0 0 0 0 0 0 0 0 0 0 10.8250 0.6094 -2.1809 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0383 -0.1694 -0.8221 H 0 0 0 0 0 0 0 0 0 0 0 0 8.8172 1.5031 1.7122 H 0 0 0 0 0 0 0 0 0 0 0 0 7.7229 0.1465 1.3079 H 0 0 0 0 0 0 0 0 0 0 0 0 11.0395 1.1915 2.2522 H 0 0 0 0 0 0 0 0 0 0 0 0 12.7777 -0.3227 3.2319 H 0 0 0 0 0 0 0 0 0 0 0 0 12.3570 -2.7951 3.2138 H 0 0 0 0 0 0 0 0 0 0 0 0 10.2473 -3.6527 2.2307 H 0 0 0 0 0 0 0 0 0 0 0 0 8.5690 -2.0951 1.2750 H 0 0 0 0 0 0 0 0 0 0 0 0 7.9556 2.6925 -0.3823 H 0 0 0 0 0 0 0 0 0 0 0 0 9.0668 2.6702 -2.4098 H 0 0 0 0 0 0 0 0 0 0 0 0 7.3303 2.4444 -2.7734 H 0 0 0 0 0 0 0 0 0 0 0 0 8.4381 0.9973 -2.8649 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3582 0.1191 -1.2085 H 0 0 0 0 0 0 0 0 0 0 0 0 6.0913 3.7275 -0.1781 H 0 0 0 0 0 0 0 0 0 0 0 0 6.7551 2.8592 1.2835 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0528 3.3110 1.1963 H 0 0 0 0 0 0 0 0 0 0 0 0 4.1476 0.0211 -0.4598 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3091 2.3552 1.2030 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3564 1.2590 1.5336 H 0 0 0 0 0 0 0 0 0 0 0 0 3.1955 -0.7344 1.5224 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8497 -3.6479 0.2536 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.2252 -1.7056 -0.8427 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3709 -2.1902 -1.4040 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.3037 -3.3086 -2.6532 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.9581 -4.1985 -1.2736 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9050 -4.1536 -2.4188 H 0 0 0 0 0 0 0 0 0 0 0 0 1.4942 -5.1489 -0.9487 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9519 -6.3811 -1.3927 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.6763 -7.2298 -0.5075 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.1813 -8.7056 -3.2455 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.5715 -7.4973 -4.5494 H 0 0 0 0 0 0 0 0 0 0 0 0 0.5771 -4.4612 1.9996 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.1904 -2.2145 0.3945 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4163 -4.8836 0.5091 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.5073 -3.5483 1.1623 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8429 -3.4935 -0.4859 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.8475 -2.6906 3.0720 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6213 -5.1699 2.9083 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.9618 -0.5204 2.4839 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3938 1.1364 1.3022 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.7519 -0.4127 2.5556 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.0860 -1.8047 1.5273 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1336 -0.7232 -0.4671 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.7285 0.5720 0.7129 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.9662 -1.0348 1.9984 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4650 -1.1673 0.3021 H 0 0 0 0 0 0 0 0 0 0 0 0 -10.6855 -2.7411 2.6107 H 0 0 0 0 0 0 0 0 0 0 0 0 -11.2726 -3.1131 0.9251 H 0 0 0 0 0 0 0 0 0 0 0 0 -9.4130 -5.6090 0.7920 H 0 0 0 0 0 0 0 0 0 0 0 0 -8.3428 -5.3949 2.1994 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1385 -1.0982 -0.2316 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8175 2.3772 -0.6317 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.9321 3.5075 -2.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.1115 2.3331 -3.3637 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4535 1.7578 -3.0590 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6943 2.1594 -0.6538 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.1207 5.6883 0.1678 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3565 7.3989 -1.1800 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0087 6.2948 -2.6359 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.4705 7.0563 -1.5149 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.1542 4.3452 0.6011 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7774 5.5776 -2.5768 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7847 6.7979 -1.7852 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.0622 4.1497 -2.5817 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.0386 5.4006 -1.8420 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7962 4.2234 0.1467 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3230 6.1597 -0.3277 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5945 2.4385 -1.5798 H 0 0 0 0 0 0 0 0 0 0 0 0 1.2779 0.1080 -1.1860 H 0 0 0 0 0 0 0 0 0 0 0 0 1.3200 2.6481 -1.8843 H 0 0 0 0 0 0 0 0 0 0 0 0 2.6091 2.7380 -0.6663 H 0 0 0 0 0 0 0 0 0 0 0 0 2.7265 1.5806 -2.0255 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 2 0 6 7 1 0 7 8 2 0 8 9 1 0 9 10 2 0 3 11 1 0 11 12 1 0 11 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 2 0 17 18 1 0 18 19 1 0 19 20 1 0 20 21 2 0 20 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 25 26 1 0 26 27 2 3 27 28 1 0 27 29 1 0 22 30 1 0 30 31 1 0 31 32 2 0 31 33 1 0 33 34 1 0 33 35 1 0 35 36 1 0 36 37 2 0 36 38 1 0 35 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 2 3 47 48 1 0 47 49 1 0 42 50 1 0 50 51 1 0 51 52 2 0 51 53 1 0 53 54 1 0 53 55 1 0 55 56 1 0 56 57 2 0 56 58 1 0 58 59 1 0 59 60 1 0 58 61 1 0 61 62 1 0 62 63 2 0 62 64 1 0 64 65 1 0 65 66 1 0 66 67 1 0 67 68 2 0 67 69 1 0 66 70 1 0 70 71 1 0 71 72 2 0 71 73 1 0 73 74 1 0 10 5 1 0 73 18 1 0 1 75 1 0 1 76 1 0 1 77 1 0 3 78 1 6 4 79 1 0 4 80 1 0 6 81 1 0 7 82 1 0 8 83 1 0 9 84 1 0 10 85 1 0 11 86 1 1 12 87 1 0 12 88 1 0 12 89 1 0 13 90 1 0 15 91 1 0 15 92 1 0 15 93 1 0 16 94 1 0 17 95 1 0 18 96 1 1 19 97 1 0 22 98 1 6 23 99 1 0 23100 1 0 24101 1 0 24102 1 0 25103 1 0 25104 1 0 28105 1 0 28106 1 0 29107 1 0 29108 1 0 30109 1 0 33110 1 6 34111 1 0 34112 1 0 34113 1 0 35114 1 1 38115 1 0 39116 1 0 42117 1 6 43118 1 0 43119 1 0 44120 1 0 44121 1 0 45122 1 0 45123 1 0 48124 1 0 48125 1 0 49126 1 0 49127 1 0 50128 1 0 53129 1 1 54130 1 0 54131 1 0 54132 1 0 55133 1 0 58134 1 1 59135 1 0 59136 1 0 60137 1 0 61138 1 0 64139 1 0 64140 1 0 65141 1 0 65142 1 0 66143 1 1 69144 1 0 70145 1 0 73146 1 6 74147 1 0 74148 1 0 74149 1 0 M END