RDKit 3D 108115 0 0 0 0 0 0 0 0999 V2000 1.7877 -2.9142 3.2848 C 0 0 0 0 0 0 0 0 0 0 0 0 2.8770 -3.2245 2.4597 O 0 0 0 0 0 0 0 0 0 0 0 0 3.3308 -2.4031 1.4366 C 0 0 0 0 0 0 0 0 0 0 0 0 2.7572 -1.2043 1.1194 C 0 0 0 0 0 0 0 0 0 0 0 0 3.1822 -0.3513 0.1031 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5895 0.8639 -0.1332 C 0 0 0 0 0 0 0 0 0 0 0 0 1.4995 1.2494 0.5767 O 0 0 0 0 0 0 0 0 0 0 0 0 0.1516 1.2785 0.1721 C 0 0 2 0 0 0 0 0 0 0 0 0 -0.6064 1.7667 1.1958 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8096 2.2658 0.6270 C 0 0 2 0 0 0 0 0 0 0 0 0 -2.4697 3.0151 1.7517 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.6274 3.6663 1.4742 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.5165 4.7326 0.5759 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.8408 5.8962 1.2823 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.8144 6.9791 0.4384 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.1113 6.8742 -0.3824 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1620 6.6405 0.5055 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.9308 5.7203 -1.2994 C 0 0 2 0 0 0 0 0 0 0 0 0 -6.1914 5.4002 -1.8468 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.3834 4.5271 -0.6042 C 0 0 1 0 0 0 0 0 0 0 0 0 -3.6489 3.8164 -1.5884 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5976 1.1021 0.1263 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.9031 0.9919 0.6438 O 0 0 0 0 0 0 0 0 0 0 0 0 -5.0498 0.9949 -0.0745 C 0 0 0 0 0 0 0 0 0 0 0 0 -6.4183 0.8829 0.4873 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.9474 1.1003 -1.3068 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.8808 -0.2258 0.1472 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.9737 -0.9532 1.2988 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.6127 -2.1810 1.1423 C 0 0 2 0 0 0 0 0 0 0 0 0 -3.7504 -2.2276 1.8599 O 0 0 0 0 0 0 0 0 0 0 0 0 -4.2320 -3.3763 2.3626 C 0 0 2 0 0 0 0 0 0 0 0 0 -4.1215 -3.4457 3.8951 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.6283 -4.6411 4.3567 O 0 0 0 0 0 0 0 0 0 0 0 0 -3.7769 -4.6707 1.8087 C 0 0 1 0 0 0 0 0 0 0 0 0 -4.7954 -5.3948 1.1519 O 0 0 0 0 0 0 0 0 0 0 0 0 -2.5760 -4.5752 0.9006 C 0 0 2 0 0 0 0 0 0 0 0 0 -1.8175 -5.7178 0.8735 O 0 0 0 0 0 0 0 0 0 0 0 0 -1.7460 -3.3653 1.3738 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.6042 -3.4074 0.5899 O 0 0 0 0 0 0 0 0 0 0 0 0 -0.4319 -0.0698 -0.2268 C 0 0 1 0 0 0 0 0 0 0 0 0 -0.2563 -0.2740 -1.6165 O 0 0 0 0 0 0 0 0 0 0 0 0 3.1106 1.6919 -1.1249 C 0 0 0 0 0 0 0 0 0 0 0 0 4.2038 1.2640 -1.8466 C 0 0 0 0 0 0 0 0 0 0 0 0 4.7954 0.0292 -1.6067 C 0 0 0 0 0 0 0 0 0 0 0 0 5.9371 -0.4674 -2.3712 C 0 0 0 0 0 0 0 0 0 0 0 0 5.7575 -1.3064 -3.4590 C 0 0 0 0 0 0 0 0 0 0 0 0 6.7989 -1.7989 -4.1896 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0914 -1.4469 -3.8302 C 0 0 0 0 0 0 0 0 0 0 0 0 8.3191 -0.6154 -2.7562 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2306 -0.1342 -2.0372 C 0 0 0 0 0 0 0 0 0 0 0 0 9.7059 -0.4439 -2.6419 O 0 0 0 0 0 0 0 0 0 0 0 0 10.2934 -1.5193 -3.3781 C 0 0 0 0 0 0 0 0 0 0 0 0 9.3164 -1.7970 -4.3875 O 0 0 0 0 0 0 0 0 0 0 0 0 4.2890 -0.7936 -0.6245 C 0 0 0 0 0 0 0 0 0 0 0 0 4.8879 -1.9974 -0.3294 C 0 0 0 0 0 0 0 0 0 0 0 0 4.4292 -2.8088 0.6860 C 0 0 0 0 0 0 0 0 0 0 0 0 4.9949 -4.0235 1.0201 O 0 0 0 0 0 0 0 0 0 0 0 0 6.0977 -4.5257 0.3309 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5325 2.3096 -2.7989 C 0 0 0 0 0 0 0 0 0 0 0 0 5.4856 2.2404 -3.6187 O 0 0 0 0 0 0 0 0 0 0 0 0 3.6460 3.3476 -2.6459 O 0 0 0 0 0 0 0 0 0 0 0 0 2.7304 3.0416 -1.6229 C 0 0 0 0 0 0 0 0 0 0 0 0 0.8126 -3.2238 2.9020 H 0 0 0 0 0 0 0 0 0 0 0 0 1.8779 -3.4024 4.2937 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7170 -1.8198 3.5256 H 0 0 0 0 0 0 0 0 0 0 0 0 1.9082 -0.8963 1.7396 H 0 0 0 0 0 0 0 0 0 0 0 0 0.0512 1.8630 -0.7914 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.4923 3.0022 -0.1232 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7279 3.8259 2.0341 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.5158 2.4008 2.6918 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4298 4.7582 0.2837 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9602 6.9959 -0.2597 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.8838 7.9353 0.9679 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2927 7.8231 -0.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.9143 7.0182 1.3741 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3101 6.0263 -2.1840 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.2566 4.4159 -1.8881 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.2585 3.8658 -0.3508 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4043 4.4113 -2.3482 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.7602 1.2768 -0.9595 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.6812 -0.2125 0.3812 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.4138 1.0605 1.5860 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.1494 1.5361 0.0144 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.3462 -0.8377 -0.6891 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.8918 -2.2210 0.0429 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.3645 -3.3505 2.1750 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.0636 -3.3661 4.2128 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.6752 -2.5969 4.3489 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.0890 -4.5906 5.2228 H 0 0 0 0 0 0 0 0 0 0 0 0 -3.4644 -5.3388 2.6421 H 0 0 0 0 0 0 0 0 0 0 0 0 -5.6698 -5.0564 1.3981 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.9146 -4.3453 -0.1268 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.7596 -6.1017 -0.0428 H 0 0 0 0 0 0 0 0 0 0 0 0 -1.5105 -3.5953 2.4313 H 0 0 0 0 0 0 0 0 0 0 0 0 -0.4477 -4.3075 0.2135 H 0 0 0 0 0 0 0 0 0 0 0 0 0.1924 -0.8459 0.2357 H 0 0 0 0 0 0 0 0 0 0 0 0 0.4735 -0.8763 -1.8192 H 0 0 0 0 0 0 0 0 0 0 0 0 4.7500 -1.5877 -3.7486 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6839 -2.4564 -5.0450 H 0 0 0 0 0 0 0 0 0 0 0 0 7.4058 0.5059 -1.2089 H 0 0 0 0 0 0 0 0 0 0 0 0 10.4337 -2.4178 -2.7460 H 0 0 0 0 0 0 0 0 0 0 0 0 11.2212 -1.1573 -3.8488 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7361 -2.3070 -0.9115 H 0 0 0 0 0 0 0 0 0 0 0 0 6.6419 -5.2181 1.0345 H 0 0 0 0 0 0 0 0 0 0 0 0 5.7558 -5.1082 -0.5671 H 0 0 0 0 0 0 0 0 0 0 0 0 6.8275 -3.7413 0.0478 H 0 0 0 0 0 0 0 0 0 0 0 0 2.8477 3.8198 -0.8389 H 0 0 0 0 0 0 0 0 0 0 0 0 1.7155 3.0507 -2.0724 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 56 2 0 56 57 1 0 57 58 1 0 56 55 1 0 55 54 2 0 54 5 1 0 5 4 2 0 5 6 1 0 6 7 1 0 7 8 1 0 8 9 1 0 9 10 1 0 10 11 1 0 11 12 1 0 12 13 1 0 13 14 1 0 14 15 1 0 15 16 1 0 16 17 1 0 16 18 1 0 18 19 1 0 18 20 1 0 20 21 1 0 10 22 1 0 22 23 1 0 23 24 1 0 24 25 1 0 24 26 2 0 22 27 1 0 27 28 1 0 28 29 1 0 29 30 1 0 30 31 1 0 31 32 1 0 32 33 1 0 31 34 1 0 34 35 1 0 34 36 1 0 36 37 1 0 36 38 1 0 38 39 1 0 27 40 1 0 40 41 1 0 6 42 2 0 42 62 1 0 62 61 1 0 61 59 1 0 59 60 2 0 59 43 1 0 43 44 2 0 44 45 1 0 45 46 2 0 46 47 1 0 47 48 2 0 48 53 1 0 53 52 1 0 52 51 1 0 51 49 1 0 49 50 2 0 4 3 1 0 40 8 1 0 43 42 1 0 50 45 1 0 44 54 1 0 49 48 1 0 20 13 1 0 38 29 1 0 1 63 1 0 1 64 1 0 1 65 1 0 58104 1 0 58105 1 0 58106 1 0 55103 1 0 4 66 1 0 8 67 1 6 10 68 1 6 11 69 1 0 11 70 1 0 13 71 1 6 15 72 1 0 15 73 1 0 16 74 1 6 17 75 1 0 18 76 1 6 19 77 1 0 20 78 1 1 21 79 1 0 22 80 1 6 25 81 1 0 25 82 1 0 25 83 1 0 27 84 1 6 29 85 1 6 31 86 1 1 32 87 1 0 32 88 1 0 33 89 1 0 34 90 1 1 35 91 1 0 36 92 1 6 37 93 1 0 38 94 1 1 39 95 1 0 40 96 1 1 41 97 1 0 62107 1 0 62108 1 0 46 98 1 0 47 99 1 0 52101 1 0 52102 1 0 50100 1 0 M END