RDKit 3D 49 52 0 0 0 0 0 0 0 0999 V2000 -7.8872 -0.4355 1.8223 C 0 0 0 0 0 0 0 0 0 0 0 0 -7.3185 -1.4508 0.8429 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.9226 -1.0862 0.4042 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.8118 -1.5336 1.1301 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.5193 -1.1806 0.7349 C 0 0 0 0 0 0 0 0 0 0 0 0 -3.3201 -0.3790 -0.3948 C 0 0 0 0 0 0 0 0 0 0 0 0 -4.4279 0.0889 -1.1116 C 0 0 0 0 0 0 0 0 0 0 0 0 -5.7205 -0.2651 -0.7128 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.9279 -0.0290 -0.7851 C 0 0 0 0 0 0 0 0 0 0 0 0 -1.6941 0.1946 -2.1202 N 0 0 0 0 0 0 0 0 0 0 0 0 -0.4594 0.5036 -2.6091 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.2592 0.6905 -3.8034 O 0 0 0 0 0 0 0 0 0 0 0 0 0.6121 0.6028 -1.6031 C 0 0 0 0 0 0 0 0 0 0 0 0 0.2772 0.3693 -0.3239 C 0 0 0 0 0 0 0 0 0 0 0 0 -0.9873 0.0426 0.1041 N 0 0 0 0 0 0 0 0 0 0 0 0 1.3212 0.4842 0.7572 C 0 0 0 0 0 0 0 0 0 0 0 0 2.5453 1.2727 0.2892 C 0 0 0 0 0 0 0 0 0 0 0 0 3.0042 0.7339 -1.0217 N 0 0 0 0 0 0 0 0 0 0 0 0 1.9833 0.9464 -2.0951 C 0 0 0 0 0 0 0 0 0 0 0 0 4.5605 1.2367 -1.5104 S 0 0 0 0 0 0 0 0 0 0 0 0 4.8559 0.6312 -2.7900 O 0 0 0 0 0 0 0 0 0 0 0 0 4.6277 2.6699 -1.3178 O 0 0 0 0 0 0 0 0 0 0 0 0 5.6141 0.4556 -0.3115 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4061 1.2325 0.5414 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2243 0.5984 1.4772 C 0 0 0 0 0 0 0 0 0 0 0 0 7.2434 -0.7925 1.5457 C 0 0 0 0 0 0 0 0 0 0 0 0 6.4612 -1.5677 0.6937 C 0 0 0 0 0 0 0 0 0 0 0 0 5.6404 -0.9431 -0.2452 C 0 0 0 0 0 0 0 0 0 0 0 0 8.0294 -1.3953 2.4469 F 0 0 0 0 0 0 0 0 0 0 0 0 -8.8991 -0.7253 2.1227 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9389 0.5627 1.3745 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.2717 -0.3668 2.7256 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.9725 -1.5265 -0.0343 H 0 0 0 0 0 0 0 0 0 0 0 0 -7.3121 -2.4466 1.3029 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.9452 -2.1578 2.0113 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.6686 -1.5375 1.3119 H 0 0 0 0 0 0 0 0 0 0 0 0 -4.3143 0.7541 -1.9623 H 0 0 0 0 0 0 0 0 0 0 0 0 -6.5732 0.1128 -1.2739 H 0 0 0 0 0 0 0 0 0 0 0 0 -2.4157 0.0793 -2.8148 H 0 0 0 0 0 0 0 0 0 0 0 0 0.9003 0.9791 1.6404 H 0 0 0 0 0 0 0 0 0 0 0 0 1.6225 -0.5266 1.0597 H 0 0 0 0 0 0 0 0 0 0 0 0 3.3279 1.1751 1.0473 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2997 2.3375 0.1902 H 0 0 0 0 0 0 0 0 0 0 0 0 2.0000 1.9907 -2.4285 H 0 0 0 0 0 0 0 0 0 0 0 0 2.2363 0.2952 -2.9396 H 0 0 0 0 0 0 0 0 0 0 0 0 6.3943 2.3186 0.4816 H 0 0 0 0 0 0 0 0 0 0 0 0 7.8496 1.1769 2.1506 H 0 0 0 0 0 0 0 0 0 0 0 0 6.5002 -2.6504 0.7649 H 0 0 0 0 0 0 0 0 0 0 0 0 5.0299 -1.5398 -0.9199 H 0 0 0 0 0 0 0 0 0 0 0 0 1 2 1 0 2 3 1 0 3 4 2 0 4 5 1 0 5 6 2 0 6 7 1 0 7 8 2 0 6 9 1 0 9 10 1 0 10 11 1 0 11 12 2 0 11 13 1 0 13 14 2 0 14 15 1 0 14 16 1 0 16 17 1 0 17 18 1 0 18 19 1 0 18 20 1 0 20 21 2 0 20 22 2 0 20 23 1 0 23 24 2 0 24 25 1 0 25 26 2 0 26 27 1 0 27 28 2 0 26 29 1 0 8 3 1 0 15 9 2 0 19 13 1 0 28 23 1 0 1 30 1 0 1 31 1 0 1 32 1 0 2 33 1 0 2 34 1 0 4 35 1 0 5 36 1 0 7 37 1 0 8 38 1 0 10 39 1 0 16 40 1 0 16 41 1 0 17 42 1 0 17 43 1 0 19 44 1 0 19 45 1 0 24 46 1 0 25 47 1 0 27 48 1 0 28 49 1 0 M END