REMARK Name = BDB026275 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.962 -0.902 1.122 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.115 0.224 0.962 0.00 0.00 +0.056 A ATOM 3 C LIG 1 0.276 0.076 0.954 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.861 -1.191 1.097 0.00 0.00 +0.016 A ATOM 5 C LIG 1 0.013 -2.297 1.242 0.00 0.00 +0.133 A ATOM 6 F LIG 1 0.522 -3.535 1.354 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -1.375 -2.163 1.254 0.00 0.00 +0.064 A ENDROOT BRANCH 1 14 ATOM 8 C LIG 1 -5.349 -2.271 -1.829 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -4.803 -2.162 -0.402 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -5.939 -2.189 0.563 0.00 0.00 -0.300 NA ATOM 11 C LIG 1 -6.305 -3.564 0.905 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -5.638 -1.405 1.782 0.00 0.00 +0.103 C ATOM 13 C LIG 1 -4.140 -1.361 2.152 0.00 0.00 +0.120 C ATOM 14 N LIG 1 -3.362 -0.703 1.079 0.00 0.00 -0.326 N ATOM 15 C LIG 1 -3.923 -0.884 -0.289 0.00 0.00 +0.123 C ENDBRANCH 1 14 BRANCH 4 16 ATOM 16 C LIG 1 2.334 -1.338 1.065 0.00 0.00 -0.024 C ATOM 17 C LIG 1 3.053 -0.708 -0.109 0.00 0.00 +0.146 C ATOM 18 N LIG 1 4.458 -1.096 -0.169 0.00 0.00 -0.263 N ATOM 19 C LIG 1 5.120 -0.849 -1.360 0.00 0.00 +0.403 C ATOM 20 O LIG 1 4.566 -0.493 -2.394 0.00 0.00 -0.226 OA ATOM 21 C LIG 1 5.167 -1.219 1.102 0.00 0.00 +0.115 C ATOM 22 C LIG 1 4.457 -2.180 2.056 0.00 0.00 +0.046 C ATOM 23 C LIG 1 2.969 -2.007 2.046 0.00 0.00 -0.020 C BRANCH 19 24 ATOM 24 O LIG 1 6.467 -1.037 -1.267 0.00 0.00 -0.447 OA BRANCH 24 25 ATOM 25 C LIG 1 7.207 -0.759 -2.476 0.00 0.00 +0.189 C ATOM 26 C LIG 1 8.736 -0.906 -2.351 0.00 0.00 +0.120 C ATOM 27 C LIG 1 8.824 0.621 -2.169 0.00 0.00 +0.256 C ATOM 28 F LIG 1 8.897 1.046 -0.887 0.00 0.00 -0.205 F ATOM 29 F LIG 1 9.829 1.229 -2.837 0.00 0.00 -0.205 F ATOM 30 C LIG 1 7.434 0.728 -2.822 0.00 0.00 +0.120 C ENDBRANCH 24 25 ENDBRANCH 19 24 ENDBRANCH 4 16 BRANCH 2 31 ATOM 31 N LIG 1 -1.773 1.464 0.830 0.00 0.00 -0.280 N ATOM 32 H LIG 1 -2.785 1.368 0.892 0.00 0.00 +0.155 HD ATOM 33 C LIG 1 -1.231 2.690 0.544 0.00 0.00 +0.250 C ATOM 34 O LIG 1 -0.058 2.957 0.317 0.00 0.00 -0.270 OA BRANCH 33 35 ATOM 35 C LIG 1 -2.257 3.770 0.454 0.00 0.00 +0.062 A ATOM 36 C LIG 1 -2.461 4.529 -0.775 0.00 0.00 +0.036 A ATOM 37 C LIG 1 -3.371 5.523 -0.795 0.00 0.00 +0.080 A ATOM 38 C LIG 1 -4.158 5.851 0.421 0.00 0.00 +0.249 A ATOM 39 O LIG 1 -4.983 6.754 0.422 0.00 0.00 -0.268 OA ATOM 40 N LIG 1 -3.899 5.077 1.525 0.00 0.00 -0.328 N ATOM 41 H LIG 1 -4.428 5.313 2.357 0.00 0.00 +0.168 HD ATOM 42 C LIG 1 -2.969 4.066 1.553 0.00 0.00 +0.099 A BRANCH 36 43 ATOM 43 C LIG 1 -1.663 4.142 -1.986 0.00 0.00 +0.372 C ATOM 44 F LIG 1 -1.929 2.853 -2.337 0.00 0.00 -0.204 F ATOM 45 F LIG 1 -2.011 4.893 -3.069 0.00 0.00 -0.204 F ENDBRANCH 36 43 ENDBRANCH 33 35 ENDBRANCH 2 31 TORSDOF 7