REMARK Name = BDB026300 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -1.912 -0.539 -0.481 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -1.553 0.837 -0.509 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -0.228 1.225 -0.728 0.00 0.00 +0.036 A ATOM 4 C LIG 1 0.768 0.261 -0.925 0.00 0.00 +0.015 A ATOM 5 C LIG 1 0.408 -1.089 -0.907 0.00 0.00 +0.133 A ATOM 6 F LIG 1 1.338 -2.040 -1.087 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -0.909 -1.488 -0.689 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -3.815 -2.742 3.066 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -3.442 -2.624 1.579 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -4.280 -3.504 0.707 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -4.138 -4.917 1.083 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -3.917 -3.287 -0.727 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -4.860 -4.045 -1.680 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -3.938 -1.790 -1.159 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -3.254 -0.874 -0.231 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -3.569 -1.126 1.188 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 2.166 0.675 -1.155 0.00 0.00 -0.040 C ATOM 18 C LIG 1 2.901 1.175 0.071 0.00 0.00 +0.054 C ATOM 19 C LIG 1 4.123 2.055 -0.206 0.00 0.00 +0.116 C ATOM 20 N LIG 1 5.273 1.294 -0.686 0.00 0.00 -0.267 N ATOM 21 C LIG 1 6.322 1.055 0.191 0.00 0.00 +0.403 C ATOM 22 O LIG 1 6.413 1.535 1.314 0.00 0.00 -0.226 OA ATOM 23 C LIG 1 5.155 0.529 -1.926 0.00 0.00 +0.115 C ATOM 24 C LIG 1 4.031 0.945 -2.881 0.00 0.00 +0.046 C ATOM 25 C LIG 1 2.636 0.624 -2.416 0.00 0.00 -0.021 C BRANCH 21 26 ATOM 26 O LIG 1 7.257 0.210 -0.333 0.00 0.00 -0.447 OA BRANCH 26 27 ATOM 27 C LIG 1 8.377 -0.070 0.531 0.00 0.00 +0.189 C ATOM 28 C LIG 1 8.122 -1.030 1.715 0.00 0.00 +0.120 C ATOM 29 C LIG 1 9.505 -1.647 1.431 0.00 0.00 +0.256 C ATOM 30 F LIG 1 10.531 -1.120 2.138 0.00 0.00 -0.205 F ATOM 31 F LIG 1 9.589 -2.989 1.562 0.00 0.00 -0.205 F ATOM 32 C LIG 1 9.368 -1.122 -0.011 0.00 0.00 +0.120 C ENDBRANCH 26 27 ENDBRANCH 21 26 ENDBRANCH 4 17 BRANCH 2 33 ATOM 33 N LIG 1 -2.615 1.752 -0.331 0.00 0.00 -0.280 N ATOM 34 H LIG 1 -3.507 1.281 -0.190 0.00 0.00 +0.155 HD ATOM 35 C LIG 1 -2.576 3.122 -0.390 0.00 0.00 +0.250 C ATOM 36 O LIG 1 -1.602 3.834 -0.603 0.00 0.00 -0.270 OA BRANCH 35 37 ATOM 37 C LIG 1 -3.926 3.744 -0.251 0.00 0.00 +0.062 A ATOM 38 C LIG 1 -4.725 3.724 0.970 0.00 0.00 +0.036 A ATOM 39 C LIG 1 -5.927 4.335 0.979 0.00 0.00 +0.080 A ATOM 40 C LIG 1 -6.440 5.019 -0.235 0.00 0.00 +0.249 A ATOM 41 O LIG 1 -7.537 5.561 -0.238 0.00 0.00 -0.268 OA ATOM 42 N LIG 1 -5.608 5.000 -1.326 0.00 0.00 -0.328 N ATOM 43 H LIG 1 -5.946 5.482 -2.151 0.00 0.00 +0.168 HD ATOM 44 C LIG 1 -4.379 4.387 -1.339 0.00 0.00 +0.099 A BRANCH 38 45 ATOM 45 C LIG 1 -4.181 3.059 2.196 0.00 0.00 +0.372 C ATOM 46 F LIG 1 -2.894 3.414 2.441 0.00 0.00 -0.204 F ATOM 47 F LIG 1 -4.194 1.708 2.050 0.00 0.00 -0.204 F ENDBRANCH 38 45 ENDBRANCH 35 37 ENDBRANCH 2 33 TORSDOF 7