REMARK Name = BDB026240 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 -3.009 -1.056 0.358 0.00 0.00 +0.054 A ATOM 2 C LIG 1 -2.506 0.224 0.014 0.00 0.00 +0.056 A ATOM 3 C LIG 1 -1.166 0.388 -0.349 0.00 0.00 +0.036 A ATOM 4 C LIG 1 -0.290 -0.711 -0.381 0.00 0.00 +0.022 A ATOM 5 C LIG 1 -0.807 -1.970 -0.046 0.00 0.00 +0.133 A ATOM 6 F LIG 1 -0.018 -3.055 -0.097 0.00 0.00 -0.205 F ATOM 7 C LIG 1 -2.141 -2.149 0.317 0.00 0.00 +0.064 A ENDROOT BRANCH 1 15 ATOM 8 C LIG 1 -6.774 -0.607 2.504 0.00 0.00 +0.026 C ATOM 9 C LIG 1 -6.190 -1.991 2.196 0.00 0.00 +0.071 C ATOM 10 N LIG 1 -6.978 -2.573 1.073 0.00 0.00 -0.297 NA ATOM 11 C LIG 1 -7.659 -3.796 1.504 0.00 0.00 +0.105 C ATOM 12 C LIG 1 -6.153 -2.783 -0.146 0.00 0.00 +0.071 C ATOM 13 C LIG 1 -7.036 -3.035 -1.376 0.00 0.00 +0.026 C ATOM 14 C LIG 1 -5.225 -1.570 -0.459 0.00 0.00 +0.123 C ATOM 15 N LIG 1 -4.376 -1.175 0.695 0.00 0.00 -0.325 N ATOM 16 C LIG 1 -4.660 -1.904 1.944 0.00 0.00 +0.123 C ENDBRANCH 1 15 BRANCH 4 17 ATOM 17 C LIG 1 1.120 -0.540 -0.763 0.00 0.00 +0.023 A ATOM 18 C LIG 1 2.163 -0.922 0.093 0.00 0.00 +0.167 A ATOM 19 F LIG 1 1.884 -1.433 1.303 0.00 0.00 -0.202 F ATOM 20 C LIG 1 3.501 -0.767 -0.272 0.00 0.00 +0.171 A ATOM 21 F LIG 1 4.449 -1.161 0.595 0.00 0.00 -0.202 F ATOM 22 C LIG 1 3.841 -0.221 -1.507 0.00 0.00 +0.075 A ATOM 23 C LIG 1 2.810 0.171 -2.374 0.00 0.00 +0.017 A ATOM 24 C LIG 1 1.467 0.015 -2.005 0.00 0.00 +0.012 A BRANCH 22 25 ATOM 25 C LIG 1 5.251 -0.033 -1.956 0.00 0.00 +0.247 C ATOM 26 N LIG 1 6.248 -0.287 -1.038 0.00 0.00 -0.306 N ATOM 27 H LIG 1 5.970 -0.717 -0.163 0.00 0.00 +0.150 HD ATOM 28 O LIG 1 5.461 0.336 -3.107 0.00 0.00 -0.270 OA BRANCH 26 29 ATOM 29 C LIG 1 7.695 -0.254 -1.316 0.00 0.00 +0.030 C ATOM 30 C LIG 1 8.035 -1.415 -2.280 0.00 0.00 +0.031 C ATOM 31 C LIG 1 8.122 1.063 -1.980 0.00 0.00 +0.031 C BRANCH 29 32 ATOM 32 C LIG 1 8.481 -0.520 0.011 0.00 0.00 +0.031 C BRANCH 32 33 ATOM 33 C LIG 1 8.522 0.522 1.177 0.00 0.00 -0.036 C ATOM 34 C LIG 1 9.080 -0.211 2.421 0.00 0.00 +0.010 C ATOM 35 C LIG 1 7.143 1.085 1.545 0.00 0.00 +0.010 C ATOM 36 C LIG 1 9.483 1.688 0.878 0.00 0.00 +0.010 C ENDBRANCH 32 33 ENDBRANCH 29 32 ENDBRANCH 26 29 ENDBRANCH 22 25 ENDBRANCH 4 17 BRANCH 2 37 ATOM 37 N LIG 1 -3.439 1.279 0.081 0.00 0.00 -0.280 N ATOM 38 H LIG 1 -4.357 0.955 0.384 0.00 0.00 +0.155 HD ATOM 39 C LIG 1 -3.244 2.608 -0.192 0.00 0.00 +0.250 C ATOM 40 O LIG 1 -2.210 3.165 -0.532 0.00 0.00 -0.270 OA BRANCH 39 41 ATOM 41 C LIG 1 -4.489 3.402 -0.008 0.00 0.00 +0.065 A ATOM 42 C LIG 1 -5.557 3.455 -0.999 0.00 0.00 +0.073 A ATOM 43 C LIG 1 -6.654 4.194 -0.742 0.00 0.00 +0.083 A ATOM 44 C LIG 1 -6.778 4.948 0.530 0.00 0.00 +0.249 A ATOM 45 O LIG 1 -7.774 5.614 0.779 0.00 0.00 -0.268 OA ATOM 46 N LIG 1 -5.713 4.846 1.390 0.00 0.00 -0.328 N ATOM 47 H LIG 1 -5.790 5.373 2.253 0.00 0.00 +0.168 HD ATOM 48 C LIG 1 -4.590 4.097 1.135 0.00 0.00 +0.099 A BRANCH 42 49 ATOM 49 C LIG 1 -5.383 2.702 -2.281 0.00 0.00 +0.418 C ATOM 50 F LIG 1 -6.409 2.916 -3.147 0.00 0.00 -0.166 F ATOM 51 F LIG 1 -4.249 3.045 -2.938 0.00 0.00 -0.166 F ATOM 52 F LIG 1 -5.340 1.362 -2.073 0.00 0.00 -0.166 F ENDBRANCH 42 49 ENDBRANCH 39 41 ENDBRANCH 2 37 TORSDOF 9