REMARK Name = BDB009424 REMARK x y z vdW Elec q Type REMARK _______ _______ _______ _____ _____ ______ ____ ROOT ATOM 1 C LIG 1 3.398 -2.339 0.400 0.00 0.00 +0.247 C ATOM 2 N LIG 1 2.167 -1.694 0.334 0.00 0.00 -0.295 N ATOM 3 C LIG 1 0.967 -2.481 0.625 0.00 0.00 +0.127 C ATOM 4 C LIG 1 -0.244 -1.608 0.977 0.00 0.00 +0.127 C ATOM 5 N LIG 1 -0.528 -0.595 -0.051 0.00 0.00 -0.294 N ATOM 6 C LIG 1 -1.790 -0.095 -0.348 0.00 0.00 +0.249 C ATOM 7 O LIG 1 -2.030 0.576 -1.351 0.00 0.00 -0.270 OA ATOM 8 C LIG 1 0.588 -0.210 -0.919 0.00 0.00 +0.127 C ATOM 9 C LIG 1 1.952 -0.352 -0.231 0.00 0.00 +0.127 C ATOM 10 O LIG 1 3.511 -3.545 0.607 0.00 0.00 -0.270 OA ENDROOT BRANCH 1 15 ATOM 11 N LIG 1 8.041 0.754 -0.097 0.00 0.00 -0.318 N ATOM 12 C LIG 1 7.000 -0.163 -0.160 0.00 0.00 +0.069 A ATOM 13 C LIG 1 6.074 0.292 0.770 0.00 0.00 +0.090 A ATOM 14 C LIG 1 4.876 -0.406 0.976 0.00 0.00 +0.043 A ATOM 15 C LIG 1 4.638 -1.553 0.209 0.00 0.00 +0.039 A ATOM 16 C LIG 1 5.590 -2.020 -0.703 0.00 0.00 +0.015 A ATOM 17 N LIG 1 6.519 1.426 1.381 0.00 0.00 -0.224 NA ATOM 18 C LIG 1 6.790 -1.330 -0.911 0.00 0.00 +0.029 A ATOM 19 C LIG 1 7.713 1.694 0.869 0.00 0.00 +0.216 A BRANCH 19 20 ATOM 20 C LIG 1 8.574 2.853 1.266 0.00 0.00 +0.451 C ATOM 21 F LIG 1 8.161 3.446 2.417 0.00 0.00 -0.163 F ATOM 22 F LIG 1 8.583 3.824 0.315 0.00 0.00 -0.163 F ATOM 23 F LIG 1 9.868 2.493 1.470 0.00 0.00 -0.163 F ENDBRANCH 19 20 BRANCH 11 25 ATOM 24 C LIG 1 9.714 1.941 -1.579 0.00 0.00 +0.030 C ATOM 25 C LIG 1 9.250 0.644 -0.916 0.00 0.00 +0.083 C ATOM 26 C LIG 1 10.381 -0.062 -0.171 0.00 0.00 +0.030 C ENDBRANCH 11 25 ENDBRANCH 1 15 BRANCH 6 27 ATOM 27 C LIG 1 -2.924 -0.397 0.542 0.00 0.00 +0.072 A ATOM 28 C LIG 1 -2.908 -0.038 1.886 0.00 0.00 +0.135 A ATOM 29 F LIG 1 -1.841 0.567 2.428 0.00 0.00 -0.205 F ATOM 30 C LIG 1 -4.010 -0.297 2.695 0.00 0.00 +0.039 A ATOM 31 C LIG 1 -5.148 -0.894 2.149 0.00 0.00 +0.007 A ATOM 32 C LIG 1 -5.198 -1.224 0.785 0.00 0.00 -0.041 A ATOM 33 C LIG 1 -4.070 -0.980 -0.014 0.00 0.00 +0.020 A BRANCH 32 34 ATOM 34 C LIG 1 -6.438 -1.850 0.183 0.00 0.00 +0.094 C BRANCH 34 35 ATOM 35 C LIG 1 -7.701 -1.031 0.419 0.00 0.00 +0.087 A ATOM 36 C LIG 1 -7.973 0.161 -0.459 0.00 0.00 +0.059 A ATOM 37 N LIG 1 -7.073 0.569 -1.439 0.00 0.00 -0.342 N ATOM 38 H LIG 1 -6.102 0.354 -1.223 0.00 0.00 +0.146 HD ATOM 39 C LIG 1 -7.230 1.872 -2.081 0.00 0.00 +0.102 C ATOM 40 C LIG 1 -8.710 2.124 -2.358 0.00 0.00 +0.023 C ATOM 41 C LIG 1 -9.543 1.987 -1.078 0.00 0.00 +0.044 C ATOM 42 C LIG 1 -9.134 0.800 -0.248 0.00 0.00 +0.041 A ATOM 43 C LIG 1 -10.045 0.364 0.831 0.00 0.00 +0.270 A ATOM 44 O LIG 1 -11.106 0.939 1.054 0.00 0.00 -0.266 OA ATOM 45 N LIG 1 -9.628 -0.709 1.574 0.00 0.00 -0.243 N ATOM 46 H LIG 1 -10.245 -1.026 2.315 0.00 0.00 +0.192 HD ATOM 47 N LIG 1 -8.486 -1.423 1.380 0.00 0.00 -0.174 NA ENDBRANCH 34 35 ENDBRANCH 32 34 ENDBRANCH 6 27 TORSDOF 6