REMARK  Name = BDB019643
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.620   1.733   0.066  0.00  0.00    +0.074 A 
ATOM      2  N   LIG    1        0.460   1.424  -0.686  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1        0.712   0.114  -0.929  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1       -0.071  -0.922  -0.432  0.00  0.00    +0.038 A 
ATOM      5  C   LIG    1       -1.164  -0.601   0.376  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -1.435   0.750   0.624  0.00  0.00    +0.033 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -3.161   3.146  -0.773  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1       -2.028   3.839  -0.067  0.00  0.00    +0.050 A 
ATOM      9  C   LIG    1       -0.844   3.167   0.288  0.00  0.00    +0.022 A 
ATOM     10  C   LIG    1        0.172   3.942   0.872  0.00  0.00    +0.016 A 
ATOM     11  C   LIG    1       -0.021   5.299   1.111  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1       -1.233   5.853   0.758  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1       -1.436   7.156   0.997  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1       -2.237   5.160   0.184  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1        1.910  -0.172  -1.785  0.00  0.00    +0.263 C 
ATOM     16  N   LIG    1        2.652  -1.290  -1.437  0.00  0.00    -0.306 N 
ATOM     17  H   LIG    1        2.496  -1.718  -0.535  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1        2.212   0.564  -2.718  0.00  0.00    -0.269 OA
BRANCH  16  19
ATOM     19  C   LIG    1        3.913  -1.574  -2.085  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.066  -1.090  -1.242  0.00  0.00    -0.028 A 
ATOM     21  C   LIG    1        5.397   0.274  -1.216  0.00  0.00    +0.045 A 
ATOM     22  C   LIG    1        6.447   0.726  -0.419  0.00  0.00    +0.142 A 
ATOM     23  F   LIG    1        6.737   2.035  -0.415  0.00  0.00    -0.204 F 
ATOM     24  C   LIG    1        7.177  -0.166   0.362  0.00  0.00    +0.076 A 
ATOM     25 CL   LIG    1        8.473   0.386   1.352  0.00  0.00    -0.081 Cl
ATOM     26  C   LIG    1        6.856  -1.523   0.349  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        5.802  -1.984  -0.448  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1       -2.064  -1.674   0.935  0.00  0.00    +0.139 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.309  -1.685   0.198  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -3.165  -1.649  -0.808  0.00  0.00    +0.149 HD
BRANCH  29  31
ATOM     31  C   LIG    1       -4.278  -2.585   0.466  0.00  0.00    +0.176 C 
ATOM     32  N   LIG    1       -4.578  -2.827   1.767  0.00  0.00    -0.316 N 
ATOM     33  H   LIG    1       -4.602  -1.987   2.333  0.00  0.00    +0.149 HD
ATOM     34  C   LIG    1       -5.811  -3.590   1.775  0.00  0.00    +0.127 C 
ATOM     35  C   LIG    1       -5.884  -4.074   0.324  0.00  0.00    +0.163 C 
ATOM     36  N   LIG    1       -4.955  -3.207  -0.453  0.00  0.00    -0.255 NA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7