REMARK  Name = BDB064986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.398  -0.461   1.573  0.00  0.00    +0.118 A 
ATOM      2  C   LIG    1       -1.087  -0.379   0.318  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1       -2.338  -0.938   0.534  0.00  0.00    +0.089 A 
ATOM      4  C   LIG    1       -3.306  -1.033  -0.472  0.00  0.00    -0.005 A 
ATOM      5  C   LIG    1       -2.903  -0.504  -1.709  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -1.629   0.050  -1.879  0.00  0.00    +0.145 A 
ATOM      7  N   LIG    1       -2.332  -1.302   1.850  0.00  0.00    -0.275 N 
ATOM      8  H   LIG    1       -3.082  -1.739   2.373  0.00  0.00    +0.189 HD
ATOM      9  N   LIG    1       -0.707   0.122  -0.884  0.00  0.00    -0.239 NA
ATOM     10  N   LIG    1       -1.192  -1.034   2.501  0.00  0.00    -0.171 NA
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.205   0.736   1.260  0.00  0.00    -0.044 A 
ATOM     12  C   LIG    1        1.905   0.309   0.927  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        0.962  -0.015   1.916  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.349   0.093   3.261  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1        2.633   0.519   3.607  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        3.554   0.840   2.613  0.00  0.00    +0.004 A 
BRANCH  11  18
ATOM     17  C   LIG    1        3.786   2.316  -0.605  0.00  0.00    +0.013 C 
ATOM     18  C   LIG    1        4.228   1.078   0.185  0.00  0.00    +0.023 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.489  -0.134  -0.733  0.00  0.00    +0.084 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.785  -0.015  -1.463  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1        6.988  -0.495  -1.015  0.00  0.00    -0.320 N 
ATOM     22  C   LIG    1        7.251  -1.196   0.212  0.00  0.00    +0.151 C 
ATOM     23  C   LIG    1        7.903  -0.178  -1.970  0.00  0.00    +0.224 A 
ATOM     24  N   LIG    1        7.309   0.458  -2.951  0.00  0.00    -0.138 NA
ATOM     25  N   LIG    1        5.974   0.557  -2.635  0.00  0.00    -0.135 NA
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  11  18
ENDBRANCH   1  13
BRANCH   6  26
ATOM     26  C   LIG    1       -1.274   0.624  -3.246  0.00  0.00    +0.434 C 
ATOM     27  F   LIG    1        0.046   0.920  -3.402  0.00  0.00    -0.164 F 
ATOM     28  F   LIG    1       -1.952   1.776  -3.521  0.00  0.00    -0.164 F 
ATOM     29  F   LIG    1       -1.583  -0.232  -4.266  0.00  0.00    -0.164 F 
ENDBRANCH   6  26
BRANCH   4  30
ATOM     30  C   LIG    1       -4.685  -1.618  -0.293  0.00  0.00    +0.122 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -5.736  -0.610  -0.431  0.00  0.00    -0.295 NA
ATOM     32  C   LIG    1       -7.082  -1.210  -0.439  0.00  0.00    +0.121 C 
ATOM     33  C   LIG    1       -8.011  -0.146   0.144  0.00  0.00    +0.181 C 
ATOM     34  F   LIG    1       -8.533  -0.619   1.313  0.00  0.00    -0.244 F 
ATOM     35  C   LIG    1       -7.112   1.031   0.464  0.00  0.00    +0.053 C 
ATOM     36  C   LIG    1       -5.755   0.377   0.655  0.00  0.00    +0.087 C 
ENDBRANCH  30  31
ENDBRANCH   4  30
TORSDOF 7