REMARK  Name = BDB063235
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.460   0.718   0.295  0.00  0.00    +0.258 A 
ATOM      2  N   LIG    1       -0.465  -0.155   0.031  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1        0.764   0.153   0.486  0.00  0.00    +0.147 A 
ATOM      4  C   LIG    1        0.969   1.301   1.224  0.00  0.00    +0.178 A 
ATOM      5  N   LIG    1       -0.035   2.159   1.474  0.00  0.00    -0.151 NA
ATOM      6  N   LIG    1       -1.265   1.858   0.994  0.00  0.00    -0.110 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -3.197  -0.670  -0.923  0.00  0.00    +0.117 A 
ATOM      8  N   LIG    1       -2.780   0.434  -0.176  0.00  0.00    -0.263 N 
ATOM      9  C   LIG    1       -3.918   1.219   0.030  0.00  0.00    +0.079 A 
ATOM     10  C   LIG    1       -4.948   0.526  -0.603  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -6.258   1.036  -0.591  0.00  0.00    +0.033 A 
ATOM     12  C   LIG    1       -6.510   2.244   0.062  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1       -5.473   2.923   0.689  0.00  0.00    +0.125 A 
ATOM     14  F   LIG    1       -5.736   4.080   1.310  0.00  0.00    -0.205 F 
ATOM     15  C   LIG    1       -4.164   2.437   0.692  0.00  0.00    +0.066 A 
ATOM     16  N   LIG    1       -4.492  -0.621  -1.176  0.00  0.00    -0.232 NA
BRANCH   7  18
ATOM     17  C   LIG    1       -2.171  -2.880  -0.359  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -2.335  -1.793  -1.410  0.00  0.00    +0.071 C 
ENDBRANCH   7  18
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  N   LIG    1        1.768  -0.778   0.212  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        1.367  -1.574  -0.276  0.00  0.00    +0.154 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.148  -0.638  -0.008  0.00  0.00    +0.032 A 
ATOM     22  C   LIG    1        3.954  -1.781   0.091  0.00  0.00    +0.024 A 
ATOM     23  C   LIG    1        5.340  -1.710  -0.082  0.00  0.00    +0.014 A 
ATOM     24  C   LIG    1        5.960  -0.484  -0.352  0.00  0.00    +0.055 A 
ATOM     25  C   LIG    1        5.159   0.660  -0.461  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        3.772   0.583  -0.284  0.00  0.00    +0.024 A 
BRANCH  24  27
ATOM     27  C   LIG    1        7.452  -0.404  -0.564  0.00  0.00    +0.417 C 
ATOM     28  F   LIG    1        8.143  -1.346   0.137  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        7.798  -0.580  -1.869  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        7.980   0.796  -0.194  0.00  0.00    -0.166 F 
ENDBRANCH  24  27
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5