REMARK  Name = BDB014134
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.431   0.468   1.413  0.00  0.00    -0.336 N 
ATOM      2  C   LIG    1       -0.368   1.246   1.054  0.00  0.00    +0.117 A 
ATOM      3  C   LIG    1        0.610   0.359   0.650  0.00  0.00    +0.107 A 
ATOM      4  N   LIG    1        0.155  -0.939   0.776  0.00  0.00    -0.234 NA
ATOM      5  C   LIG    1       -1.069  -0.838   1.243  0.00  0.00    +0.200 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        1.934   0.722   0.162  0.00  0.00    +0.091 A 
ATOM      7  N   LIG    1        2.237   2.046   0.123  0.00  0.00    -0.253 NA
ATOM      8  C   LIG    1        3.460   2.385  -0.331  0.00  0.00    +0.112 A 
ATOM      9  C   LIG    1        4.412   1.470  -0.745  0.00  0.00    +0.030 A 
ATOM     10  C   LIG    1        4.095   0.113  -0.690  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        2.828  -0.264  -0.238  0.00  0.00    +0.040 A 
BRANCH  10  12
ATOM     12  C   LIG    1        5.030  -0.909  -1.108  0.00  0.00    +0.124 A 
ATOM     13  C   LIG    1        6.380  -0.982  -0.849  0.00  0.00    +0.166 A 
ATOM     14  N   LIG    1        6.765  -2.147  -1.445  0.00  0.00    -0.253 N 
ATOM     15  H   LIG    1        7.682  -2.582  -1.483  0.00  0.00    +0.191 HD
ATOM     16  N   LIG    1        5.732  -2.764  -2.030  0.00  0.00    -0.067 NA
ATOM     17  N   LIG    1        4.655  -2.020  -1.821  0.00  0.00    -0.129 NA
BRANCH  13  18
ATOM     18  C   LIG    1        7.335  -0.157  -0.122  0.00  0.00    +0.436 C 
ATOM     19  F   LIG    1        8.512  -0.810   0.062  0.00  0.00    -0.164 F 
ATOM     20  F   LIG    1        7.627   0.984  -0.792  0.00  0.00    -0.164 F 
ATOM     21  F   LIG    1        6.887   0.200   1.104  0.00  0.00    -0.164 F 
ENDBRANCH  13  18
ENDBRANCH  10  12
ENDBRANCH   3   6
BRANCH   1  22
ATOM     22  C   LIG    1       -2.707   0.943   1.908  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.644   1.442   0.803  0.00  0.00    +0.057 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -5.492  -0.277   0.296  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1       -4.254   0.329  -0.028  0.00  0.00    -0.034 A 
ATOM     26  C   LIG    1       -3.545  -0.126  -1.155  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -4.040  -1.160  -1.946  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.255  -1.756  -1.631  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -5.976  -1.316  -0.522  0.00  0.00    +0.012 A 
BRANCH  24  31
ATOM     30  F   LIG    1       -7.391  -0.638   1.738  0.00  0.00    -0.166 F 
ATOM     31  C   LIG    1       -6.326   0.171   1.477  0.00  0.00    +0.418 C 
ATOM     32  F   LIG    1       -6.842   1.420   1.308  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.611   0.217   2.637  0.00  0.00    -0.166 F 
ENDBRANCH  24  31
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7