REMARK  Name = BDB013178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.413  -0.267  -0.254  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1       -1.827   0.743  -1.062  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.487   0.980  -0.885  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.187   2.022  -1.712  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.253   2.363  -2.401  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.305   0.257   0.012  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.235  -0.668   0.761  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.292   1.554  -1.990  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.586  -0.912   0.598  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -7.108  -0.698   1.637  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1       -6.058  -0.896   0.581  0.00  0.00    +0.042 A 
ATOM     12  C   LIG    1       -4.755  -0.392   0.723  0.00  0.00    -0.022 A 
ATOM     13  C   LIG    1       -4.350   0.372   1.955  0.00  0.00    +0.046 C 
ATOM     14  C   LIG    1       -3.835  -0.669  -0.311  0.00  0.00    -0.007 A 
ATOM     15  C   LIG    1       -4.266  -1.361  -1.446  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.577  -1.787  -1.502  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1       -6.468  -1.584  -0.514  0.00  0.00    -0.260 NA
ENDBRANCH   1  14
BRANCH   6  18
ATOM     18  N   LIG    1        1.650   0.523   0.136  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1        1.972   0.090   1.000  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1        2.554   0.119  -0.938  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.934   0.621  -0.643  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1        4.830  -0.067   0.170  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        4.670  -1.336   0.920  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1        6.128  -1.584   1.309  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1        6.841  -0.327   1.283  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1        6.085   0.459   0.453  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1        6.506   1.676  -0.045  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1        5.627   2.380  -0.867  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1        4.361   1.854  -1.155  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1        3.537   2.563  -1.940  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4