REMARK  Name = BDB041302
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.829  -0.616   1.506  0.00  0.00    +0.128 A 
ATOM      2  C   LIG    1       -0.804  -1.585   1.594  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        0.533  -1.181   1.435  0.00  0.00    +0.016 A 
ATOM      4  C   LIG    1        1.505  -2.182   1.540  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        1.229  -3.486   1.774  0.00  0.00    -0.157 NA
ATOM      6  N   LIG    1       -0.056  -3.873   1.908  0.00  0.00    -0.157 NA
ATOM      7  C   LIG    1        0.820   0.179   1.179  0.00  0.00    +0.010 A 
ATOM      8  C   LIG    1       -0.265   1.045   1.103  0.00  0.00    +0.122 A 
ATOM      9  C   LIG    1       -1.034  -2.945   1.815  0.00  0.00    +0.146 A 
ATOM     10  N   LIG    1       -1.555   0.679   1.264  0.00  0.00    -0.239 NA
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1        2.179   0.694   0.989  0.00  0.00    -0.016 A 
ATOM     12  C   LIG    1        2.782   0.666  -0.278  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        4.084   1.153  -0.467  0.00  0.00    -0.041 A 
ATOM     14  C   LIG    1        4.731   1.075  -1.827  0.00  0.00    +0.050 C 
ATOM     15  C   LIG    1        5.972   1.969  -1.935  0.00  0.00    +0.086 C 
ATOM     16  N   LIG    1        6.862   1.770  -0.790  0.00  0.00    -0.312 NA
ATOM     17  H   LIG    1        7.713   2.315  -0.920  0.00  0.00    +0.122 HD
ATOM     18  C   LIG    1        6.204   2.212   0.445  0.00  0.00    +0.116 C 
ATOM     19  C   LIG    1        4.810   1.655   0.627  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        4.203   1.695   1.889  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        2.903   1.218   2.068  0.00  0.00    +0.009 A 
ENDBRANCH   7  11
BRANCH   1  22
ATOM     22  N   LIG    1       -3.171  -1.010   1.690  0.00  0.00    -0.324 N 
ATOM     23  H   LIG    1       -3.260  -1.362   2.640  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.182   0.022   1.439  0.00  0.00    +0.141 C 
BRANCH  24  27
ATOM     25  F   LIG    1       -4.292   2.623   0.359  0.00  0.00    -0.205 F 
ATOM     26  C   LIG    1       -4.457   1.603  -0.497  0.00  0.00    +0.129 A 
ATOM     27  C   LIG    1       -4.405   0.282  -0.027  0.00  0.00    +0.012 A 
ATOM     28  C   LIG    1       -4.628  -0.723  -0.966  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1       -4.737  -2.193  -0.797  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -4.685  -2.617  -2.265  0.00  0.00    +0.234 C 
ATOM     31  O   LIG    1       -5.108  -1.510  -3.091  0.00  0.00    -0.491 OA
ATOM     32  C   LIG    1       -4.881  -0.413  -2.299  0.00  0.00    +0.124 A 
ATOM     33  C   LIG    1       -4.929   0.885  -2.762  0.00  0.00    +0.049 A 
ATOM     34  C   LIG    1       -4.709   1.908  -1.842  0.00  0.00    +0.042 A 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH   1  22
TORSDOF 4