REMARK  Name = BDB013048
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.010   0.262  -0.041  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.905   0.771  -1.005  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        2.234   0.477  -0.823  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        2.878   1.013  -1.898  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        2.019   1.643  -2.666  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        2.713  -0.266   0.259  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        1.873  -0.763   1.126  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.771   1.492  -2.101  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.530  -0.488   0.947  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  13
ATOM     10  C   LIG    1       -4.290   0.844  -0.213  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1       -3.587   1.022   0.990  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.201   0.840   1.052  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -1.478   0.457  -0.086  0.00  0.00    -0.013 A 
ATOM     14  C   LIG    1       -2.177   0.278  -1.286  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1       -3.564   0.461  -1.349  0.00  0.00    +0.006 A 
BRANCH  10  17
ATOM     16  C   LIG    1       -6.379   1.429  -1.595  0.00  0.00    +0.029 C 
ATOM     17  C   LIG    1       -5.807   1.050  -0.218  0.00  0.00    +0.084 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -6.478  -0.069   0.461  0.00  0.00    -0.296 NA
ATOM     19  C   LIG    1       -7.876   0.161   0.804  0.00  0.00    +0.085 C 
ATOM     20  C   LIG    1       -8.315  -1.204   1.313  0.00  0.00    +0.017 C 
ATOM     21  C   LIG    1       -7.420  -2.203   0.586  0.00  0.00    +0.017 C 
ATOM     22  C   LIG    1       -6.446  -1.357  -0.226  0.00  0.00    +0.085 C 
ENDBRANCH  17  18
ENDBRANCH  10  17
ENDBRANCH   1  13
BRANCH   6  23
ATOM     23  N   LIG    1        4.062  -0.509   0.414  0.00  0.00    -0.310 N 
ATOM     24  H   LIG    1        4.150  -1.229   1.134  0.00  0.00    +0.149 HD
BRANCH  23  25
ATOM     25  C   LIG    1        4.945   0.594   0.791  0.00  0.00    +0.143 C 
BRANCH  25  26
ATOM     26  C   LIG    1        6.338   0.081   1.019  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        7.100  -0.508   0.013  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1        6.754  -0.819  -1.395  0.00  0.00    +0.080 C 
ATOM     29  C   LIG    1        8.146  -1.164  -1.925  0.00  0.00    +0.234 C 
ATOM     30  O   LIG    1        8.989  -1.552  -0.817  0.00  0.00    -0.491 OA
ATOM     31  C   LIG    1        8.381  -0.982   0.270  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1        8.964  -0.896   1.518  0.00  0.00    +0.049 A 
ATOM     33  C   LIG    1        8.227  -0.296   2.538  0.00  0.00    +0.042 A 
ATOM     34  C   LIG    1        6.935   0.185   2.283  0.00  0.00    +0.129 A 
ATOM     35  F   LIG    1        6.258   0.751   3.292  0.00  0.00    -0.205 F 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   6  23
TORSDOF 6