REMARK  Name = BDB013133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -0.158  -0.024  0.00  0.00    +0.047 A 
ATOM      2  C   LIG    1        0.172  -1.117  -0.466  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -1.154  -0.770  -0.376  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -1.841  -1.817  -0.915  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.005  -2.770  -1.258  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.590   0.454   0.140  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.714   1.344   0.524  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        0.270  -2.328  -0.975  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.624   1.010   0.438  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.529  -1.911   1.976  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        3.253  -1.153   0.898  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1        2.579  -0.354  -0.039  0.00  0.00    +0.008 A 
ATOM     13  C   LIG    1        3.345   0.274  -1.023  0.00  0.00    +0.120 A 
ATOM     14  N   LIG    1        4.691   0.183  -1.131  0.00  0.00    -0.250 NA
ATOM     15  C   LIG    1        5.325  -0.592  -0.215  0.00  0.00    +0.126 A 
ATOM     16  C   LIG    1        4.646  -1.278   0.791  0.00  0.00    +0.037 A 
BRANCH  15  17
ATOM     17  C   LIG    1        6.814  -0.771  -0.329  0.00  0.00    +0.264 C 
ATOM     18  N   LIG    1        7.611   0.201  -0.947  0.00  0.00    -0.302 N 
ATOM     19  C   LIG    1        8.991  -0.121  -1.264  0.00  0.00    +0.132 C 
ATOM     20  C   LIG    1        7.145   1.515  -1.361  0.00  0.00    +0.132 C 
ATOM     21  O   LIG    1        7.301  -1.802   0.144  0.00  0.00    -0.268 OA
ENDBRANCH  15  17
ENDBRANCH   1  12
BRANCH   6  22
ATOM     22  N   LIG    1       -2.934   0.751   0.228  0.00  0.00    -0.310 N 
ATOM     23  H   LIG    1       -3.004   1.750   0.429  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.758   0.049   1.211  0.00  0.00    +0.143 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.149   0.615   1.211  0.00  0.00    +0.012 A 
ATOM     26  C   LIG    1       -5.995   0.536   0.108  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -5.754  -0.012  -1.249  0.00  0.00    +0.080 C 
ATOM     28  C   LIG    1       -7.189  -0.013  -1.778  0.00  0.00    +0.234 C 
ATOM     29  O   LIG    1       -7.968   0.946  -1.027  0.00  0.00    -0.491 OA
ATOM     30  C   LIG    1       -7.270   1.088   0.143  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -7.765   1.734   1.258  0.00  0.00    +0.049 A 
ATOM     32  C   LIG    1       -6.942   1.812   2.381  0.00  0.00    +0.042 A 
ATOM     33  C   LIG    1       -5.656   1.256   2.349  0.00  0.00    +0.129 A 
ATOM     34  F   LIG    1       -4.893   1.358   3.447  0.00  0.00    -0.205 F 
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   6  22
TORSDOF 5