REMARK  Name = BDB013204
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.699   0.022  -0.249  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        2.076  -1.199  -0.627  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1        0.717  -1.187  -0.805  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.378  -2.469  -1.126  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        1.457  -3.217  -1.171  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.067  -0.041  -0.647  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1        0.511   1.074  -0.294  0.00  0.00    -0.220 NA
ATOM      8  N   LIG    1        2.531  -2.414  -0.855  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        1.887   1.103  -0.099  0.00  0.00    +0.053 A 
ATOM     10  C   LIG    1        2.375   2.478   0.301  0.00  0.00    +0.066 C 
ENDROOT
BRANCH   1  13
ATOM     11  C   LIG    1        3.948  -0.486   2.426  0.00  0.00    +0.066 C 
ATOM     12  C   LIG    1        4.756  -0.107   1.218  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        4.157   0.115  -0.031  0.00  0.00    +0.008 A 
ATOM     14  C   LIG    1        4.989   0.440  -1.109  0.00  0.00    +0.012 A 
ATOM     15  C   LIG    1        6.363   0.546  -0.918  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        6.863   0.325   0.352  0.00  0.00    +0.111 A 
ATOM     17  N   LIG    1        6.096   0.009   1.417  0.00  0.00    -0.260 NA
ENDBRANCH   1  13
BRANCH   6  18
ATOM     18  N   LIG    1       -1.427  -0.124  -0.860  0.00  0.00    -0.310 N 
ATOM     19  H   LIG    1       -1.761  -0.856  -1.477  0.00  0.00    +0.149 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.247   1.075  -0.921  0.00  0.00    +0.143 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.697   0.688  -0.897  0.00  0.00    +0.012 A 
ATOM     22  C   LIG    1       -4.321   0.217   0.254  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.765  -0.045   1.604  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -5.070  -0.243   2.375  0.00  0.00    +0.234 C 
ATOM     25  O   LIG    1       -6.112  -0.626   1.447  0.00  0.00    -0.491 OA
ATOM     26  C   LIG    1       -5.656  -0.167   0.239  0.00  0.00    +0.124 A 
ATOM     27  C   LIG    1       -6.428  -0.105  -0.903  0.00  0.00    +0.049 A 
ATOM     28  C   LIG    1       -5.826   0.370  -2.068  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -4.479   0.758  -2.057  0.00  0.00    +0.129 A 
ATOM     30  F   LIG    1       -3.930   1.190  -3.201  0.00  0.00    -0.205 F 
ENDBRANCH  20  21
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4