REMARK  Name = BDB013145
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.791   0.473  -0.690  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.908   1.077   0.246  0.00  0.00    +0.174 A 
ATOM      3  N   LIG    1       -0.574   0.762   0.142  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1        0.052   1.505   1.099  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -0.836   2.181   1.791  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -0.067  -0.126  -0.811  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.874  -0.662  -1.687  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -2.074   1.916   1.249  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -2.217  -0.343  -1.603  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  11
ATOM     10  N   LIG    1       -5.058   0.526   0.277  0.00  0.00    -0.264 N 
ATOM     11  C   LIG    1       -4.194   0.697  -0.786  0.00  0.00    +0.074 A 
ATOM     12  C   LIG    1       -4.995   1.088  -1.845  0.00  0.00    +0.049 A 
ATOM     13  C   LIG    1       -6.302   1.106  -1.340  0.00  0.00    +0.135 A 
ATOM     14  N   LIG    1       -6.353   0.742  -0.060  0.00  0.00    -0.179 NA
BRANCH  10  16
ATOM     15  C   LIG    1       -5.031   1.135   2.676  0.00  0.00    +0.029 C 
ATOM     16  C   LIG    1       -4.793   0.061   1.629  0.00  0.00    +0.141 C 
ENDBRANCH  10  16
ENDBRANCH   1  11
BRANCH   6  17
ATOM     17  N   LIG    1        1.276  -0.428  -0.860  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.439  -0.912  -1.745  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        1.864  -1.248   0.200  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.299  -1.550  -0.121  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        4.272  -0.560  -0.235  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.155   0.916  -0.149  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.638   1.282  -0.077  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        6.417   0.204  -0.643  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        5.588  -0.883  -0.547  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        6.000  -2.183  -0.756  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        5.048  -3.193  -0.631  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.721  -2.873  -0.316  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        2.833  -3.873  -0.209  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 5