REMARK  Name = BDB013245
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.990   0.361  -0.032  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -1.514   0.681   1.270  0.00  0.00    +0.174 A 
ATOM      3  N   LIG    1       -0.424  -0.018   1.729  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.228   0.413   3.008  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1       -1.100   1.350   3.304  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1        0.226  -1.002   0.978  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.237  -1.329  -0.199  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1       -1.908   1.527   2.203  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1       -1.325  -0.623  -0.679  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.453   2.393  -0.803  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -5.072   1.911  -1.065  0.00  0.00    +0.107 A 
ATOM     12  N   LIG    1       -4.297   1.244  -0.135  0.00  0.00    -0.331 N 
ATOM     13  C   LIG    1       -4.756   0.853   1.180  0.00  0.00    +0.150 C 
ATOM     14  C   LIG    1       -3.066   1.000  -0.713  0.00  0.00    +0.073 A 
ATOM     15  C   LIG    1       -3.190   1.504  -1.994  0.00  0.00    +0.139 A 
ATOM     16  N   LIG    1       -4.424   2.053  -2.202  0.00  0.00    -0.240 NA
ENDBRANCH   1  14
BRANCH   6  17
ATOM     17  N   LIG    1        1.332  -1.670   1.463  0.00  0.00    -0.310 N 
ATOM     18  H   LIG    1        1.514  -2.442   0.822  0.00  0.00    +0.149 HD
BRANCH  17  19
ATOM     19  C   LIG    1        2.589  -0.960   1.697  0.00  0.00    +0.143 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.205  -0.495   0.410  0.00  0.00    +0.012 A 
ATOM     21  C   LIG    1        3.953  -1.327  -0.416  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1        4.283  -2.767  -0.288  0.00  0.00    +0.080 C 
ATOM     23  C   LIG    1        5.350  -2.878  -1.378  0.00  0.00    +0.234 C 
ATOM     24  O   LIG    1        5.165  -1.805  -2.328  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        4.467  -0.861  -1.621  0.00  0.00    +0.124 A 
ATOM     26  C   LIG    1        4.261   0.431  -2.062  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1        3.518   1.284  -1.249  0.00  0.00    +0.042 A 
ATOM     28  C   LIG    1        3.002   0.820  -0.033  0.00  0.00    +0.129 A 
ATOM     29  F   LIG    1        2.278   1.662   0.719  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6  17
TORSDOF 4