REMARK  Name = BDB018794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.458  -0.182   0.603  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1       -1.491  -0.859  -0.130  0.00  0.00    -0.269 N 
ATOM      3  C   LIG    1       -0.101  -0.799   0.095  0.00  0.00    +0.040 A 
ATOM      4  C   LIG    1        0.571  -1.608  -0.825  0.00  0.00    -0.021 A 
ATOM      5  C   LIG    1        1.954  -1.722  -0.813  0.00  0.00    +0.051 A 
ATOM      6  C   LIG    1        2.669  -0.997   0.140  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1        1.999  -0.200   1.082  0.00  0.00    +0.048 A 
ATOM      8  C   LIG    1       -0.378  -2.257  -1.778  0.00  0.00    +0.056 C 
ATOM      9  C   LIG    1        0.603  -0.090   1.055  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1       -1.736  -1.846  -1.199  0.00  0.00    +0.118 C 
ATOM     11  O   LIG    1       -2.201   0.595   1.525  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   1  13
ATOM     12  N   LIG    1       -4.916  -0.115   1.233  0.00  0.00    -0.258 N 
ATOM     13  C   LIG    1       -3.917  -0.401   0.158  0.00  0.00    +0.170 C 
ATOM     14  C   LIG    1       -4.293   0.578  -0.955  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -4.755   1.806  -0.190  0.00  0.00    +0.022 C 
ATOM     16  C   LIG    1       -5.505   1.230   1.003  0.00  0.00    +0.117 C 
BRANCH  12  18
ATOM     17  N   LIG    1       -5.044  -1.374   3.384  0.00  0.00    -0.174 NA
ATOM     18  C   LIG    1       -4.975  -0.776   2.396  0.00  0.00    +0.170 C 
ENDBRANCH  12  18
ENDBRANCH   1  13
BRANCH   6  19
ATOM     19  O   LIG    1        4.036  -1.163   0.147  0.00  0.00    -0.456 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.811  -0.033   0.276  0.00  0.00    +0.128 A 
ATOM     21  C   LIG    1        5.877  -0.095   1.175  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1        6.721   1.004   1.329  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1        6.509   2.158   0.573  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        5.457   2.211  -0.342  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1        4.610   1.113  -0.498  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4