REMARK  Name = BDB004104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.864   0.370   0.087  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        1.479   0.177   0.202  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        0.957  -1.053  -0.218  0.00  0.00    +0.093 A 
ATOM      4  C   LIG    1        1.758  -2.066  -0.730  0.00  0.00    +0.113 A 
ATOM      5  N   LIG    1        0.985  -3.144  -1.062  0.00  0.00    -0.129 NA
ATOM      6  N   LIG    1       -0.277  -2.846  -0.784  0.00  0.00    -0.064 NA
ATOM      7  C   LIG    1        3.140  -1.866  -0.841  0.00  0.00    +0.035 A 
ATOM      8  N   LIG    1       -0.301  -1.600  -0.263  0.00  0.00    -0.232 N 
ATOM      9  C   LIG    1        3.682  -0.638  -0.429  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   8  10
ATOM     10  C   LIG    1       -1.595  -0.995   0.035  0.00  0.00    +0.195 C 
ATOM     11  C   LIG    1       -1.742  -0.663   1.513  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -0.826  -0.654   2.329  0.00  0.00    -0.273 OA
ATOM     13  N   LIG    1       -3.035  -0.457   1.938  0.00  0.00    -0.255 N 
ATOM     14  H   LIG    1       -3.084  -0.629   2.939  0.00  0.00    +0.158 HD
ATOM     15  C   LIG    1       -3.647   0.756   1.789  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1       -4.247   1.240   2.750  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1       -3.486   1.536   0.505  0.00  0.00    +0.096 C 
ATOM     18  C   LIG    1       -3.322   0.705  -0.757  0.00  0.00    +0.012 C 
ATOM     19  C   LIG    1       -1.901   0.169  -0.908  0.00  0.00    +0.037 C 
ENDBRANCH   8  10
BRANCH   1  21
ATOM     20  C   LIG    1        4.690   1.838   0.510  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        3.288   1.601   0.515  0.00  0.00    -0.495 OA
ENDBRANCH   1  21
TORSDOF 2