REMARK  Name = BDB004369
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.365   2.502  -2.566  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        5.514   1.966  -1.865  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.783   0.693  -1.182  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.776   0.141  -0.406  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        4.968  -1.058   0.268  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1        4.008  -1.647   1.050  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1        2.792  -1.014   1.165  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        2.475   0.192   0.538  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        1.210   0.764   0.709  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1        0.249   0.131   1.514  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1        0.578  -1.079   2.141  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        1.842  -1.648   1.967  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        6.195  -1.716   0.158  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        7.217  -1.167  -0.623  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        3.499   0.841  -0.302  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1        3.264   1.969  -0.905  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        7.013   0.040  -1.296  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        4.263   2.506  -1.667  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1        4.053   3.384  -2.131  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -1.121   0.752   1.698  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.893   0.836   0.448  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -3.089   1.680   0.600  0.00  0.00    +0.090 C 
ATOM     23  C   LIG    1       -4.365   0.880   0.837  0.00  0.00    +0.080 C 
ATOM     24  C   LIG    1       -4.640  -0.051  -0.349  0.00  0.00    +0.172 C 
ATOM     25  O   LIG    1       -5.507   0.608  -1.293  0.00  0.00    -0.346 OA
ATOM     26  C   LIG    1       -6.778  -0.018  -1.129  0.00  0.00    +0.191 C 
ATOM     27  C   LIG    1       -6.423  -1.417  -0.712  0.00  0.00    +0.191 C 
ATOM     28  O   LIG    1       -5.309  -1.225   0.158  0.00  0.00    -0.346 OA
ATOM     29  C   LIG    1       -3.361  -0.464  -1.081  0.00  0.00    +0.080 C 
ATOM     30  C   LIG    1       -2.188  -0.497  -0.107  0.00  0.00    +0.090 C 
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 2