REMARK  Name = BDB004124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.536  -1.014   0.304  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -1.056   0.158  -0.261  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -2.417   0.268  -0.576  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -3.282  -0.795  -0.331  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1       -2.770  -1.967   0.231  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.413  -2.079   0.544  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.796   0.776   0.508  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        3.526   0.233   0.401  0.00  0.00    -0.267 N 
ATOM      9  C   LIG    1        2.395   0.917   1.014  0.00  0.00    +0.111 C 
ATOM     10  C   LIG    1        1.421  -0.074   1.643  0.00  0.00    +0.027 C 
ATOM     11  C   LIG    1        0.938  -1.152   0.649  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        1.796  -1.212  -0.627  0.00  0.00    +0.027 C 
ATOM     13  C   LIG    1        3.273  -1.019  -0.305  0.00  0.00    +0.111 C 
ATOM     14  O   LIG    1        5.035   1.841   1.061  0.00  0.00    -0.226 OA
BRANCH   7  15
ATOM     15  O   LIG    1        5.735  -0.019  -0.068  0.00  0.00    -0.445 OA
BRANCH  15  17
ATOM     16  C   LIG    1        7.364   1.655  -0.853  0.00  0.00    +0.055 C 
ATOM     17  C   LIG    1        7.136   0.357  -0.070  0.00  0.00    +0.107 C 
ATOM     18  C   LIG    1        7.694   0.439   1.355  0.00  0.00    +0.055 C 
ATOM     19  C   LIG    1        7.843  -0.790  -0.807  0.00  0.00    +0.055 C 
ENDBRANCH  15  17
ENDBRANCH   7  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  O   LIG    1       -4.624  -0.831  -0.581  0.00  0.00    -0.480 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -5.256   0.299  -1.190  0.00  0.00    +0.259 C 
ATOM     22  C   LIG    1       -5.439   1.478  -0.211  0.00  0.00    +0.254 C 
ATOM     23  O   LIG    1       -4.898   2.570  -0.395  0.00  0.00    -0.272 OA
ATOM     24  N   LIG    1       -6.239   1.304   0.887  0.00  0.00    -0.312 N 
ATOM     25  H   LIG    1       -6.344   2.127   1.468  0.00  0.00    +0.149 HD
ATOM     26  C   LIG    1       -7.072   0.151   1.122  0.00  0.00    +0.104 C 
ATOM     27  C   LIG    1       -8.232   0.075   0.136  0.00  0.00    +0.019 C 
ATOM     28  C   LIG    1       -7.876   0.415  -1.314  0.00  0.00    +0.006 C 
ATOM     29  C   LIG    1       -6.575  -0.212  -1.816  0.00  0.00    +0.054 C 
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 5