REMARK  Name = BDB007683
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.806  -2.649  -0.605  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.457  -1.497  -0.837  0.00  0.00    +0.246 C 
ATOM      3  N   LIG    1        0.190  -1.162  -1.261  0.00  0.00    -0.309 N 
ATOM      4  H   LIG    1        0.037  -0.271  -1.723  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        2.426  -0.388  -0.685  0.00  0.00    +0.056 A 
ATOM      6  C   LIG    1        3.797  -0.654  -0.772  0.00  0.00    +0.039 A 
ATOM      7  C   LIG    1        4.740   0.366  -0.601  0.00  0.00    +0.046 A 
ATOM      8  C   LIG    1        4.217   1.646  -0.403  0.00  0.00    +0.133 A 
ATOM      9  N   LIG    1        2.897   1.946  -0.291  0.00  0.00    -0.261 NA
ATOM     10  C   LIG    1        2.032   0.915  -0.425  0.00  0.00    +0.123 A 
BRANCH   7  11
ATOM     11  N   LIG    1        6.094   0.065  -0.771  0.00  0.00    -0.338 N 
ATOM     12  H   LIG    1        6.292  -0.916  -0.573  0.00  0.00    +0.146 HD
BRANCH  11  13
ATOM     13  C   LIG    1        7.131   0.971  -0.280  0.00  0.00    +0.098 C 
ATOM     14  C   LIG    1        8.530   0.526  -0.712  0.00  0.00    +0.182 C 
ATOM     15  O   LIG    1        9.443   0.879   0.341  0.00  0.00    -0.378 OA
ATOM     16  C   LIG    1        8.681   1.411   1.431  0.00  0.00    +0.162 C 
ATOM     17  C   LIG    1        7.258   0.947   1.229  0.00  0.00    +0.052 C 
ENDBRANCH  11  13
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  18
ATOM     18  C   LIG    1       -0.777  -2.187  -1.618  0.00  0.00    +0.137 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.211  -1.645  -1.597  0.00  0.00    +0.145 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.273  -0.437  -2.375  0.00  0.00    -0.389 OA
ATOM     21  H   LIG    1       -3.088   0.009  -2.061  0.00  0.00    +0.210 HD
ENDBRANCH  19  20
BRANCH  19  22
ATOM     22  C   LIG    1       -2.701  -1.344  -0.163  0.00  0.00    +0.117 C 
BRANCH  22  23
ATOM     23  N   LIG    1       -4.013  -0.652  -0.181  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1       -4.251  -0.013   1.133  0.00  0.00    +0.120 C 
ATOM     25  C   LIG    1       -5.629   0.597   1.274  0.00  0.00    -0.030 A 
ATOM     26  C   LIG    1       -6.690   0.179   0.452  0.00  0.00    -0.042 A 
ATOM     27  C   LIG    1       -7.964   0.737   0.622  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -8.191   1.684   1.620  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -7.147   2.085   2.450  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.439  -0.816  -0.650  0.00  0.00    +0.051 C 
ATOM     31  C   LIG    1       -5.873   1.543   2.281  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -5.121  -1.583  -0.465  0.00  0.00    +0.089 C 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 8