REMARK  Name = BDB057603
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.403  -1.636   0.800  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1        0.093  -2.066   0.902  0.00  0.00    +0.100 A 
ATOM      3  C   LIG    1        0.138  -3.037   1.951  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -0.944  -3.915   2.466  0.00  0.00    +0.068 C 
ATOM      5  N   LIG    1        1.360  -3.142   2.494  0.00  0.00    -0.177 NA
ATOM      6  N   LIG    1        2.103  -2.287   1.769  0.00  0.00    -0.262 N 
ATOM      7  H   LIG    1        3.092  -2.183   1.959  0.00  0.00    +0.190 HD
ENDROOT
BRANCH   2   8
ATOM      8  C   LIG    1       -0.985  -1.589   0.052  0.00  0.00    +0.249 C 
ATOM      9  N   LIG    1       -2.257  -1.749   0.557  0.00  0.00    -0.311 N 
ATOM     10  H   LIG    1       -2.363  -1.981   1.533  0.00  0.00    +0.149 HD
ATOM     11  O   LIG    1       -0.769  -1.030  -1.021  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -3.421  -1.231  -0.141  0.00  0.00    +0.109 C 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.594   0.279   0.048  0.00  0.00    +0.056 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.849   0.784  -0.588  0.00  0.00    -0.021 A 
ATOM     15  C   LIG    1       -6.156   0.819  -0.003  0.00  0.00    +0.003 A 
ATOM     16  C   LIG    1       -7.025   1.358  -0.952  0.00  0.00    +0.047 A 
ATOM     17  C   LIG    1       -8.393   1.535  -0.714  0.00  0.00    +0.026 A 
ATOM     18  C   LIG    1       -8.889   1.149   0.534  0.00  0.00    +0.002 A 
ATOM     19  C   LIG    1       -8.049   0.608   1.504  0.00  0.00    +0.001 A 
ATOM     20  N   LIG    1       -6.276   1.646  -2.069  0.00  0.00    -0.360 N 
ATOM     21  H   LIG    1       -6.646   2.051  -2.917  0.00  0.00    +0.165 HD
ATOM     22  C   LIG    1       -6.683   0.438   1.249  0.00  0.00    +0.010 A 
ATOM     23  C   LIG    1       -4.967   1.303  -1.862  0.00  0.00    +0.087 A 
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   9  12
ENDBRANCH   2   8
BRANCH   1  24
ATOM     24  N   LIG    1        2.007  -0.758  -0.032  0.00  0.00    -0.221 N 
ATOM     25  H   LIG    1        1.435  -0.369  -0.792  0.00  0.00    +0.176 HD
BRANCH  24  27
ATOM     26  C   LIG    1        3.768   0.330  -0.873  0.00  0.00    +0.138 C 
ATOM     27  N   LIG    1        3.338  -0.492   0.033  0.00  0.00    -0.189 NA
BRANCH  26  31
ATOM     28  C   LIG    1        7.867   1.520  -1.143  0.00  0.00    +0.120 A 
ATOM     29  C   LIG    1        7.467   0.631  -0.144  0.00  0.00    +0.046 A 
ATOM     30  C   LIG    1        6.128   0.236  -0.049  0.00  0.00    +0.013 A 
ATOM     31  C   LIG    1        5.186   0.732  -0.954  0.00  0.00    -0.005 A 
ATOM     32  C   LIG    1        5.578   1.621  -1.955  0.00  0.00    +0.013 A 
ATOM     33  C   LIG    1        6.917   2.011  -2.044  0.00  0.00    +0.046 A 
BRANCH  28  35
ATOM     34  C   LIG    1       10.143   1.514  -0.458  0.00  0.00    +0.277 C 
ATOM     35  O   LIG    1        9.137   1.984  -1.346  0.00  0.00    -0.495 OA
ENDBRANCH  28  35
ENDBRANCH  26  31
ENDBRANCH  24  27
ENDBRANCH   1  24
TORSDOF 8