REMARK  Name = BDB053267
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.989  -0.146  -0.348  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.678   0.148  -0.215  0.00  0.00    -0.216 NA
ATOM      3  C   LIG    1       -1.004   0.728  -1.236  0.00  0.00    +0.139 A 
ATOM      4  C   LIG    1       -1.643   1.038  -2.444  0.00  0.00    +0.094 A 
ATOM      5  C   LIG    1       -2.999   0.711  -2.601  0.00  0.00    -0.027 A 
ATOM      6  C   LIG    1       -3.742   0.986  -3.880  0.00  0.00    +0.045 C 
ATOM      7  C   LIG    1       -3.666   0.104  -1.531  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   1   8
ATOM      8  N   LIG    1       -3.562  -0.746   0.776  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -2.811  -0.885   1.448  0.00  0.00    +0.155 HD
BRANCH   8  15
ATOM     10  C   LIG    1       -8.500  -0.639   1.575  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -7.036  -0.871   1.594  0.00  0.00    +0.062 A 
ATOM     12  N   LIG    1       -6.488  -1.643   2.539  0.00  0.00    -0.178 NA
ATOM     13  N   LIG    1       -5.176  -1.607   2.256  0.00  0.00    -0.264 N 
ATOM     14  H   LIG    1       -4.545  -2.132   2.849  0.00  0.00    +0.190 HD
ATOM     15  C   LIG    1       -4.856  -0.858   1.153  0.00  0.00    +0.120 A 
ATOM     16  C   LIG    1       -6.058  -0.357   0.708  0.00  0.00    +0.068 A 
ENDBRANCH   8  15
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.349   1.070  -1.042  0.00  0.00    -0.328 N 
ATOM     18  H   LIG    1        0.909   0.735  -1.822  0.00  0.00    +0.147 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.920   0.674   0.246  0.00  0.00    +0.103 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.357   1.188   0.375  0.00  0.00    +0.019 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.341   0.444  -0.535  0.00  0.00    +0.002 C 
BRANCH  21  22
ATOM     22  C   LIG    1        4.790   0.912  -0.378  0.00  0.00    +0.003 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.431   0.750   1.009  0.00  0.00    +0.034 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.529  -0.680   1.581  0.00  0.00    +0.061 C 
ATOM     25  C   LIG    1        6.319  -0.647   2.896  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1        6.185  -1.659   0.606  0.00  0.00    +0.041 C 
BRANCH  24  27
ATOM     27  O   LIG    1        4.216  -1.153   1.888  0.00  0.00    -0.389 OA
ATOM     28  H   LIG    1        4.300  -2.047   2.262  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
BRANCH   4  29
ATOM     29  C   LIG    1       -0.917   1.667  -3.509  0.00  0.00    +0.103 C 
ATOM     30  N   LIG    1       -0.342   2.148  -4.396  0.00  0.00    -0.191 NA
ENDBRANCH   4  29
TORSDOF 11