REMARK  Name = BDB003841
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.270   0.273  -0.667  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -1.054  -0.909  -0.467  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -2.291   0.011  -0.524  0.00  0.00    +0.087 C 
ATOM      4  C   LIG    1       -3.461  -0.283   0.445  0.00  0.00    +0.232 C 
ATOM      5  O   LIG    1       -3.397  -0.510   1.648  0.00  0.00    -0.274 OA
ATOM      6  N   LIG    1       -4.625  -0.264  -0.281  0.00  0.00    -0.230 N 
ATOM      7  C   LIG    1       -4.436   0.071  -1.600  0.00  0.00    +0.224 C 
ATOM      8  O   LIG    1       -5.308   0.264  -2.434  0.00  0.00    -0.275 OA
ATOM      9  C   LIG    1       -2.956   0.173  -1.887  0.00  0.00    +0.115 C 
ATOM     10  C   LIG    1       -1.297   1.122  -0.128  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1       -5.933  -0.327   0.361  0.00  0.00    +0.170 C 
ATOM     12  C   LIG    1       -6.473   1.097   0.531  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1       -5.758   2.098   0.553  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1       -7.831   1.200   0.733  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1       -8.190   2.138   0.858  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1       -8.773   0.205   0.648  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1       -9.967   0.449   0.793  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1       -8.257  -1.200   0.435  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1       -6.959  -1.199  -0.360  0.00  0.00    +0.041 C 
ENDBRANCH   6  11
BRANCH   1  23
ATOM     20  C   LIG    1        3.806   0.778   0.108  0.00  0.00    +0.077 A 
ATOM     21  C   LIG    1        2.868   1.785   0.274  0.00  0.00    +0.127 A 
ATOM     22  N   LIG    1        1.541   1.635   0.029  0.00  0.00    -0.240 NA
ATOM     23  C   LIG    1        1.101   0.431  -0.397  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        1.984  -0.630  -0.597  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1        3.347  -0.459  -0.340  0.00  0.00    +0.020 A 
BRANCH  20  26
ATOM     26  C   LIG    1        5.223   1.075   0.410  0.00  0.00    +0.341 C 
ATOM     27  O   LIG    1        5.606   2.164   0.799  0.00  0.00    -0.245 OA
BRANCH  26  28
ATOM     28  O   LIG    1        5.982  -0.024   0.190  0.00  0.00    -0.455 OA
BRANCH  28  30
ATOM     29  C   LIG    1        8.102   1.011  -0.519  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        7.416   0.008   0.415  0.00  0.00    +0.106 C 
ATOM     31  C   LIG    1        7.742   0.281   1.888  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1        7.898  -1.406   0.058  0.00  0.00    +0.055 C 
ENDBRANCH  28  30
ENDBRANCH  26  28
ENDBRANCH  20  26
ENDBRANCH   1  23
TORSDOF 5