REMARK  Name = BDB058124
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.448  -0.176   0.097  0.00  0.00    -0.313 N 
ATOM      2  C   LIG    1       -4.244  -1.188  -0.481  0.00  0.00    +0.275 A 
ATOM      3  O   LIG    1       -5.464  -1.254  -0.361  0.00  0.00    -0.265 OA
ATOM      4  C   LIG    1       -3.482  -2.150  -1.237  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.117  -2.105  -1.414  0.00  0.00    +0.014 A 
ATOM      6  C   LIG    1       -1.738  -3.216  -2.194  0.00  0.00    +0.028 A 
ATOM      7  C   LIG    1       -2.898  -3.911  -2.483  0.00  0.00    +0.084 A 
ATOM      8  C   LIG    1       -1.378  -1.034  -0.817  0.00  0.00    +0.008 A 
ATOM      9  N   LIG    1       -3.953  -3.253  -1.896  0.00  0.00    -0.356 N 
ATOM     10  H   LIG    1       -4.927  -3.530  -1.929  0.00  0.00    +0.165 HD
ATOM     11  C   LIG    1       -2.061  -0.116  -0.093  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   8  12
ATOM     12  C   LIG    1        0.079  -0.836  -0.965  0.00  0.00    -0.015 A 
ATOM     13  C   LIG    1        0.936  -0.975   0.133  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        2.310  -0.773  -0.031  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        2.846  -0.474  -1.287  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.995  -0.338  -2.382  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        0.618  -0.514  -2.220  0.00  0.00    +0.008 A 
BRANCH  14  18
ATOM     18  C   LIG    1        3.197  -0.937   1.136  0.00  0.00    +0.247 C 
ATOM     19  N   LIG    1        3.852   0.185   1.651  0.00  0.00    -0.298 N 
ATOM     20  O   LIG    1        3.306  -2.068   1.603  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.735  -0.023   2.799  0.00  0.00    +0.104 C 
ATOM     22  C   LIG    1        3.979  -0.005   4.119  0.00  0.00    +0.024 C 
ENDBRANCH  19  21
BRANCH  19  23
ATOM     23  C   LIG    1        3.555   1.570   1.270  0.00  0.00    +0.104 C 
ATOM     24  C   LIG    1        4.675   2.200   0.456  0.00  0.00    +0.024 C 
ENDBRANCH  19  23
ENDBRANCH  14  18
ENDBRANCH   8  12
BRANCH   1  25
ATOM     25  C   LIG    1       -4.118   0.877   0.859  0.00  0.00    +0.129 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.716   1.977  -0.030  0.00  0.00    +0.048 C 
BRANCH  26  28
ATOM     27  C   LIG    1       -3.463   2.959  -1.974  0.00  0.00    +0.004 C 
ATOM     28  C   LIG    1       -3.674   2.866  -0.655  0.00  0.00    -0.033 C 
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7