REMARK  Name = BDB001957
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.317  -2.016   0.456  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        1.487  -1.410   0.328  0.00  0.00    -0.181 NA
ATOM      3  C   LIG    1        1.550  -0.163   0.770  0.00  0.00    +0.225 A 
ATOM      4  N   LIG    1        0.515   0.485   1.294  0.00  0.00    -0.181 NA
ATOM      5  C   LIG    1       -0.615  -0.200   1.381  0.00  0.00    +0.221 A 
ATOM      6  N   LIG    1       -0.763  -1.448   0.965  0.00  0.00    -0.181 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        0.929  -3.689  -1.136  0.00  0.00    +0.128 C 
ATOM      8  N   LIG    1        0.159  -3.332   0.034  0.00  0.00    -0.316 N 
ATOM      9  H   LIG    1       -0.840  -3.494  -0.033  0.00  0.00    +0.149 HD
ENDBRANCH   1   8
BRANCH   3  10
ATOM     10  N   LIG    1        2.725   0.585   0.686  0.00  0.00    -0.283 N 
ATOM     11  H   LIG    1        2.561   1.497   1.089  0.00  0.00    +0.155 HD
BRANCH  10  12
ATOM     12  C   LIG    1        4.041   0.284   0.321  0.00  0.00    +0.034 A 
ATOM     13  C   LIG    1        4.975   1.329   0.252  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        6.310   1.106  -0.142  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        6.738  -0.189  -0.489  0.00  0.00    +0.071 A 
ATOM     16  N   LIG    1        8.000  -0.454  -0.873  0.00  0.00    -0.255 NA
ATOM     17  C   LIG    1        8.876   0.573  -0.921  0.00  0.00    +0.111 A 
ATOM     18  C   LIG    1        8.553   1.878  -0.601  0.00  0.00    +0.020 A 
ATOM     19  C   LIG    1        5.809  -1.214  -0.430  0.00  0.00    +0.030 A 
ATOM     20  C   LIG    1        7.248   2.146  -0.206  0.00  0.00    +0.011 A 
ATOM     21  C   LIG    1        4.481  -0.989  -0.038  0.00  0.00    +0.025 A 
ENDBRANCH  10  12
ENDBRANCH   3  10
BRANCH   5  22
ATOM     22  N   LIG    1       -1.683   0.484   1.938  0.00  0.00    -0.313 N 
ATOM     23  H   LIG    1       -1.466   1.474   1.930  0.00  0.00    +0.149 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -3.021   0.127   1.484  0.00  0.00    +0.109 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.285   0.595   0.048  0.00  0.00    +0.057 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.693   0.270  -0.402  0.00  0.00    -0.004 A 
ATOM     27  C   LIG    1       -5.785   1.081  -0.038  0.00  0.00    +0.123 A 
ATOM     28  C   LIG    1       -7.071   0.733  -0.462  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1       -7.277  -0.411  -1.237  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1       -6.200  -1.219  -1.591  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -4.915  -0.882  -1.175  0.00  0.00    +0.007 A 
BRANCH  27  32
ATOM     32  O   LIG    1       -5.483   2.175   0.730  0.00  0.00    -0.495 OA
ATOM     33  C   LIG    1       -6.560   3.020   1.115  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  22  24
ENDBRANCH   5  22
TORSDOF 8