REMARK  Name = BDB016074
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.584   2.070   0.269  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.219   1.015   0.030  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.537   1.133   0.295  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.077   2.328   0.776  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -1.165   3.346   0.988  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.159   3.248   0.753  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        3.914   0.514  -0.763  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.546   0.693  -0.502  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.026   1.909  -0.009  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        2.940   2.955   0.211  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.303   2.797  -0.048  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.787   1.582  -0.531  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        6.785  -3.421  -1.740  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.680  -2.495  -1.683  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        4.522  -2.809  -2.291  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        3.744  -1.752  -2.042  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.395  -0.760  -1.270  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        5.654  -1.283  -1.055  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.480   2.548   1.069  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -4.532   2.202   0.247  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.667   2.607   0.883  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -7.025   2.452   0.421  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.431   3.218   2.059  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.101   3.182   2.169  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -2.372   0.024   0.043  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -2.949  -0.128   0.875  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.688  -1.227  -0.288  0.00  0.00    +0.100 C 
ATOM     28  C   LIG    1       -1.102  -1.919   0.956  0.00  0.00    +0.135 C 
ATOM     29  C   LIG    1       -0.926  -3.356   0.487  0.00  0.00    +0.033 C 
ATOM     30  C   LIG    1       -2.127  -3.623  -0.424  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -2.702  -2.256  -0.800  0.00  0.00    +0.025 C 
BRANCH  28  32
ATOM     32  O   LIG    1       -2.042  -1.880   2.039  0.00  0.00    -0.390 OA
ATOM     33  H   LIG    1       -1.615  -2.317   2.797  0.00  0.00    +0.210 HD
ENDBRANCH  28  32
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6