REMARK  Name = BDB016364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.023   1.456  -0.699  0.00  0.00    +0.006 A 
ATOM      2  C   LIG    1       -1.874   0.530  -0.004  0.00  0.00    +0.057 A 
ATOM      3  N   LIG    1       -1.443  -0.803   0.054  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -0.838  -1.040  -0.731  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.295  -1.924   0.413  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1       -2.778  -1.801   1.836  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1       -3.950  -0.890   1.980  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1       -3.948   0.351   1.438  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1       -4.780   0.856   1.721  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -4.927  -1.231   2.653  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1       -3.366  -2.199  -0.640  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -3.027   1.049   0.633  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1       -3.361   2.410   0.469  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -2.557   3.283  -0.253  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1       -1.387   2.810  -0.821  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  20
ATOM     16  C   LIG    1        2.549   0.286  -1.130  0.00  0.00    +0.161 A 
ATOM     17  C   LIG    1        2.597   0.259  -2.536  0.00  0.00    +0.158 A 
ATOM     18  N   LIG    1        1.554   0.601  -3.313  0.00  0.00    -0.236 NA
ATOM     19  C   LIG    1        0.417   0.984  -2.692  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1        0.254   1.042  -1.311  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        1.358   0.683  -0.525  0.00  0.00    +0.059 A 
BRANCH  17  22
ATOM     22  N   LIG    1        3.782  -0.140  -3.189  0.00  0.00    -0.340 N 
ATOM     23  H   LIG    1        4.524   0.474  -2.864  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        4.020  -1.065  -2.839  0.00  0.00    +0.144 HD
ENDBRANCH  17  22
BRANCH  16  25
ATOM     25  O   LIG    1        3.692  -0.103  -0.481  0.00  0.00    -0.486 OA
BRANCH  25  27
ATOM     26  C   LIG    1        3.203  -1.295   1.572  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1        3.753  -0.016   0.947  0.00  0.00    +0.167 C 
ATOM     28  C   LIG    1        5.228   0.147   1.310  0.00  0.00    +0.051 C 
ENDBRANCH  25  27
ENDBRANCH  16  25
ENDBRANCH   1  20
TORSDOF 4