REMARK  Name = BDB028532
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.197   1.060  -0.345  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.190   0.131   0.459  0.00  0.00    +0.302 C 
ATOM      3  N   LIG    1       -2.219  -0.104   1.357  0.00  0.00    -0.285 N 
ATOM      4  C   LIG    1       -3.226   0.940   1.542  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -4.661   0.375   1.521  0.00  0.00    +0.010 C 
ATOM      6  C   LIG    1       -4.744  -0.718   2.610  0.00  0.00    +0.007 C 
ATOM      7  C   LIG    1       -3.687  -1.803   2.416  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1       -2.281  -1.219   2.303  0.00  0.00    +0.109 C 
ATOM      9  N   LIG    1       -0.155  -0.765   0.510  0.00  0.00    -0.297 N 
ATOM     10  H   LIG    1        0.091  -1.069   1.442  0.00  0.00    +0.150 HD
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -5.104  -0.113   0.104  0.00  0.00    -0.002 C 
ATOM     12  C   LIG    1       -6.580  -0.571   0.051  0.00  0.00    +0.032 C 
ATOM     13  C   LIG    1       -7.480   0.494  -0.564  0.00  0.00    +0.160 C 
ATOM     14  O   LIG    1       -7.126   0.807  -1.909  0.00  0.00    -0.380 OA
ATOM     15  C   LIG    1       -5.732   0.712  -2.201  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -4.856   0.958  -0.982  0.00  0.00    +0.032 C 
ENDBRANCH   5  11
BRANCH   9  17
ATOM     17  C   LIG    1        1.005  -0.576  -0.347  0.00  0.00    +0.138 C 
BRANCH  17  18
ATOM     18  C   LIG    1        1.957  -1.769  -0.238  0.00  0.00    +0.146 C 
BRANCH  18  19
ATOM     19  O   LIG    1        2.468  -1.828   1.108  0.00  0.00    -0.389 OA
ATOM     20  H   LIG    1        3.232  -1.213   1.102  0.00  0.00    +0.210 HD
ENDBRANCH  18  19
BRANCH  18  21
ATOM     21  C   LIG    1        3.148  -1.711  -1.218  0.00  0.00    +0.117 C 
BRANCH  21  22
ATOM     22  N   LIG    1        4.104  -0.648  -0.836  0.00  0.00    -0.295 NA
ATOM     23  C   LIG    1        5.496  -1.140  -0.942  0.00  0.00    +0.120 C 
ATOM     24  C   LIG    1        6.535  -0.069  -0.684  0.00  0.00    -0.030 A 
ATOM     25  C   LIG    1        6.215   1.294  -0.825  0.00  0.00    -0.042 A 
ATOM     26  C   LIG    1        7.200   2.267  -0.610  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        8.502   1.889  -0.282  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.827   0.540  -0.162  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.801   1.705  -1.145  0.00  0.00    +0.051 C 
ATOM     30  C   LIG    1        7.850  -0.435  -0.365  0.00  0.00    +0.005 A 
ATOM     31  C   LIG    1        3.962   0.543  -1.695  0.00  0.00    +0.089 C 
ENDBRANCH  21  22
ENDBRANCH  18  21
ENDBRANCH  17  18
ENDBRANCH   9  17
TORSDOF 6