REMARK  Name = BDB036994
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.575  -0.025   0.525  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        1.951   0.102   0.357  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        2.967  -0.922   0.114  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1        4.176  -0.283   0.046  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1        4.026   1.070   0.155  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1        4.867   1.942   0.061  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1        2.721  -2.109   0.000  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.605   1.322   0.379  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        1.935   2.510   0.573  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1        0.555   2.428   0.757  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -0.110   1.179   0.739  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1        5.416  -0.966  -0.299  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1        5.747  -0.676  -1.766  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1        4.894  -0.616  -2.651  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        7.073  -0.511  -2.064  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1        7.274  -0.388  -3.048  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1        7.959   0.152  -1.258  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1        8.987   0.637  -1.724  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1        7.564   0.340   0.185  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1        6.582  -0.719   0.660  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  21
ATOM     21  N   LIG    1       -0.023  -1.298   0.539  0.00  0.00    -0.337 N 
ATOM     22  H   LIG    1        0.630  -2.028   0.227  0.00  0.00    +0.146 HD
BRANCH  21  26
ATOM     23  C   LIG    1       -4.457  -0.317   0.739  0.00  0.00    +0.403 C 
ATOM     24  N   LIG    1       -3.140  -0.653   0.658  0.00  0.00    -0.264 N 
ATOM     25  C   LIG    1       -2.283  -1.234   1.675  0.00  0.00    +0.135 C 
ATOM     26  C   LIG    1       -1.392  -1.736   0.531  0.00  0.00    +0.105 C 
ATOM     27  C   LIG    1       -2.329  -1.055  -0.476  0.00  0.00    +0.135 C 
ATOM     28  O   LIG    1       -5.074  -0.247   1.793  0.00  0.00    -0.226 OA
BRANCH  23  29
ATOM     29  O   LIG    1       -4.969  -0.069  -0.492  0.00  0.00    -0.445 OA
BRANCH  29  31
ATOM     30  C   LIG    1       -6.653   1.651   0.034  0.00  0.00    +0.055 C 
ATOM     31  C   LIG    1       -6.358   0.316  -0.657  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1       -7.304  -0.795  -0.187  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1       -6.533   0.499  -2.173  0.00  0.00    +0.055 C 
ENDBRANCH  29  31
ENDBRANCH  23  29
ENDBRANCH  21  26
ENDBRANCH   1  21
TORSDOF 5