REMARK  Name = BDB052936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.454   1.054   0.228  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        3.522   0.042   0.005  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        2.129   0.312   0.067  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1        1.678   1.605   0.354  0.00  0.00    +0.077 A 
ATOM      5  N   LIG    1        0.381   1.927   0.427  0.00  0.00    -0.214 NA
ATOM      6  C   LIG    1       -0.524   0.965   0.215  0.00  0.00    +0.222 A 
ATOM      7  N   LIG    1       -0.200  -0.307  -0.066  0.00  0.00    -0.219 NA
ATOM      8  C   LIG    1        2.622   2.598   0.572  0.00  0.00    +0.032 A 
ATOM      9  C   LIG    1        1.112  -0.626  -0.139  0.00  0.00    +0.051 A 
ATOM     10  C   LIG    1        1.407  -2.064  -0.457  0.00  0.00    +0.066 C 
ATOM     11  C   LIG    1        3.994   2.335   0.512  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  12
ATOM     12  N   LIG    1       -1.852   1.344   0.301  0.00  0.00    -0.254 N 
ATOM     13  H   LIG    1       -1.967   2.321   0.518  0.00  0.00    +0.158 HD
BRANCH  12  14
ATOM     14  C   LIG    1       -2.976   0.601   0.139  0.00  0.00    +0.203 A 
ATOM     15  N   LIG    1       -2.873  -0.735  -0.157  0.00  0.00    -0.294 N 
ATOM     16  H   LIG    1       -1.943  -1.130  -0.245  0.00  0.00    +0.172 HD
ATOM     17  C   LIG    1       -3.933  -1.582  -0.343  0.00  0.00    +0.260 A 
ATOM     18  O   LIG    1       -3.795  -2.771  -0.606  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1       -5.259  -0.962  -0.203  0.00  0.00    +0.065 A 
ATOM     20  C   LIG    1       -5.297   0.401   0.098  0.00  0.00    +0.080 A 
ATOM     21  C   LIG    1       -6.544   1.016   0.236  0.00  0.00    +0.028 A 
ATOM     22  C   LIG    1       -7.723   0.282   0.075  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -7.666  -1.079  -0.226  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -6.430  -1.708  -0.367  0.00  0.00    +0.015 A 
ATOM     25  N   LIG    1       -4.137   1.175   0.268  0.00  0.00    -0.216 NA
ENDBRANCH  12  14
ENDBRANCH   6  12
BRANCH   1  26
ATOM     26  O   LIG    1        5.812   0.925   0.197  0.00  0.00    -0.492 OA
BRANCH  26  28
ATOM     27  C   LIG    1        7.859  -0.266  -0.069  0.00  0.00    +0.048 C 
ATOM     28  C   LIG    1        6.344  -0.367  -0.089  0.00  0.00    +0.225 C 
ENDBRANCH  26  28
ENDBRANCH   1  26
TORSDOF 4