REMARK  Name = BDB004364
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        5.824  -1.336   2.787  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        4.917  -1.064   2.010  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1        5.118  -0.114   0.906  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1        4.049   0.147   0.064  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1        4.173   1.035  -0.997  0.00  0.00    +0.138 A 
ATOM      6  O   LIG    1        3.149   1.329  -1.860  0.00  0.00    -0.455 OA
ATOM      7  C   LIG    1        1.937   0.710  -1.657  0.00  0.00    +0.138 A 
ATOM      8  C   LIG    1        1.685  -0.200  -0.628  0.00  0.00    +0.045 A 
ATOM      9  C   LIG    1        0.420  -0.785  -0.493  0.00  0.00    +0.018 A 
ATOM     10  C   LIG    1       -0.607  -0.457  -1.390  0.00  0.00    -0.033 A 
ATOM     11  C   LIG    1       -0.343   0.458  -2.421  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        0.920   1.038  -2.554  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.396   1.671  -1.216  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        6.482   1.414  -0.371  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.777  -0.527   0.307  0.00  0.00    +0.106 A 
ATOM     16  N   LIG    1        2.599  -1.368   1.284  0.00  0.00    -0.170 NA
ATOM     17  C   LIG    1        6.345   0.520   0.694  0.00  0.00    +0.014 A 
ATOM     18  N   LIG    1        3.660  -1.619   2.108  0.00  0.00    -0.242 N 
ATOM     19  H   LIG    1        3.500  -2.278   2.863  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  20
ATOM     20  C   LIG    1       -1.979  -1.085  -1.254  0.00  0.00    +0.119 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -3.049  -0.101  -1.029  0.00  0.00    -0.298 NA
ATOM     22  C   LIG    1       -4.386  -0.698  -1.175  0.00  0.00    +0.087 C 
ATOM     23  C   LIG    1       -5.019  -1.117   0.151  0.00  0.00    +0.046 C 
ATOM     24  C   LIG    1       -5.156   0.076   1.099  0.00  0.00    +0.117 C 
ATOM     25  C   LIG    1       -4.180   1.203   0.767  0.00  0.00    +0.046 C 
ATOM     26  C   LIG    1       -2.869   0.631   0.238  0.00  0.00    +0.087 C 
BRANCH  24  27
ATOM     27  O   LIG    1       -6.482   0.601   1.049  0.00  0.00    -0.392 OA
ATOM     28  H   LIG    1       -7.087  -0.096   1.357  0.00  0.00    +0.210 HD
ENDBRANCH  24  27
ENDBRANCH  20  21
ENDBRANCH  10  20
TORSDOF 3