REMARK  Name = BDB001796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.172  -1.004   0.641  0.00  0.00    +0.255 C 
ATOM      2  N   LIG    1       -1.222  -1.130   0.684  0.00  0.00    -0.166 N 
ATOM      3  C   LIG    1       -1.981  -2.140   1.260  0.00  0.00    +0.219 A 
ATOM      4  N   LIG    1       -3.252  -1.855   1.136  0.00  0.00    -0.193 NA
ATOM      5  C   LIG    1       -3.266  -0.666   0.449  0.00  0.00    +0.185 A 
ATOM      6  N   LIG    1       -2.049  -0.188   0.150  0.00  0.00    -0.141 NA
ATOM      7  O   LIG    1        0.870  -1.840   1.205  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -4.508   0.000   0.089  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -5.738  -0.552   0.430  0.00  0.00    +0.122 A 
ATOM     10  N   LIG    1       -6.939   0.008   0.133  0.00  0.00    -0.263 NA
ATOM     11  C   LIG    1       -6.912   1.177  -0.540  0.00  0.00    +0.111 A 
ATOM     12  C   LIG    1       -5.744   1.812  -0.929  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -4.526   1.213  -0.608  0.00  0.00    +0.014 A 
ENDBRANCH   5   8
BRANCH   3  14
ATOM     14  N   LIG    1       -1.464  -3.237   1.843  0.00  0.00    -0.327 N 
ATOM     15  H   LIG    1       -2.065  -3.792   2.444  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1       -0.471  -3.272   2.081  0.00  0.00    +0.145 HD
ENDBRANCH   3  14
BRANCH   1  17
ATOM     17  C   LIG    1        0.646   0.218  -0.115  0.00  0.00    +0.136 C 
BRANCH  17  21
ATOM     18  C   LIG    1        4.959   0.486  -0.369  0.00  0.00    +0.120 A 
ATOM     19  C   LIG    1        4.226  -0.145  -1.376  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        2.834  -0.232  -1.300  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        2.151   0.320  -0.210  0.00  0.00    -0.038 A 
ATOM     22  C   LIG    1        2.889   0.947   0.803  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        4.284   1.031   0.723  0.00  0.00    +0.046 A 
BRANCH  18  25
ATOM     24  C   LIG    1        7.105   1.105   0.444  0.00  0.00    +0.277 C 
ATOM     25  O   LIG    1        6.312   0.501  -0.570  0.00  0.00    -0.495 OA
ENDBRANCH  18  25
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 5