REMARK  Name = BDB018722
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -3.855  -0.475  -0.644  0.00  0.00    -0.267 N 
ATOM      2  C   LIG    1       -2.395  -0.789  -0.559  0.00  0.00    +0.151 C 
ATOM      3  C   LIG    1       -1.756   0.315   0.315  0.00  0.00    +0.128 C 
ATOM      4  C   LIG    1       -0.946   1.282  -0.585  0.00  0.00    +0.239 C 
ATOM      5  O   LIG    1       -1.442   2.207  -1.220  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1        0.389   0.987  -0.725  0.00  0.00    -0.299 N 
ATOM      7  H   LIG    1        0.882   1.543  -1.414  0.00  0.00    +0.150 HD
ATOM      8  C   LIG    1        0.930  -0.317  -0.356  0.00  0.00    +0.190 C 
ATOM      9  C   LIG    1        0.357  -0.778   1.010  0.00  0.00    +0.239 C 
ATOM     10  O   LIG    1        0.847  -1.646   1.725  0.00  0.00    -0.273 OA
ATOM     11  N   LIG    1       -0.862  -0.222   1.352  0.00  0.00    -0.298 N 
ATOM     12  H   LIG    1       -1.269  -0.655   2.175  0.00  0.00    +0.150 HD
ATOM     13  C   LIG    1       -2.953   1.027   0.947  0.00  0.00    +0.056 C 
ATOM     14  C   LIG    1       -4.058   0.885  -0.086  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   8  15
ATOM     15  C   LIG    1        2.443  -0.273  -0.385  0.00  0.00    -0.018 A 
ATOM     16  C   LIG    1        3.158   0.584   0.469  0.00  0.00    +0.006 A 
ATOM     17  C   LIG    1        4.552   0.632   0.424  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        5.249  -0.173  -0.474  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        4.554  -1.027  -1.328  0.00  0.00    +0.000 A 
ATOM     20  C   LIG    1        3.159  -1.077  -1.286  0.00  0.00    +0.006 A 
ENDBRANCH   8  15
BRANCH   1  22
ATOM     21  N   LIG    1       -5.377  -1.526  -2.321  0.00  0.00    -0.174 NA
ATOM     22  C   LIG    1       -4.678  -1.036  -1.540  0.00  0.00    +0.169 C 
ENDBRANCH   1  22
TORSDOF 2