REMARK  Name = BDB018638
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.313  -2.688   1.473  0.00  0.00    +0.222 A 
ATOM      2  N   LIG    1       -2.016  -1.758   0.802  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1       -3.130  -2.122   0.151  0.00  0.00    +0.134 A 
ATOM      4  C   LIG    1       -3.567  -3.431   0.209  0.00  0.00    +0.064 A 
ATOM      5  C   LIG    1       -2.823  -4.308   0.961  0.00  0.00    +0.118 A 
ATOM      6  N   LIG    1       -1.705  -3.962   1.610  0.00  0.00    -0.223 NA
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -3.827  -1.136  -0.594  0.00  0.00    -0.232 N 
ATOM      8  C   LIG    1       -3.622   0.328  -0.474  0.00  0.00    +0.061 C 
ATOM      9  C   LIG    1       -2.173   0.881  -0.535  0.00  0.00    +0.028 C 
ATOM     10  C   LIG    1       -1.490   1.240   0.788  0.00  0.00    +0.002 C 
ATOM     11  C   LIG    1       -2.420   1.865   1.813  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -3.654   1.004   2.021  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -4.441   0.892   0.722  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1       -4.326   0.796  -1.780  0.00  0.00    +0.135 C 
ATOM     15  N   LIG    1       -5.346  -0.189  -2.001  0.00  0.00    -0.286 N 
ATOM     16  C   LIG    1       -6.205  -0.136  -3.159  0.00  0.00    +0.133 C 
ATOM     17  C   LIG    1       -4.926  -1.407  -1.448  0.00  0.00    +0.311 C 
ATOM     18  O   LIG    1       -5.437  -2.481  -1.728  0.00  0.00    -0.252 OA
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1       -0.141  -2.360   2.157  0.00  0.00    -0.268 N 
ATOM     20  H   LIG    1        0.176  -3.225   2.573  0.00  0.00    +0.156 HD
BRANCH  19  24
ATOM     21  C   LIG    1        3.178  -0.253   0.610  0.00  0.00    +0.048 A 
ATOM     22  C   LIG    1        2.077  -0.656  -0.150  0.00  0.00    +0.136 A 
ATOM     23  N   LIG    1        0.990  -1.336   0.303  0.00  0.00    -0.238 NA
ATOM     24  C   LIG    1        0.947  -1.658   1.607  0.00  0.00    +0.125 A 
ATOM     25  C   LIG    1        1.993  -1.313   2.456  0.00  0.00    +0.045 A 
ATOM     26  C   LIG    1        3.098  -0.615   1.956  0.00  0.00    +0.028 A 
BRANCH  21  31
ATOM     27  C   LIG    1        7.324   1.900  -2.244  0.00  0.00    +0.105 C 
ATOM     28  N   LIG    1        6.564   2.014  -1.002  0.00  0.00    -0.302 NA
ATOM     29  C   LIG    1        5.146   2.345  -1.253  0.00  0.00    +0.103 C 
ATOM     30  C   LIG    1        4.155   1.157  -1.196  0.00  0.00    +0.120 C 
ATOM     31  N   LIG    1        4.254   0.440   0.087  0.00  0.00    -0.326 N 
ATOM     32  C   LIG    1        5.537   0.548   0.800  0.00  0.00    +0.120 C 
ATOM     33  C   LIG    1        6.697   0.781  -0.197  0.00  0.00    +0.103 C 
ENDBRANCH  21  31
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 4