REMARK  Name = BDB036173
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        2.283  -0.658  -0.519  0.00  0.00    -0.326 N 
ATOM      2  C   LIG    1        1.392   0.470  -0.844  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.087   0.058  -0.665  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1       -0.516  -1.066  -1.529  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1        0.616  -1.965  -1.838  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1        1.751  -2.006  -0.787  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        6.235  -0.019   0.639  0.00  0.00    +0.125 A 
ATOM      8  N   LIG    1        5.559   1.014   0.072  0.00  0.00    -0.249 NA
ATOM      9  C   LIG    1        4.275   0.755  -0.291  0.00  0.00    +0.134 A 
ATOM     10  C   LIG    1        3.597  -0.463  -0.134  0.00  0.00    +0.048 A 
ATOM     11  C   LIG    1        4.356  -1.480   0.463  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        5.680  -1.268   0.854  0.00  0.00    +0.035 A 
BRANCH   7  16
ATOM     13  C   LIG    1        9.371   2.022   1.171  0.00  0.00    +0.128 C 
ATOM     14  N   LIG    1        8.092   1.526   0.746  0.00  0.00    -0.313 N 
ATOM     15  H   LIG    1        7.389   2.159   0.371  0.00  0.00    +0.149 HD
ATOM     16  C   LIG    1        7.652   0.255   1.048  0.00  0.00    +0.262 C 
ATOM     17  O   LIG    1        8.333  -0.595   1.611  0.00  0.00    -0.269 OA
ENDBRANCH   7  16
ENDBRANCH   1  10
BRANCH   4  18
ATOM     18  C   LIG    1       -1.647  -1.802  -0.937  0.00  0.00    +0.120 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.913  -0.962  -0.814  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -3.596  -0.756   0.410  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1       -3.077  -1.403   1.673  0.00  0.00    +0.044 C 
ATOM     22  C   LIG    1       -4.756   0.071   0.432  0.00  0.00    -0.011 A 
ATOM     23  C   LIG    1       -5.495   0.342   1.717  0.00  0.00    +0.118 C 
ATOM     24  C   LIG    1       -6.563   1.385   1.627  0.00  0.00    +0.181 C 
ATOM     25  C   LIG    1       -7.020   1.782   0.248  0.00  0.00    +0.081 C 
ATOM     26  N   LIG    1       -6.399   1.425  -0.829  0.00  0.00    -0.249 NA
ATOM     27  C   LIG    1       -8.251   2.637   0.162  0.00  0.00    +0.069 C 
ATOM     28  O   LIG    1       -7.106   1.885   2.605  0.00  0.00    -0.290 OA
ATOM     29  C   LIG    1       -5.247   0.632  -0.758  0.00  0.00    +0.068 A 
ATOM     30  C   LIG    1       -4.577   0.395  -1.956  0.00  0.00    +0.028 A 
ATOM     31  C   LIG    1       -3.426  -0.385  -1.987  0.00  0.00    +0.007 A 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 4