REMARK  Name = BDB032036
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.822  -1.950   0.845  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1       -0.020  -1.000   0.407  0.00  0.00    -0.195 NA
ATOM      3  C   LIG    1       -1.279  -1.131   0.819  0.00  0.00    +0.167 A 
ATOM      4  N   LIG    1       -2.363  -0.291   0.524  0.00  0.00    -0.271 N 
ATOM      5  C   LIG    1       -3.509  -0.780   1.184  0.00  0.00    +0.331 A 
ATOM      6  N   LIG    1       -3.106  -1.948   1.863  0.00  0.00    -0.292 N 
ATOM      7  C   LIG    1       -3.937  -2.782   2.682  0.00  0.00    +0.154 C 
ATOM      8  O   LIG    1       -4.628  -0.297   1.177  0.00  0.00    -0.246 OA
ATOM      9  C   LIG    1       -1.745  -2.138   1.630  0.00  0.00    +0.107 A 
ATOM     10  C   LIG    1       -0.843  -3.066   2.032  0.00  0.00    +0.144 A 
ATOM     11  N   LIG    1        0.450  -2.986   1.643  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -2.248   0.918  -0.275  0.00  0.00    +0.119 C 
ATOM     13  C   LIG    1       -3.214   0.918  -1.473  0.00  0.00    +0.185 C 
ATOM     14  O   LIG    1       -3.313   2.231  -2.023  0.00  0.00    -0.378 OA
ATOM     15  C   LIG    1       -3.994   3.138  -1.155  0.00  0.00    +0.160 C 
ATOM     16  C   LIG    1       -3.747   2.877   0.331  0.00  0.00    +0.030 C 
ATOM     17  C   LIG    1       -2.407   2.195   0.572  0.00  0.00    +0.030 C 
ENDBRANCH   4  12
BRANCH   1  18
ATOM     18  N   LIG    1        2.169  -1.955   0.490  0.00  0.00    -0.283 N 
ATOM     19  H   LIG    1        2.607  -2.755   0.923  0.00  0.00    +0.155 HD
BRANCH  18  22
ATOM     20  C   LIG    1        4.879  -2.783  -0.156  0.00  0.00    +0.046 C 
ATOM     21  C   LIG    1        4.318  -1.435  -0.527  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1        3.004  -1.054  -0.188  0.00  0.00    +0.039 A 
ATOM     23  C   LIG    1        2.570   0.214  -0.604  0.00  0.00    +0.053 A 
ATOM     24  C   LIG    1        3.383   1.101  -1.302  0.00  0.00    +0.091 A 
ATOM     25  C   LIG    1        4.703   0.715  -1.622  0.00  0.00    +0.090 A 
ATOM     26  N   LIG    1        5.536   1.534  -2.297  0.00  0.00    -0.252 NA
ATOM     27  C   LIG    1        5.037   2.738  -2.648  0.00  0.00    +0.131 A 
ATOM     28  C   LIG    1        3.749   3.119  -2.337  0.00  0.00    +0.131 A 
ATOM     29  N   LIG    1        2.905   2.312  -1.659  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        5.144  -0.539  -1.231  0.00  0.00    +0.035 A 
ENDBRANCH  18  22
ENDBRANCH   1  18
TORSDOF 3