REMARK  Name = BDB031509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.083  -0.126   0.619  0.00  0.00    -0.288 NA
ATOM      2  C   LIG    1       -0.363  -0.529  -0.739  0.00  0.00    +0.096 C 
ATOM      3  C   LIG    1       -0.308  -2.043  -0.904  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -1.753   0.114  -0.473  0.00  0.00    +0.204 C 
ATOM      5  C   LIG    1       -1.314   0.153   1.008  0.00  0.00    +0.131 C 
ENDROOT
BRANCH   1   6
ATOM      6  C   LIG    1        0.870   1.118   0.580  0.00  0.00    +0.121 C 
BRANCH   6  16
ATOM      7  C   LIG    1        7.049  -0.539  -0.673  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1        6.506  -1.495   0.349  0.00  0.00    +0.252 A 
ATOM      9  O   LIG    1        7.185  -2.407   0.809  0.00  0.00    -0.268 OA
ATOM     10  N   LIG    1        5.208  -1.306   0.752  0.00  0.00    -0.321 N 
ATOM     11  H   LIG    1        4.857  -1.956   1.441  0.00  0.00    +0.169 HD
ATOM     12  C   LIG    1        4.389  -0.291   0.246  0.00  0.00    +0.068 A 
ATOM     13  C   LIG    1        4.884   0.589  -0.713  0.00  0.00    +0.088 A 
ATOM     14  N   LIG    1        4.163   1.595  -1.253  0.00  0.00    -0.253 NA
ATOM     15  C   LIG    1        2.889   1.719  -0.814  0.00  0.00    +0.116 A 
ATOM     16  C   LIG    1        2.294   0.886   0.135  0.00  0.00    -0.013 A 
ATOM     17  C   LIG    1        3.079  -0.138   0.681  0.00  0.00    +0.034 A 
ATOM     18  C   LIG    1        6.260   0.431  -1.170  0.00  0.00    +0.038 A 
BRANCH   7  20
ATOM     19  C   LIG    1        9.479  -0.222  -0.116  0.00  0.00    +0.009 C 
ATOM     20  C   LIG    1        8.467  -0.748  -1.125  0.00  0.00    +0.037 C 
ENDBRANCH   7  20
ENDBRANCH   6  16
ENDBRANCH   1   6
BRANCH   4  21
ATOM     21  O   LIG    1       -2.904  -0.692  -0.815  0.00  0.00    -0.484 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -4.151  -0.245  -0.474  0.00  0.00    +0.139 A 
ATOM     23  C   LIG    1       -4.466   1.009   0.031  0.00  0.00    +0.157 A 
ATOM     24  N   LIG    1       -5.720   1.402   0.355  0.00  0.00    -0.247 NA
ATOM     25  C   LIG    1       -6.718   0.504   0.155  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1       -6.502  -0.771  -0.359  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1       -5.196  -1.143  -0.674  0.00  0.00    +0.049 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -8.103   0.961   0.513  0.00  0.00    +0.262 C 
ATOM     29  N   LIG    1       -8.934  -0.004   1.066  0.00  0.00    -0.313 N 
ATOM     30  H   LIG    1       -8.512  -0.845   1.437  0.00  0.00    +0.149 HD
ATOM     31  C   LIG    1      -10.235   0.367   1.566  0.00  0.00    +0.128 C 
ATOM     32  O   LIG    1       -8.455   2.122   0.336  0.00  0.00    -0.269 OA
ENDBRANCH  25  28
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6