REMARK  Name = BDB014404
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.936   0.204   0.481  0.00  0.00    -0.325 N 
ATOM      2  C   LIG    1       -0.067  -0.537   1.288  0.00  0.00    +0.124 C 
ATOM      3  C   LIG    1       -1.499  -0.037   1.002  0.00  0.00    +0.127 C 
ATOM      4  N   LIG    1       -1.810  -0.100  -0.449  0.00  0.00    -0.298 N 
ATOM      5  C   LIG    1       -0.821   0.653  -1.253  0.00  0.00    +0.127 C 
ATOM      6  C   LIG    1        0.623   0.171  -0.972  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.127   0.061  -0.752  0.00  0.00    +0.197 A 
ATOM      8  N   LIG    1       -3.584  -0.100  -2.035  0.00  0.00    -0.326 N 
ATOM      9  H   LIG    1       -3.013  -0.357  -2.824  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.942   0.090  -2.046  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1       -5.266   0.344  -0.716  0.00  0.00    +0.103 A 
ATOM     12  C   LIG    1       -6.614   0.582  -0.374  0.00  0.00    +0.067 A 
ATOM     13  C   LIG    1       -7.582   0.554  -1.392  0.00  0.00    +0.053 A 
ATOM     14  C   LIG    1       -7.212   0.294  -2.707  0.00  0.00    +0.126 A 
ATOM     15  F   LIG    1       -8.156   0.271  -3.657  0.00  0.00    -0.205 F 
ATOM     16  C   LIG    1       -5.887   0.053  -3.073  0.00  0.00    +0.066 A 
ATOM     17  N   LIG    1       -4.126   0.304   0.066  0.00  0.00    -0.214 NA
BRANCH  12  18
ATOM     18  C   LIG    1       -7.037   0.859   1.018  0.00  0.00    +0.244 C 
ATOM     19  O   LIG    1       -8.211   1.066   1.298  0.00  0.00    -0.270 OA
ATOM     20  N   LIG    1       -6.069   0.877   1.978  0.00  0.00    -0.325 N 
ATOM     21  H   LIG    1       -5.093   0.703   1.747  0.00  0.00    +0.145 HD
ATOM     22  H   LIG    1       -6.331   1.062   2.935  0.00  0.00    +0.145 HD
ENDBRANCH  12  18
ENDBRANCH   4   7
BRANCH   1  26
ATOM     23  C   LIG    1        4.963  -0.291   1.365  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        4.620   0.680   0.495  0.00  0.00    -0.230 NA
ATOM     25  C   LIG    1        3.295   0.800   0.246  0.00  0.00    +0.138 A 
ATOM     26  C   LIG    1        2.288   0.008   0.787  0.00  0.00    +0.067 A 
ATOM     27  C   LIG    1        2.787  -0.934   1.677  0.00  0.00    +0.138 A 
ATOM     28  N   LIG    1        4.093  -1.113   1.981  0.00  0.00    -0.230 NA
BRANCH  23  31
ATOM     29  C   LIG    1        7.190   0.120  -0.606  0.00  0.00    +0.132 C 
ATOM     30  N   LIG    1        7.428  -0.136   0.805  0.00  0.00    -0.301 N 
ATOM     31  C   LIG    1        6.422  -0.435   1.743  0.00  0.00    +0.283 C 
ATOM     32  O   LIG    1        6.703  -0.807   2.885  0.00  0.00    -0.267 OA
ATOM     33  C   LIG    1        8.805  -0.049   1.256  0.00  0.00    +0.132 C 
ENDBRANCH  23  31
ENDBRANCH   1  26
TORSDOF 4