REMARK  Name = BDB006078
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.074  -2.136  -0.291  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -4.968  -1.727   0.045  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -4.526  -0.367  -0.291  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -3.266   0.024   0.123  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -2.748   1.297  -0.143  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -1.460   1.706   0.275  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -0.742   0.833   0.934  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -1.206  -0.432   1.230  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -0.617  -1.070   1.746  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -3.552   2.188  -0.857  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -4.833   1.809  -1.285  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -2.431  -0.920   0.870  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -2.823  -2.124   1.168  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -5.324   0.529  -1.003  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -4.072  -2.501   0.754  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -4.363  -3.444   0.993  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1        0.666   1.222   1.390  0.00  0.00    +0.159 C 
BRANCH  17  18
ATOM     18  N   LIG    1        1.646   0.872   0.361  0.00  0.00    -0.287 NA
ATOM     19  C   LIG    1        2.973   1.472   0.622  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1        3.950   0.491   0.059  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1        3.294  -0.708  -0.216  0.00  0.00    -0.029 A 
ATOM     22  C   LIG    1        3.977  -1.800  -0.721  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        5.347  -1.668  -0.957  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1        6.009  -0.460  -0.680  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.309   0.633  -0.163  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        1.852  -0.577   0.155  0.00  0.00    +0.120 C 
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 2