REMARK  Name = BDB014718
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.136   0.566   0.695  0.00  0.00    -0.283 N 
ATOM      2  H   LIG    1       -0.389   1.531   0.536  0.00  0.00    +0.155 HD
ENDROOT
BRANCH   1   8
ATOM      3  C   LIG    1       -6.796   2.262  -0.108  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1       -5.294   2.338  -0.004  0.00  0.00    +0.213 C 
ATOM      5  N   LIG    1       -4.623   1.195   0.413  0.00  0.00    -0.297 N 
ATOM      6  C   LIG    1       -3.164   1.341   0.587  0.00  0.00    +0.148 C 
ATOM      7  C   LIG    1       -2.506   0.015   0.703  0.00  0.00    +0.032 A 
ATOM      8  C   LIG    1       -1.134  -0.349   0.746  0.00  0.00    +0.151 A 
ATOM      9  N   LIG    1       -1.007  -1.670   0.913  0.00  0.00    -0.156 NA
ATOM     10  N   LIG    1       -2.258  -2.154   0.888  0.00  0.00    -0.269 N 
ATOM     11  C   LIG    1       -2.457  -3.579   0.976  0.00  0.00    +0.172 C 
ATOM     12  C   LIG    1       -3.196  -1.175   0.803  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1       -4.669  -1.302   0.784  0.00  0.00    +0.074 C 
ATOM     14  C   LIG    1       -5.286   0.073   1.117  0.00  0.00    +0.114 C 
ATOM     15  O   LIG    1       -4.706   3.381  -0.291  0.00  0.00    -0.276 OA
ENDBRANCH   1   8
BRANCH   1  16
ATOM     16  C   LIG    1        1.196   0.362   0.267  0.00  0.00    +0.124 A 
ATOM     17  N   LIG    1        1.535  -0.682  -0.514  0.00  0.00    -0.240 NA
ATOM     18  C   LIG    1        2.834  -0.820  -0.878  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        3.855   0.050  -0.514  0.00  0.00    +0.003 A 
ATOM     20  C   LIG    1        3.490   1.130   0.287  0.00  0.00    +0.013 A 
ATOM     21  C   LIG    1        2.158   1.286   0.680  0.00  0.00    +0.044 A 
BRANCH  19  22
ATOM     22  C   LIG    1        5.220  -0.163  -0.957  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        6.352   0.321  -0.331  0.00  0.00    +0.116 A 
ATOM     24  N   LIG    1        7.417  -0.121  -1.061  0.00  0.00    -0.274 N 
ATOM     25  C   LIG    1        8.814   0.123  -0.797  0.00  0.00    +0.172 C 
ATOM     26  N   LIG    1        7.065  -0.861  -2.126  0.00  0.00    -0.179 NA
ATOM     27  C   LIG    1        5.731  -0.890  -2.059  0.00  0.00    +0.143 A 
ENDBRANCH  19  22
ENDBRANCH   1  16
TORSDOF 3