REMARK  Name = BDB016368
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.264   1.414   2.576  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -2.832   1.764   1.203  0.00  0.00    +0.076 C 
ATOM      3  N   LIG    1       -2.135   1.081   0.128  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1       -1.212   1.480  -0.036  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1       -2.166  -0.302  -0.085  0.00  0.00    +0.057 A 
ATOM      6  C   LIG    1       -3.164  -1.183   0.397  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1       -3.071  -2.563   0.117  0.00  0.00    +0.025 A 
ATOM      8  C   LIG    1       -2.053  -3.087  -0.670  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -1.103  -2.233  -1.201  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -4.291  -0.855   1.176  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -4.841  -1.629   1.528  0.00  0.00    +0.155 HD
ATOM     12  C   LIG    1       -4.850   0.321   1.547  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1       -5.854   0.285   2.267  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1       -1.145  -0.853  -0.932  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1       -4.326   1.625   1.048  0.00  0.00    +0.118 C 
ENDROOT
BRANCH  14  16
ATOM     16  C   LIG    1       -0.092  -0.016  -1.543  0.00  0.00    -0.015 A 
ATOM     17  C   LIG    1        1.208  -0.003  -1.012  0.00  0.00    +0.021 A 
ATOM     18  C   LIG    1        2.205   0.796  -1.588  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        1.897   1.607  -2.686  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        0.611   1.599  -3.223  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -0.375   0.789  -2.658  0.00  0.00    +0.008 A 
BRANCH  18  22
ATOM     22  C   LIG    1        3.590   0.841  -1.043  0.00  0.00    +0.244 C 
ATOM     23  N   LIG    1        4.047  -0.322  -0.450  0.00  0.00    -0.308 N 
ATOM     24  H   LIG    1        3.509  -1.173  -0.551  0.00  0.00    +0.149 HD
ATOM     25  O   LIG    1        4.261   1.860  -1.161  0.00  0.00    -0.270 OA
BRANCH  23  26
ATOM     26  C   LIG    1        5.370  -0.428   0.079  0.00  0.00    +0.073 C 
ATOM     27  C   LIG    1        5.615  -0.245   1.551  0.00  0.00    +0.024 C 
ATOM     28  C   LIG    1        5.761  -1.604   0.932  0.00  0.00    +0.024 C 
ENDBRANCH  23  26
ENDBRANCH  18  22
ENDBRANCH  14  16
TORSDOF 3