REMARK  Name = BDB018386
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.358   0.642   0.689  0.00  0.00    +0.046 A 
ATOM      2  C   LIG    1        0.493   1.642   0.126  0.00  0.00    +0.155 A 
ATOM      3  N   LIG    1        1.690   1.630   0.714  0.00  0.00    -0.155 NA
ATOM      4  N   LIG    1        1.637   0.615   1.590  0.00  0.00    -0.265 N 
ATOM      5  C   LIG    1        0.415   0.009   1.641  0.00  0.00    +0.119 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.225   0.075  -0.961  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.734   0.320   0.405  0.00  0.00    +0.045 A 
ATOM      8  C   LIG    1       -2.624   0.217   1.413  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -3.955  -0.105   1.214  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -4.830  -0.190   2.373  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.471  -0.360  -0.048  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -5.638  -0.656  -0.290  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.511  -0.251  -1.173  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -1.262   0.206  -1.937  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -1.395  -1.688  -3.456  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -1.531  -0.185  -3.284  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   2  17
ATOM     17  N   LIG    1        0.123   2.515  -0.878  0.00  0.00    -0.269 N 
ATOM     18  H   LIG    1       -0.787   2.338  -1.276  0.00  0.00    +0.156 HD
ATOM     19  C   LIG    1        0.927   3.480  -1.444  0.00  0.00    +0.215 C 
ATOM     20  O   LIG    1        2.081   3.775  -1.153  0.00  0.00    -0.276 OA
ATOM     21  C   LIG    1        0.225   4.196  -2.573  0.00  0.00    +0.109 C 
ENDBRANCH   2  17
BRANCH   4  22
ATOM     22  C   LIG    1        2.803   0.300   2.405  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.476  -0.971   1.947  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        3.474  -2.116   2.756  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        4.101  -3.287   2.325  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        4.735  -3.325   1.085  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        4.745  -2.193   0.273  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        4.121  -1.021   0.701  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6