REMARK  Name = BDB018392
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.109   4.407  -0.166  0.00  0.00    +0.152 C 
ATOM      2  N   LIG    1       -3.490   3.092  -0.224  0.00  0.00    -0.318 N 
ATOM      3  C   LIG    1       -4.296   1.963  -0.270  0.00  0.00    +0.252 A 
ATOM      4  O   LIG    1       -5.523   1.970  -0.273  0.00  0.00    -0.268 OA
ATOM      5  C   LIG    1       -3.583   0.664  -0.327  0.00  0.00    +0.079 A 
ATOM      6  C   LIG    1       -2.239   0.587  -0.313  0.00  0.00    -0.003 A 
ATOM      7  C   LIG    1       -1.449   1.837  -0.244  0.00  0.00    +0.009 A 
ATOM      8  C   LIG    1       -2.109   3.010  -0.210  0.00  0.00    +0.098 A 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -1.630  -0.752  -0.408  0.00  0.00    -0.011 A 
ATOM     10  C   LIG    1       -1.653  -1.568   0.665  0.00  0.00    +0.078 A 
ATOM     11  C   LIG    1       -0.978  -2.889   0.628  0.00  0.00    +0.249 A 
ATOM     12  O   LIG    1       -0.964  -3.621   1.611  0.00  0.00    -0.268 OA
ATOM     13  N   LIG    1       -0.373  -3.221  -0.556  0.00  0.00    -0.329 N 
ATOM     14  H   LIG    1        0.111  -4.110  -0.574  0.00  0.00    +0.168 HD
ATOM     15  C   LIG    1       -0.345  -2.402  -1.653  0.00  0.00    +0.086 A 
ATOM     16  C   LIG    1       -0.946  -1.208  -1.615  0.00  0.00    +0.026 A 
ENDBRANCH   6   9
BRANCH   7  17
ATOM     17  C   LIG    1       -0.016   1.807  -0.226  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1        0.776   1.108   0.656  0.00  0.00    +0.117 A 
ATOM     19  N   LIG    1        2.064   1.288   0.231  0.00  0.00    -0.267 N 
ATOM     20  N   LIG    1        2.166   2.153  -0.803  0.00  0.00    -0.179 NA
ATOM     21  C   LIG    1        0.895   2.451  -1.089  0.00  0.00    +0.143 A 
BRANCH  19  22
ATOM     22  C   LIG    1        3.252   0.654   0.785  0.00  0.00    +0.178 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.329  -0.801   0.392  0.00  0.00    -0.026 A 
ATOM     24  C   LIG    1        2.941  -1.808   1.289  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1        2.999  -3.151   0.913  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        3.443  -3.502  -0.361  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        3.824  -2.511  -1.263  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        3.764  -1.167  -0.890  0.00  0.00    +0.005 A 
ENDBRANCH  22  23
ENDBRANCH  19  22
ENDBRANCH   7  17
TORSDOF 4