REMARK  Name = BDB018466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.315   0.721   0.377  0.00  0.00    -0.238 N 
ATOM      2  N   LIG    1        1.185   1.834   1.151  0.00  0.00    -0.174 NA
ATOM      3  C   LIG    1       -0.105   2.158   1.069  0.00  0.00    +0.143 A 
ATOM      4  C   LIG    1       -0.817   1.324   0.190  0.00  0.00    +0.022 A 
ATOM      5  C   LIG    1        0.126   0.431  -0.265  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -2.188   1.418  -0.221  0.00  0.00    +0.009 A 
ATOM      7  C   LIG    1       -3.087   0.252  -0.260  0.00  0.00    -0.004 A 
ATOM      8  C   LIG    1       -4.360   0.401  -0.674  0.00  0.00    +0.079 A 
ATOM      9  C   LIG    1       -4.890   1.716  -1.106  0.00  0.00    +0.252 A 
ATOM     10  O   LIG    1       -6.052   1.795  -1.493  0.00  0.00    -0.268 OA
ATOM     11  N   LIG    1       -3.999   2.776  -1.026  0.00  0.00    -0.318 N 
ATOM     12  C   LIG    1       -4.434   4.103  -1.433  0.00  0.00    +0.152 C 
ATOM     13  C   LIG    1       -2.693   2.611  -0.600  0.00  0.00    +0.098 A 
BRANCH   7  14
ATOM     14  C   LIG    1       -2.737  -1.116   0.183  0.00  0.00    -0.017 A 
ATOM     15  C   LIG    1       -2.571  -2.148  -0.753  0.00  0.00    +0.008 A 
ATOM     16  C   LIG    1       -2.320  -3.455  -0.328  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -2.229  -3.740   1.034  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -2.372  -2.717   1.970  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -2.624  -1.409   1.548  0.00  0.00    +0.008 A 
ENDBRANCH   7  14
ENDBRANCH   4   6
BRANCH   1  22
ATOM     20  C   LIG    1        5.018   0.323   0.320  0.00  0.00    +0.122 A 
ATOM     21  C   LIG    1        3.736   0.840   0.538  0.00  0.00    +0.074 A 
ATOM     22  C   LIG    1        2.583   0.089   0.236  0.00  0.00    +0.083 A 
ATOM     23  C   LIG    1        2.743  -1.225  -0.227  0.00  0.00    +0.084 A 
ATOM     24  C   LIG    1        4.027  -1.738  -0.462  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        5.160  -0.964  -0.196  0.00  0.00    +0.046 A 
BRANCH  20  27
ATOM     26  C   LIG    1        7.365   0.694   0.463  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1        6.039   1.176   0.638  0.00  0.00    -0.495 OA
ENDBRANCH  20  27
BRANCH  23  28
ATOM     28  C   LIG    1        1.640  -2.187  -0.371  0.00  0.00    +0.339 C 
ATOM     29  O   LIG    1        1.386  -2.853  -1.353  0.00  0.00    -0.245 OA
BRANCH  28  30
ATOM     30  O   LIG    1        0.963  -2.278   0.784  0.00  0.00    -0.477 OA
ATOM     31  H   LIG    1        0.218  -2.892   0.609  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  23  28
ENDBRANCH   1  22
TORSDOF 6