REMARK  Name = BDB044003
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.953   0.866   0.862  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1        1.948   0.913  -0.112  0.00  0.00    -0.338 N 
ATOM      3  C   LIG    1        1.795   1.611  -1.372  0.00  0.00    +0.149 C 
ATOM      4  C   LIG    1        3.025   0.141   0.280  0.00  0.00    +0.074 A 
ATOM      5  C   LIG    1        2.650  -0.480   1.452  0.00  0.00    +0.068 A 
ATOM      6  N   LIG    1        3.466  -1.392   2.074  0.00  0.00    -0.320 N 
ATOM      7  H   LIG    1        3.171  -1.845   2.927  0.00  0.00    +0.169 HD
ATOM      8  C   LIG    1        4.690  -1.756   1.551  0.00  0.00    +0.257 A 
ATOM      9  C   LIG    1        5.153  -1.069   0.301  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1        6.423  -1.383  -0.204  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        6.903  -0.721  -1.331  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.125   0.260  -1.940  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.855   0.575  -1.440  0.00  0.00    +0.011 A 
ATOM     14  O   LIG    1        5.382  -2.608   2.102  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        4.339  -0.099  -0.329  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1        1.387  -0.015   1.840  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1  21
ATOM     17  N   LIG    1       -3.734  -0.067  -0.269  0.00  0.00    -0.297 NA
ATOM     18  C   LIG    1       -3.636   1.394  -0.002  0.00  0.00    +0.103 C 
ATOM     19  C   LIG    1       -2.697   1.802   1.153  0.00  0.00    +0.123 C 
ATOM     20  N   LIG    1       -1.465   1.024   1.142  0.00  0.00    -0.294 N 
ATOM     21  C   LIG    1       -0.265   1.661   0.831  0.00  0.00    +0.263 C 
ATOM     22  O   LIG    1       -0.230   2.854   0.532  0.00  0.00    -0.268 OA
ATOM     23  C   LIG    1       -1.657  -0.427   1.075  0.00  0.00    +0.123 C 
ATOM     24  C   LIG    1       -3.126  -0.844   0.825  0.00  0.00    +0.103 C 
BRANCH  17  26
ATOM     25  C   LIG    1       -5.237  -1.994  -0.875  0.00  0.00    +0.024 C 
ATOM     26  C   LIG    1       -5.103  -0.480  -0.644  0.00  0.00    +0.051 C 
ATOM     27  C   LIG    1       -5.549   0.228  -1.935  0.00  0.00    +0.024 C 
ENDBRANCH  17  26
ENDBRANCH   1  21
TORSDOF 2