REMARK  Name = BDB004400
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.189   0.250  -0.808  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   1   4
ATOM      2  N   LIG    1       -2.111   0.566  -0.171  0.00  0.00    -0.309 N 
ATOM      3  H   LIG    1       -1.777   0.338   0.756  0.00  0.00    +0.149 HD
ATOM      4  C   LIG    1       -1.226   0.588  -1.223  0.00  0.00    +0.214 C 
ATOM      5  O   LIG    1       -1.547   0.853  -2.376  0.00  0.00    -0.276 OA
BRANCH   2   7
ATOM      6  C   LIG    1       -3.759   2.373  -0.481  0.00  0.00    +0.033 C 
ATOM      7  C   LIG    1       -3.523   0.866  -0.336  0.00  0.00    +0.100 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.305   0.255   0.813  0.00  0.00    -0.027 A 
ATOM      9  C   LIG    1       -4.296   0.816   2.101  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -5.005   0.217   3.145  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.724  -0.954   2.920  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.732  -1.531   1.652  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.024  -0.933   0.607  0.00  0.00    +0.005 A 
ENDBRANCH   7   8
ENDBRANCH   2   7
ENDBRANCH   1   4
BRANCH   1  14
ATOM     14  C   LIG    1        1.141   0.283  -1.996  0.00  0.00    +0.083 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.567  -0.045  -1.625  0.00  0.00    +0.111 A 
ATOM     16  N   LIG    1        3.447  -0.036  -2.676  0.00  0.00    -0.310 N 
ATOM     17  H   LIG    1        3.134   0.176  -3.613  0.00  0.00    +0.170 HD
ATOM     18  C   LIG    1        4.785  -0.307  -2.543  0.00  0.00    +0.259 A 
ATOM     19  O   LIG    1        5.552  -0.293  -3.498  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        5.236  -0.616  -1.176  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        4.272  -0.603  -0.163  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        4.674  -0.893   1.142  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.011  -1.189   1.426  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.961  -1.198   0.404  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        6.575  -0.911  -0.905  0.00  0.00    +0.015 A 
ATOM     26  N   LIG    1        2.919  -0.310  -0.409  0.00  0.00    -0.234 NA
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5