REMARK  Name = BDB020197
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.346  -0.161   0.530  0.00  0.00    -0.271 N 
ATOM      2  C   LIG    1        0.688  -0.145  -0.418  0.00  0.00    +0.232 C 
ATOM      3  O   LIG    1        0.648   0.502  -1.468  0.00  0.00    -0.274 OA
ATOM      4  C   LIG    1       -0.329  -1.039   1.702  0.00  0.00    +0.138 C 
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1        1.948  -0.946  -0.112  0.00  0.00    +0.162 C 
ATOM      6  C   LIG    1        2.595  -1.471  -1.376  0.00  0.00    +0.231 C 
ATOM      7  O   LIG    1        2.227  -2.517  -1.908  0.00  0.00    -0.275 OA
ATOM      8  N   LIG    1        3.623  -0.737  -1.913  0.00  0.00    -0.256 N 
ATOM      9  H   LIG    1        4.034  -1.104  -2.760  0.00  0.00    +0.157 HD
ATOM     10  C   LIG    1        4.210   0.392  -1.402  0.00  0.00    +0.219 C 
ATOM     11  O   LIG    1        5.175   0.913  -1.955  0.00  0.00    -0.275 OA
ATOM     12  C   LIG    1        3.587   0.968  -0.155  0.00  0.00    +0.097 C 
ATOM     13  C   LIG    1        2.945  -0.117   0.699  0.00  0.00    +0.031 C 
ENDBRANCH   2   5
BRANCH   1  15
ATOM     14  C   LIG    1       -2.829   0.147   0.648  0.00  0.00    +0.141 A 
ATOM     15  C   LIG    1       -1.542   0.618   0.317  0.00  0.00    +0.078 A 
ATOM     16  C   LIG    1       -1.448   1.919  -0.204  0.00  0.00    +0.027 A 
ATOM     17  C   LIG    1       -2.580   2.728  -0.354  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -3.834   2.255   0.019  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1       -3.959   0.965   0.524  0.00  0.00    +0.047 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -3.288  -1.993  -0.030  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -3.043  -1.137   1.090  0.00  0.00    -0.493 OA
ENDBRANCH  14  21
ENDBRANCH   1  15
TORSDOF 3