REMARK  Name = BDB005627
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.588   1.199  -0.401  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1        2.053  -0.124  -0.279  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.090  -1.147  -0.344  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1        1.476  -2.484  -0.200  0.00  0.00    -0.322 N 
ATOM      5  H   LIG    1        0.786  -3.222  -0.237  0.00  0.00    +0.169 HD
ATOM      6  C   LIG    1        2.763  -2.887   0.001  0.00  0.00    +0.254 A 
ATOM      7  C   LIG    1        3.798  -1.823   0.053  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        5.224  -2.272   0.242  0.00  0.00    +0.044 C 
ATOM      9  C   LIG    1        6.176  -1.121   0.589  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1        5.863   0.117  -0.245  0.00  0.00    +0.102 C 
ATOM     11  N   LIG    1        4.461   0.456  -0.068  0.00  0.00    -0.343 N 
ATOM     12  H   LIG    1        4.162   1.322  -0.521  0.00  0.00    +0.146 HD
ATOM     13  O   LIG    1        3.046  -4.076   0.121  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -0.266  -0.869  -0.553  0.00  0.00    +0.031 A 
ATOM     15  C   LIG    1       -0.706   0.451  -0.711  0.00  0.00    -0.028 A 
ATOM     16  C   LIG    1        3.473  -0.522  -0.084  0.00  0.00    +0.048 A 
ATOM     17  C   LIG    1        0.234   1.483  -0.636  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   1  19
ATOM     18  C   LIG    1        2.422   2.862   0.946  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1        2.452   2.270  -0.358  0.00  0.00    -0.494 OA
ENDBRANCH   1  19
BRANCH  15  20
ATOM     20  C   LIG    1       -2.167   0.746  -0.955  0.00  0.00    +0.116 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -2.969   0.372   0.209  0.00  0.00    -0.309 NA
ATOM     22  H   LIG    1       -2.601   0.857   1.027  0.00  0.00    +0.123 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -4.379   0.702   0.042  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -5.111  -0.143  -0.999  0.00  0.00    +0.019 C 
ATOM     25  C   LIG    1       -6.586   0.022  -0.642  0.00  0.00    +0.002 C 
ATOM     26  C   LIG    1       -6.625   0.400   0.840  0.00  0.00    +0.002 C 
ATOM     27  C   LIG    1       -5.174   0.392   1.310  0.00  0.00    +0.019 C 
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  15  20
TORSDOF 4