REMARK  Name = BDB001653
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.833   0.228  -0.779  0.00  0.00    +0.280 C 
ATOM      2  N   LIG    1        1.938  -0.316  -0.100  0.00  0.00    -0.176 N 
ATOM      3  C   LIG    1        3.290  -0.220  -0.396  0.00  0.00    +0.098 A 
ATOM      4  C   LIG    1        3.900  -0.930   0.631  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1        5.296  -1.053   0.659  0.00  0.00    +0.032 A 
ATOM      6  C   LIG    1        6.043  -0.451  -0.360  0.00  0.00    +0.002 A 
ATOM      7  C   LIG    1        5.413   0.259  -1.383  0.00  0.00    +0.002 A 
ATOM      8  N   LIG    1        2.953  -1.411   1.488  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        4.020   0.390  -1.426  0.00  0.00    +0.030 A 
ATOM     10  N   LIG    1        1.765  -1.026   1.046  0.00  0.00    -0.057 NA
ATOM     11  O   LIG    1        1.067   0.964  -1.740  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   1  15
ATOM     12  C   LIG    1       -3.321  -0.333   0.182  0.00  0.00    +0.162 A 
ATOM     13  C   LIG    1       -2.864   0.887  -0.356  0.00  0.00    +0.162 A 
ATOM     14  C   LIG    1       -1.506   1.046  -0.655  0.00  0.00    +0.062 A 
ATOM     15  C   LIG    1       -0.596   0.004  -0.419  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -1.058  -1.212   0.089  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -2.413  -1.375   0.395  0.00  0.00    +0.050 A 
BRANCH  12  19
ATOM     18  C   LIG    1       -5.152  -1.598   1.054  0.00  0.00    +0.277 C 
ATOM     19  O   LIG    1       -4.664  -0.407   0.453  0.00  0.00    -0.491 OA
ENDBRANCH  12  19
BRANCH  13  20
ATOM     20  O   LIG    1       -3.817   1.857  -0.546  0.00  0.00    -0.491 OA
ATOM     21  C   LIG    1       -3.412   3.074  -1.156  0.00  0.00    +0.277 C 
ENDBRANCH  13  20
ENDBRANCH   1  15
TORSDOF 3