REMARK  Name = BDB003646
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.126  -1.691   2.450  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        1.286  -0.972   1.471  0.00  0.00    +0.249 C 
ATOM      3  C   LIG    1        2.638  -0.634   0.977  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        2.806   0.179  -0.144  0.00  0.00    +0.036 A 
ATOM      5  C   LIG    1        4.097   0.485  -0.597  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        5.212  -0.022   0.072  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        5.044  -0.834   1.193  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.636   0.724  -0.865  0.00  0.00    +0.208 C 
ATOM      9  O   LIG    1        1.783   1.430  -1.856  0.00  0.00    -0.285 OA
ATOM     10  C   LIG    1        0.291   0.363  -0.314  0.00  0.00    +0.082 C 
ATOM     11  C   LIG    1       -0.795   0.847  -0.941  0.00  0.00    +0.035 C 
ATOM     12  C   LIG    1        3.760  -1.142   1.646  0.00  0.00    +0.014 A 
ATOM     13  N   LIG    1        0.220  -0.447   0.790  0.00  0.00    -0.278 N 
ATOM     14  H   LIG    1       -0.690  -0.708   1.156  0.00  0.00    +0.155 HD
ENDROOT
BRANCH  11  15
ATOM     15  C   LIG    1       -2.181   0.597  -0.537  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -2.991  -0.236  -1.318  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1       -4.312  -0.491  -0.941  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -4.818   0.095   0.215  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -4.027   0.929   0.997  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1       -2.707   1.183   0.621  0.00  0.00    +0.011 A 
BRANCH  18  21
ATOM     21  O   LIG    1       -6.100  -0.126   0.621  0.00  0.00    -0.507 OA
ATOM     22  H   LIG    1       -6.532  -0.716  -0.018  0.00  0.00    +0.292 HD
ENDBRANCH  18  21
ENDBRANCH  11  15
TORSDOF 2