REMARK  Name = BDB047900
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.779   0.801   0.121  0.00  0.00    +0.146 A 
ATOM      2  C   LIG    1       -1.754  -0.162   0.024  0.00  0.00    +0.120 A 
ATOM      3  C   LIG    1       -2.132  -1.498  -0.128  0.00  0.00    +0.065 A 
ATOM      4  C   LIG    1       -1.073  -2.390  -0.217  0.00  0.00    +0.224 A 
ATOM      5  N   LIG    1        0.225  -2.082  -0.170  0.00  0.00    -0.193 NA
ATOM      6  C   LIG    1        0.488  -0.774  -0.022  0.00  0.00    +0.164 A 
ATOM      7  C   LIG    1       -3.491  -1.873  -0.183  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -4.486  -0.910  -0.086  0.00  0.00    +0.004 A 
ATOM      9  N   LIG    1       -0.451   0.185   0.075  0.00  0.00    -0.223 NA
ATOM     10  C   LIG    1       -4.131   0.428   0.066  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        1.905  -0.353   0.039  0.00  0.00    +0.019 A 
ATOM     12  C   LIG    1        2.259   1.004   0.193  0.00  0.00    +0.014 A 
ATOM     13  C   LIG    1        3.596   1.415   0.252  0.00  0.00    +0.033 A 
ATOM     14  C   LIG    1        4.614   0.462   0.157  0.00  0.00    +0.126 A 
ATOM     15  C   LIG    1        4.300  -0.892   0.003  0.00  0.00    +0.033 A 
ATOM     16  C   LIG    1        2.957  -1.287  -0.054  0.00  0.00    +0.014 A 
BRANCH  14  17
ATOM     17  N   LIG    1        6.018   0.884   0.217  0.00  0.00    +0.056 N 
ATOM     18  O   LIG    1        6.253   2.093   0.354  0.00  0.00    -0.126 OA
ATOM     19  O   LIG    1        6.888   0.005   0.128  0.00  0.00    -0.126 OA
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  21
ATOM     20  C   LIG    1       -3.338   3.119   0.373  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -2.351   2.103   0.270  0.00  0.00    -0.493 OA
ENDBRANCH   1  21
BRANCH   4  22
ATOM     22  O   LIG    1       -1.293  -3.726  -0.367  0.00  0.00    -0.492 OA
ATOM     23  H   LIG    1       -0.377  -4.056  -0.395  0.00  0.00    +0.294 HD
ENDBRANCH   4  22
TORSDOF 4