REMARK  Name = BDB054390
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.557  -1.229  -1.285  0.00  0.00    +0.129 A 
ATOM      2  C   LIG    1       -0.082  -1.850  -2.358  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -1.408  -1.530  -2.692  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1       -2.114  -0.562  -1.934  0.00  0.00    -0.006 A 
ATOM      5  C   LIG    1       -3.456  -0.285  -2.304  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -4.054  -0.905  -3.410  0.00  0.00    +0.013 A 
ATOM      7  C   LIG    1       -3.341  -1.843  -4.146  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -1.425   0.081  -0.876  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1       -2.033  -2.158  -3.783  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -0.105  -0.246  -0.556  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1       -4.311   0.661  -1.546  0.00  0.00    +0.245 C 
ATOM     12  N   LIG    1       -4.511   0.306  -0.224  0.00  0.00    -0.306 N 
ATOM     13  H   LIG    1       -4.094  -0.570   0.076  0.00  0.00    +0.150 HD
ATOM     14  O   LIG    1       -4.794   1.620  -2.132  0.00  0.00    -0.270 OA
BRANCH  12  15
ATOM     15  C   LIG    1       -5.294   1.015   0.764  0.00  0.00    +0.032 C 
ATOM     16  C   LIG    1       -5.380   2.523   0.748  0.00  0.00    +0.027 C 
ATOM     17  C   LIG    1       -6.583   1.702   0.378  0.00  0.00    +0.027 C 
ATOM     18  C   LIG    1       -5.262   0.360   2.128  0.00  0.00    +0.031 C 
ENDBRANCH  12  15
ENDBRANCH   5  11
BRANCH   1  19
ATOM     19  O   LIG    1        1.868  -1.587  -1.058  0.00  0.00    -0.455 OA
BRANCH  19  28
ATOM     20  C   LIG    1        5.397   0.635   1.817  0.00  0.00    +0.164 A 
ATOM     21  C   LIG    1        5.018   0.828   0.478  0.00  0.00    +0.162 A 
ATOM     22  C   LIG    1        3.984   0.056  -0.053  0.00  0.00    +0.063 A 
ATOM     23  C   LIG    1        3.318  -0.909   0.736  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1        3.702  -1.099   2.076  0.00  0.00    +0.078 A 
ATOM     25  N   LIG    1        3.110  -2.003   2.878  0.00  0.00    -0.255 NA
ATOM     26  C   LIG    1        2.118  -2.764   2.370  0.00  0.00    +0.115 A 
ATOM     27  C   LIG    1        1.662  -2.663   1.074  0.00  0.00    +0.066 A 
ATOM     28  C   LIG    1        2.261  -1.708   0.259  0.00  0.00    +0.139 A 
ATOM     29  C   LIG    1        4.732  -0.325   2.591  0.00  0.00    +0.077 A 
BRANCH  20  31
ATOM     30  C   LIG    1        6.841   1.251   3.621  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.420   1.427   2.275  0.00  0.00    -0.491 OA
ENDBRANCH  20  31
BRANCH  21  32
ATOM     32  O   LIG    1        5.712   1.785  -0.217  0.00  0.00    -0.491 OA
ATOM     33  C   LIG    1        5.346   2.017  -1.570  0.00  0.00    +0.277 C 
ENDBRANCH  21  32
ENDBRANCH  19  28
ENDBRANCH   1  19
TORSDOF 6