REMARK  Name = BDB062502
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.241  -0.027   0.502  0.00  0.00    +0.021 A 
ATOM      2  C   LIG    1       -1.400  -0.320  -0.584  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.006  -0.296  -0.463  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1        0.562   0.031   0.765  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -0.257   0.320   1.860  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.648   0.289   1.731  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -9.258  -0.833  -1.662  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1       -8.064  -0.443  -0.840  0.00  0.00    -0.048 A 
ATOM      9  C   LIG    1       -6.769  -0.729  -1.306  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -5.666  -0.386  -0.510  0.00  0.00    +0.090 A 
ATOM     11  C   LIG    1       -5.878   0.215   0.721  0.00  0.00    +0.066 A 
ATOM     12  N   LIG    1       -4.616   0.409   1.219  0.00  0.00    -0.338 N 
ATOM     13  H   LIG    1       -4.399   0.846   2.100  0.00  0.00    +0.167 HD
ATOM     14  C   LIG    1       -3.696  -0.070   0.312  0.00  0.00    +0.139 A 
ATOM     15  C   LIG    1       -7.146   0.503   1.226  0.00  0.00    +0.028 A 
ATOM     16  N   LIG    1       -4.324  -0.551  -0.748  0.00  0.00    -0.228 NA
ATOM     17  C   LIG    1       -8.237   0.154   0.418  0.00  0.00    +0.005 A 
ENDBRANCH   1  14
BRANCH   3  18
ATOM     18  O   LIG    1        0.667  -0.596  -1.613  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        2.091  -0.708  -1.578  0.00  0.00    +0.229 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.738   0.649  -1.855  0.00  0.00    +0.041 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.260   0.584  -1.998  0.00  0.00    +0.003 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.026   0.102  -0.761  0.00  0.00    +0.000 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.907   1.050   0.433  0.00  0.00    +0.001 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.569   0.528   1.715  0.00  0.00    +0.011 C 
BRANCH  24  25
ATOM     25  C   LIG    1        7.092   0.424   1.650  0.00  0.00    +0.120 C 
BRANCH  25  26
ATOM     26  C   LIG    1        7.599  -0.844   1.020  0.00  0.00    +0.305 C 
ATOM     27  O   LIG    1        8.424  -0.918   0.125  0.00  0.00    -0.251 OA
BRANCH  26  28
ATOM     28  O   LIG    1        7.094  -1.959   1.579  0.00  0.00    -0.481 OA
ATOM     29  H   LIG    1        7.537  -2.688   1.096  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 11