REMARK  Name = BDB021904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.333   0.895  -1.225  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1       -1.039   0.554  -0.090  0.00  0.00    +0.300 C 
ATOM      3  N   LIG    1       -1.933   0.136   0.868  0.00  0.00    -0.297 N 
ATOM      4  H   LIG    1       -1.655   0.438   1.791  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        0.241   0.535   0.410  0.00  0.00    -0.296 N 
ATOM      6  H   LIG    1        0.388  -0.169   1.118  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.369   0.149   0.601  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -3.748  -0.869  -0.494  0.00  0.00    +0.027 C 
ATOM      9  C   LIG    1       -5.170  -1.422  -0.362  0.00  0.00    +0.067 C 
ATOM     10  C   LIG    1       -6.124  -0.426   0.293  0.00  0.00    +0.170 C 
ATOM     11  O   LIG    1       -6.170   0.777  -0.493  0.00  0.00    -0.346 OA
ATOM     12  C   LIG    1       -7.434   0.733  -1.154  0.00  0.00    +0.191 C 
ATOM     13  C   LIG    1       -8.305   0.000  -0.172  0.00  0.00    +0.191 C 
ATOM     14  O   LIG    1       -7.438  -1.004   0.353  0.00  0.00    -0.346 OA
ATOM     15  C   LIG    1       -5.661  -0.068   1.711  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1       -4.141  -0.131   1.894  0.00  0.00    +0.027 C 
ENDBRANCH   3   7
BRANCH   5  17
ATOM     17  C   LIG    1        1.378   0.848  -0.449  0.00  0.00    +0.077 C 
ATOM     18  C   LIG    1        1.715  -0.320  -1.381  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.974  -0.020  -2.195  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1        4.141   0.342  -1.377  0.00  0.00    -0.298 NA
ATOM     21  C   LIG    1        3.821   1.463  -0.481  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1        2.594   1.226   0.399  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1        4.710  -0.826  -0.684  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        6.075  -0.565  -0.081  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        6.306  -0.778   1.286  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        7.569  -0.550   1.835  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        8.614  -0.110   1.025  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        8.399   0.102  -0.335  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        7.137  -0.126  -0.886  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   5  17
TORSDOF 4