REMARK  Name = BDB046903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230  -0.348  -0.633  0.00  0.00    -0.009 A 
ATOM      2  C   LIG    1       -2.492  -0.139  -0.118  0.00  0.00    +0.120 A 
ATOM      3  N   LIG    1       -3.418  -0.469  -1.092  0.00  0.00    -0.220 N 
ATOM      4  N   LIG    1       -2.770  -0.891  -2.223  0.00  0.00    -0.173 NA
ATOM      5  C   LIG    1       -1.474  -0.808  -1.937  0.00  0.00    +0.138 A 
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.861  -0.432  -1.069  0.00  0.00    +0.180 A 
ATOM      7  C   LIG    1       -5.590  -0.006   0.051  0.00  0.00    +0.122 A 
ATOM      8  C   LIG    1       -6.989  -0.026  -0.087  0.00  0.00    +0.070 A 
ATOM      9  C   LIG    1       -7.811   0.412   1.056  0.00  0.00    +0.259 A 
ATOM     10  N   LIG    1       -7.123   0.809   2.168  0.00  0.00    -0.313 N 
ATOM     11  H   LIG    1       -7.678   1.112   2.956  0.00  0.00    +0.170 HD
ATOM     12  C   LIG    1       -5.765   0.801   2.229  0.00  0.00    +0.200 A 
ATOM     13  O   LIG    1       -9.035   0.421   1.015  0.00  0.00    -0.267 OA
ATOM     14  C   LIG    1       -7.624  -0.441  -1.256  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1       -6.824  -0.840  -2.296  0.00  0.00    +0.114 A 
ATOM     16  N   LIG    1       -5.002   0.426   1.262  0.00  0.00    -0.233 NA
ATOM     17  N   LIG    1       -5.481  -0.843  -2.226  0.00  0.00    -0.234 NA
ENDBRANCH   3   6
BRANCH   1  18
ATOM     18  C   LIG    1        0.086  -0.137   0.032  0.00  0.00    +0.039 C 
BRANCH  18  19
ATOM     19  C   LIG    1        0.589  -1.407   0.723  0.00  0.00    +0.020 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.898  -1.186   1.494  0.00  0.00    +0.085 C 
BRANCH  20  22
ATOM     21  C   LIG    1        3.458  -1.654  -0.309  0.00  0.00    +0.105 C 
ATOM     22  N   LIG    1        3.008  -0.664   0.677  0.00  0.00    -0.301 NA
BRANCH  22  23
ATOM     23  C   LIG    1        4.126  -0.261   1.555  0.00  0.00    +0.119 C 
BRANCH  23  24
ATOM     24  C   LIG    1        5.176   0.573   0.848  0.00  0.00    -0.033 A 
ATOM     25  C   LIG    1        6.526   0.194   0.875  0.00  0.00    +0.006 A 
ATOM     26  C   LIG    1        7.494   0.974   0.235  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        7.123   2.143  -0.436  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        5.781   2.531  -0.464  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1        4.815   1.752   0.177  0.00  0.00    +0.006 A 
BRANCH  27  30
ATOM     30  C   LIG    1        8.117   2.942  -1.092  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1        8.925   3.587  -1.620  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 8