REMARK  Name = BDB020458
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.159  -0.950  -0.620  0.00  0.00    +0.003 A 
ATOM      2  C   LIG    1        1.253  -0.326   0.004  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        2.467  -1.024   0.172  0.00  0.00    +0.028 A 
ATOM      4  C   LIG    1        3.751  -0.765   0.731  0.00  0.00    +0.103 A 
ATOM      5  N   LIG    1        4.556  -1.834   0.657  0.00  0.00    -0.170 NA
ATOM      6  N   LIG    1        3.813  -2.756   0.023  0.00  0.00    -0.266 N 
ATOM      7  C   LIG    1        4.381  -4.053  -0.256  0.00  0.00    +0.173 C 
ATOM      8  C   LIG    1        2.543  -2.338  -0.289  0.00  0.00    +0.069 A 
ATOM      9  C   LIG    1        1.476  -2.981  -0.931  0.00  0.00    +0.028 A 
ATOM     10  C   LIG    1        0.287  -2.260  -1.093  0.00  0.00    +0.012 A 
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1       -4.784  -2.875   1.137  0.00  0.00    +0.132 C 
ATOM     12  N   LIG    1       -4.249  -1.742   0.402  0.00  0.00    -0.297 N 
ATOM     13  C   LIG    1       -5.141  -0.760  -0.023  0.00  0.00    +0.235 C 
ATOM     14  O   LIG    1       -6.343  -0.797   0.248  0.00  0.00    -0.274 OA
ATOM     15  C   LIG    1       -4.594   0.395  -0.842  0.00  0.00    +0.219 C 
ATOM     16  N   LIG    1       -3.152   0.429  -0.875  0.00  0.00    -0.320 N 
ATOM     17  C   LIG    1       -2.365  -0.659  -0.620  0.00  0.00    +0.064 A 
ATOM     18  C   LIG    1       -1.073  -0.197  -0.778  0.00  0.00    +0.094 A 
ATOM     19  N   LIG    1       -1.080   1.148  -1.082  0.00  0.00    -0.232 NA
ATOM     20  C   LIG    1       -2.346   1.496  -1.141  0.00  0.00    +0.114 A 
ATOM     21  C   LIG    1       -2.971  -1.953  -0.266  0.00  0.00    +0.163 C 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.821   2.935  -1.486  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -1.992   4.104  -1.019  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1       -3.318   3.824  -0.376  0.00  0.00    +0.012 C 
ENDBRANCH  20  22
ENDBRANCH   1  18
BRANCH   4  25
ATOM     25  C   LIG    1        4.202   0.486   1.336  0.00  0.00    +0.040 A 
ATOM     26  C   LIG    1        3.683   1.759   1.270  0.00  0.00    +0.118 A 
ATOM     27  N   LIG    1        4.515   2.543   2.016  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        4.391   3.962   2.249  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        5.545   1.871   2.563  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.356   0.617   2.136  0.00  0.00    +0.144 A 
ENDBRANCH   4  25
TORSDOF 3