REMARK  Name = BDB016808
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.782   1.023  -0.444  0.00  0.00    -0.320 N 
ATOM      2  C   LIG    1        0.461   0.834  -0.223  0.00  0.00    +0.130 A 
ATOM      3  C   LIG    1       -0.801   1.427  -0.489  0.00  0.00    +0.270 C 
ATOM      4  N   LIG    1       -1.752   0.569   0.148  0.00  0.00    -0.252 N 
ATOM      5  C   LIG    1       -1.073  -0.625   0.777  0.00  0.00    +0.163 C 
ATOM      6  O   LIG    1       -0.966   2.457  -1.118  0.00  0.00    -0.268 OA
ATOM      7  C   LIG    1        0.343  -0.313   0.485  0.00  0.00    +0.097 A 
ATOM      8  N   LIG    1        1.550  -0.862   0.759  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.432  -0.040   0.186  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -3.128   0.786   0.257  0.00  0.00    +0.054 A 
ATOM     11  C   LIG    1       -3.940  -0.045   0.942  0.00  0.00    +0.112 A 
ATOM     12  N   LIG    1       -5.306   0.158   1.056  0.00  0.00    -0.316 N 
ATOM     13  C   LIG    1       -6.088  -0.810   1.812  0.00  0.00    +0.152 C 
ATOM     14  C   LIG    1       -5.955   1.241   0.472  0.00  0.00    +0.254 A 
ATOM     15  O   LIG    1       -7.162   1.452   0.553  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1       -5.078   2.178  -0.294  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1       -5.748   3.351  -0.936  0.00  0.00    +0.049 C 
ATOM     18  C   LIG    1       -3.758   1.935  -0.375  0.00  0.00    +0.033 A 
ENDBRANCH   4  10
BRANCH   5  19
ATOM     19  C   LIG    1       -1.342  -1.963   0.111  0.00  0.00    -0.021 A 
ATOM     20  C   LIG    1       -1.778  -2.079  -1.222  0.00  0.00    +0.007 A 
ATOM     21  C   LIG    1       -2.015  -3.333  -1.791  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -1.811  -4.487  -1.039  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1       -2.102  -6.029  -1.742  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1       -1.370  -4.398   0.278  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1       -1.135  -3.144   0.849  0.00  0.00    +0.007 A 
ENDBRANCH   5  19
BRANCH   9  26
ATOM     26  C   LIG    1        3.873  -0.271   0.185  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.777   0.657   0.691  0.00  0.00    +0.126 A 
ATOM     28  N   LIG    1        6.123   0.492   0.698  0.00  0.00    -0.221 NA
ATOM     29  C   LIG    1        6.589  -0.675   0.204  0.00  0.00    +0.214 A 
ATOM     30  C   LIG    1        5.773  -1.677  -0.298  0.00  0.00    +0.068 A 
ATOM     31  C   LIG    1        4.395  -1.470  -0.302  0.00  0.00    +0.018 A 
BRANCH  29  32
ATOM     32  O   LIG    1        7.946  -0.923   0.178  0.00  0.00    -0.480 OA
ATOM     33  C   LIG    1        8.717   0.134   0.738  0.00  0.00    +0.279 C 
ENDBRANCH  29  32
ENDBRANCH   9  26
BRANCH   1  35
ATOM     34  C   LIG    1        2.435   3.405  -0.547  0.00  0.00    +0.027 C 
ATOM     35  C   LIG    1        2.351   2.070  -1.268  0.00  0.00    +0.120 C 
ENDBRANCH   1  35
TORSDOF 5