REMARK  Name = BDB016000
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.985   2.190   0.300  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.200   1.120   0.068  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.130   1.306  -0.034  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -1.702   2.572   0.114  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.807   3.601   0.347  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.528   3.446   0.437  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.376   0.436   0.381  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.995   0.672   0.282  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        2.442   1.965   0.406  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        3.336   3.026   0.638  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.712   2.809   0.742  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.228   1.520   0.615  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        5.028  -4.308  -0.942  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        5.191  -3.003  -0.349  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.259  -2.759   0.429  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        6.093  -1.484   0.794  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        4.920  -0.906   0.253  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        4.362  -1.928  -0.488  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.129   2.827   0.059  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.719   3.920  -0.544  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -5.066   3.769  -0.373  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -6.106   4.657  -0.834  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.398   2.655   0.301  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.220   2.086   0.568  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.954   0.185  -0.278  0.00  0.00    -0.326 N 
ATOM     26  H   LIG    1       -2.552   0.413  -1.072  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -1.287  -1.117  -0.440  0.00  0.00    +0.074 C 
ATOM     28  C   LIG    1       -2.251  -2.083  -1.157  0.00  0.00    +0.053 C 
ATOM     29  C   LIG    1       -3.142  -2.830  -0.171  0.00  0.00    +0.116 C 
ATOM     30  C   LIG    1       -2.321  -3.706   0.779  0.00  0.00    +0.031 C 
ATOM     31  C   LIG    1       -0.909  -3.175   1.021  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -0.855  -1.655   0.943  0.00  0.00    +0.022 C 
BRANCH  29  33
ATOM     33  O   LIG    1       -4.053  -3.647  -0.899  0.00  0.00    -0.392 OA
ATOM     34  H   LIG    1       -4.650  -4.063  -0.253  0.00  0.00    +0.210 HD
ENDBRANCH  29  33
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 6