REMARK  Name = BDB018500
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.606   0.428   0.495  0.00  0.00    +0.022 A 
ATOM      2  C   LIG    1        0.258   0.562  -0.565  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.542   0.371  -0.082  0.00  0.00    -0.239 N 
ATOM      4  N   LIG    1        1.516   0.140   1.259  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1        0.224   0.179   1.595  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1  12
ATOM      6  C   LIG    1       -4.570   2.880   1.788  0.00  0.00    +0.152 C 
ATOM      7  N   LIG    1       -4.011   1.741   1.077  0.00  0.00    -0.318 N 
ATOM      8  C   LIG    1       -4.859   0.908   0.359  0.00  0.00    +0.251 A 
ATOM      9  O   LIG    1       -6.075   1.044   0.268  0.00  0.00    -0.268 OA
ATOM     10  C   LIG    1       -4.203  -0.224  -0.337  0.00  0.00    +0.074 A 
ATOM     11  C   LIG    1       -2.873  -0.429  -0.281  0.00  0.00    -0.030 A 
ATOM     12  C   LIG    1       -2.032   0.537   0.454  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -2.641   1.552   1.099  0.00  0.00    +0.097 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -2.216  -1.572  -0.956  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -1.555  -2.651  -0.131  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -2.823  -2.954  -0.867  0.00  0.00    +0.009 C 
ENDBRANCH  11  14
ENDBRANCH   1  12
BRANCH   3  17
ATOM     17  C   LIG    1        2.765   0.471  -0.817  0.00  0.00    +0.076 A 
ATOM     18  C   LIG    1        3.997  -0.111  -0.419  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1        5.117   0.095  -1.266  0.00  0.00    +0.014 A 
ATOM     20  C   LIG    1        5.046   0.834  -2.446  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.840   1.392  -2.827  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        2.713   1.212  -2.025  0.00  0.00    +0.028 A 
BRANCH  18  23
ATOM     23  C   LIG    1        4.276  -0.986   0.733  0.00  0.00    +0.181 A 
ATOM     24  N   LIG    1        3.641  -1.008   1.942  0.00  0.00    -0.239 N 
ATOM     25  H   LIG    1        2.825  -0.477   2.230  0.00  0.00    +0.192 HD
ATOM     26  N   LIG    1        4.198  -1.902   2.768  0.00  0.00    -0.046 NA
ATOM     27  N   LIG    1        5.188  -2.433   2.070  0.00  0.00    -0.023 NA
ATOM     28  N   LIG    1        5.254  -1.877   0.817  0.00  0.00    -0.108 NA
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 4