REMARK  Name = BDB018714
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.854   0.409   0.048  0.00  0.00    +0.002 A 
ATOM      2  C   LIG    1        1.111  -0.779  -0.011  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -0.274  -0.723  -0.148  0.00  0.00    +0.096 A 
ATOM      4  N   LIG    1       -1.024  -1.898  -0.229  0.00  0.00    -0.278 N 
ATOM      5  H   LIG    1       -0.580  -2.804  -0.316  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -2.392  -1.855  -0.327  0.00  0.00    +0.263 C 
ATOM      7  C   LIG    1       -3.010  -0.476  -0.035  0.00  0.00    +0.205 C 
ATOM      8  C   LIG    1       -4.403  -0.365  -0.686  0.00  0.00    +0.174 C 
ATOM      9  N   LIG    1       -5.233   0.463   0.254  0.00  0.00    -0.265 N 
ATOM     10  C   LIG    1       -4.433   0.716   1.475  0.00  0.00    +0.121 C 
ATOM     11  O   LIG    1       -2.239   0.660  -0.433  0.00  0.00    -0.457 OA
ATOM     12  C   LIG    1       -3.350  -0.353   1.455  0.00  0.00    +0.079 C 
ATOM     13  O   LIG    1       -3.033  -2.879  -0.542  0.00  0.00    -0.271 OA
ATOM     14  C   LIG    1       -0.890   0.523  -0.239  0.00  0.00    +0.238 A 
ATOM     15  N   LIG    1       -0.215   1.685  -0.193  0.00  0.00    -0.219 NA
ATOM     16  C   LIG    1        1.130   1.601  -0.050  0.00  0.00    +0.123 A 
ENDROOT
BRANCH   1  19
ATOM     17  C   LIG    1        5.525  -0.370  -0.506  0.00  0.00    +0.052 A 
ATOM     18  C   LIG    1        4.131  -0.363  -0.652  0.00  0.00    +0.027 A 
ATOM     19  C   LIG    1        3.316   0.402   0.201  0.00  0.00    -0.015 A 
ATOM     20  C   LIG    1        3.942   1.159   1.206  0.00  0.00    +0.008 A 
ATOM     21  C   LIG    1        5.332   1.154   1.356  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        6.123   0.390   0.500  0.00  0.00    +0.019 A 
BRANCH  17  24
ATOM     23  N   LIG    1        6.983  -1.802  -2.104  0.00  0.00    -0.191 NA
ATOM     24  C   LIG    1        6.334  -1.158  -1.390  0.00  0.00    +0.099 C 
ENDBRANCH  17  24
ENDBRANCH   1  19
BRANCH   9  25
ATOM     25  C   LIG    1       -6.268   1.219  -0.135  0.00  0.00    +0.169 C 
ATOM     26  N   LIG    1       -7.160   1.875  -0.471  0.00  0.00    -0.174 NA
ENDBRANCH   9  25
TORSDOF 3