REMARK  Name = BDB018739
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.110  -0.841   0.013  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1        0.971  -0.194   0.515  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -0.301  -0.763   0.364  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -1.520  -0.117   0.972  0.00  0.00    +0.054 C 
ATOM      5  C   LIG    1       -2.790  -0.462   0.178  0.00  0.00    +0.069 C 
ATOM      6  C   LIG    1       -4.046   0.059   0.882  0.00  0.00    +0.132 C 
ATOM      7  N   LIG    1       -4.150   1.488   0.463  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -3.385   1.670  -0.799  0.00  0.00    +0.117 C 
ATOM      9  C   LIG    1       -2.866  -1.964  -0.055  0.00  0.00    +0.225 C 
ATOM     10  N   LIG    1       -1.693  -2.581  -0.408  0.00  0.00    -0.285 N 
ATOM     11  H   LIG    1       -1.772  -3.548  -0.699  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1       -3.916  -2.601  -0.033  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1       -2.871   0.283  -1.164  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1       -0.430  -1.995  -0.281  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        0.692  -2.660  -0.766  0.00  0.00    +0.024 A 
ATOM     16  C   LIG    1        1.956  -2.080  -0.625  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  21
ATOM     17  C   LIG    1        5.830   2.422   0.461  0.00  0.00    +0.172 C 
ATOM     18  N   LIG    1        5.064   1.205   0.354  0.00  0.00    -0.274 N 
ATOM     19  N   LIG    1        5.700   0.021   0.362  0.00  0.00    -0.179 NA
ATOM     20  C   LIG    1        4.708  -0.866   0.244  0.00  0.00    +0.142 A 
ATOM     21  C   LIG    1        3.433  -0.258   0.162  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        3.708   1.093   0.234  0.00  0.00    +0.116 A 
ENDBRANCH   1  21
BRANCH   7  23
ATOM     23  C   LIG    1       -5.095   2.331   0.896  0.00  0.00    +0.169 C 
ATOM     24  N   LIG    1       -5.910   3.063   1.269  0.00  0.00    -0.174 NA
ENDBRANCH   7  23
TORSDOF 2