REMARK  Name = BDB016196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.224   1.042  -0.043  0.00  0.00    +0.059 A 
ATOM      2  C   LIG    1        2.427   0.346  -0.379  0.00  0.00    +0.061 A 
ATOM      3  N   LIG    1        2.321  -0.802  -1.190  0.00  0.00    -0.339 N 
ATOM      4  H   LIG    1        1.464  -0.737  -1.761  0.00  0.00    +0.146 HD
ATOM      5  C   LIG    1        3.467  -1.217  -1.985  0.00  0.00    +0.076 C 
ATOM      6  C   LIG    1        4.449  -1.917  -1.073  0.00  0.00    +0.118 C 
ATOM      7  C   LIG    1        5.367  -0.927  -0.434  0.00  0.00    +0.219 C 
ATOM      8  N   LIG    1        4.905   0.220   0.121  0.00  0.00    -0.284 N 
ATOM      9  H   LIG    1        5.666   0.718   0.568  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        6.577  -1.163  -0.350  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        2.975  -2.184  -3.066  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        3.623   0.797   0.228  0.00  0.00    +0.055 A 
ATOM     13  C   LIG    1        3.599   1.953   1.039  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1        2.421   2.646   1.304  0.00  0.00    +0.003 A 
ATOM     15  C   LIG    1        1.230   2.187   0.769  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  18
ATOM     16  N   LIG    1       -1.165   0.674   0.251  0.00  0.00    -0.304 N 
ATOM     17  H   LIG    1       -0.981   0.789   1.240  0.00  0.00    +0.150 HD
ATOM     18  C   LIG    1       -0.088   0.602  -0.606  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1       -0.158   0.181  -1.757  0.00  0.00    -0.270 OA
BRANCH  16  20
ATOM     20  C   LIG    1       -2.477   0.159  -0.124  0.00  0.00    +0.103 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.276  -0.109   1.142  0.00  0.00    -0.027 A 
ATOM     22  C   LIG    1       -3.533  -1.431   1.537  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -4.248  -1.700   2.705  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.710  -0.652   3.498  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -4.455   0.666   3.126  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.740   0.937   1.958  0.00  0.00    +0.005 A 
ENDBRANCH  20  21
BRANCH  20  28
ATOM     27  C   LIG    1       -4.496   0.543  -1.645  0.00  0.00    +0.006 C 
ATOM     28  C   LIG    1       -3.189   1.112  -1.107  0.00  0.00    +0.024 C 
ENDBRANCH  20  28
ENDBRANCH  16  20
ENDBRANCH   1  18
TORSDOF 4