REMARK  Name = BDB046657
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.375  -0.171   0.334  0.00  0.00    +0.139 A 
ATOM      2  N   LIG    1        1.944  -1.132   1.136  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        1.450  -1.709   1.798  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1        3.290  -1.192   0.877  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1        3.492  -0.251  -0.129  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1        4.796  -0.071  -0.626  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1        5.845  -0.843  -0.091  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1        5.601  -1.778   0.917  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1        4.312  -1.974   1.424  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1        2.303   0.373  -0.432  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1       -2.793   0.875   0.226  0.00  0.00    -0.033 A 
ATOM     12  C   LIG    1       -2.293   0.088   1.272  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -0.939  -0.262   1.322  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1       -0.052   0.172   0.328  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.555   0.971  -0.709  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1       -1.908   1.319  -0.763  0.00  0.00    +0.005 A 
BRANCH  11  17
ATOM     17  C   LIG    1       -4.257   1.263   0.183  0.00  0.00    +0.119 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -6.546   0.568   0.438  0.00  0.00    +0.104 C 
ATOM     19  N   LIG    1       -5.173   0.108   0.227  0.00  0.00    -0.304 NA
ATOM     20  C   LIG    1       -5.098  -0.677  -1.008  0.00  0.00    +0.104 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   1  14
BRANCH   6  21
ATOM     21  C   LIG    1        5.061   0.898  -1.706  0.00  0.00    +0.244 C 
ATOM     22  O   LIG    1        4.367   0.992  -2.708  0.00  0.00    -0.270 OA
ATOM     23  N   LIG    1        6.160   1.698  -1.532  0.00  0.00    -0.325 N 
ATOM     24  H   LIG    1        6.567   1.829  -0.617  0.00  0.00    +0.145 HD
ATOM     25  H   LIG    1        6.250   2.457  -2.197  0.00  0.00    +0.145 HD
ENDBRANCH   6  21
TORSDOF 4