REMARK  Name = BDB028232
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.082  -0.151  -0.830  0.00  0.00    +0.001 A 
ATOM      2  C   LIG    1       -1.096  -0.571  -0.193  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1       -2.214   0.273  -0.144  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -2.152   1.530  -0.737  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1       -3.329   2.412  -0.679  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1       -4.428   1.910  -0.027  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1       -5.250   2.504   0.023  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1       -4.522   0.687   0.561  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1       -3.314   3.528  -1.186  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1       -0.987   1.954  -1.384  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1       -3.489  -0.105   0.519  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        0.125   1.112  -1.432  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  19
ATOM     13  C   LIG    1        5.006   1.464   1.298  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1        4.351   0.310   0.595  0.00  0.00    +0.055 A 
ATOM     15  N   LIG    1        5.177  -0.780   0.344  0.00  0.00    -0.255 NA
ATOM     16  C   LIG    1        4.658  -1.820  -0.254  0.00  0.00    +0.157 A 
ATOM     17  C   LIG    1        3.280  -1.854  -0.652  0.00  0.00    +0.156 A 
ATOM     18  N   LIG    1        2.501  -0.754  -0.403  0.00  0.00    -0.296 N 
ATOM     19  C   LIG    1        1.236  -1.040  -0.883  0.00  0.00    +0.073 A 
ATOM     20  C   LIG    1        1.351  -2.332  -1.377  0.00  0.00    +0.140 A 
ATOM     21  N   LIG    1        2.623  -2.829  -1.235  0.00  0.00    -0.234 NA
ATOM     22  C   LIG    1        3.048   0.344   0.242  0.00  0.00    +0.116 A 
ENDBRANCH   1  19
BRANCH  11  23
ATOM     23  C   LIG    1       -3.585  -1.485   1.178  0.00  0.00    +0.136 C 
BRANCH  23  24
ATOM     24  N   LIG    1       -4.910  -1.693   1.775  0.00  0.00    -0.325 NA
ATOM     25  H   LIG    1       -5.607  -1.543   1.041  0.00  0.00    +0.119 HD
ATOM     26  H   LIG    1       -5.085  -0.916   2.417  0.00  0.00    +0.119 HD
ENDBRANCH  23  24
ENDBRANCH  11  23
TORSDOF 3