REMARK  Name = BDB003655
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.674  -2.641   0.997  0.00  0.00    +0.066 C 
ATOM      2  C   LIG    1       -1.332  -1.338   0.687  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1       -0.756  -0.165   0.367  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.878   0.749   0.019  0.00  0.00    +0.281 A 
ATOM      5  O   LIG    1       -1.714   1.902  -0.344  0.00  0.00    -0.265 OA
ATOM      6  N   LIG    1       -3.051   0.013   0.199  0.00  0.00    -0.219 N 
ATOM      7  N   LIG    1       -2.723  -1.272   0.658  0.00  0.00    -0.294 N 
ATOM      8  H   LIG    1       -3.125  -2.014   0.083  0.00  0.00    +0.187 HD
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -4.398   0.410   0.058  0.00  0.00    +0.067 A 
ATOM     10  C   LIG    1       -4.735   1.665  -0.465  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -6.072   2.050  -0.611  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -7.095   1.185  -0.233  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -6.781  -0.064   0.295  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.443  -0.447   0.439  0.00  0.00    +0.028 A 
ENDBRANCH   6   9
BRANCH   3  15
ATOM     15  C   LIG    1        0.662   0.201   0.254  0.00  0.00    +0.145 C 
ATOM     16  N   LIG    1        1.616  -0.453   0.840  0.00  0.00    -0.187 NA
BRANCH  16  17
ATOM     17  N   LIG    1        2.908  -0.045   0.615  0.00  0.00    -0.203 N 
ATOM     18  H   LIG    1        3.553  -0.336   1.337  0.00  0.00    +0.178 HD
ATOM     19  C   LIG    1        3.416   0.392  -0.605  0.00  0.00    +0.267 C 
ATOM     20  O   LIG    1        2.733   0.621  -1.599  0.00  0.00    -0.268 OA
BRANCH  19  21
ATOM     21  C   LIG    1        4.861   0.603  -0.635  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1        5.866  -0.026   0.089  0.00  0.00    +0.114 A 
ATOM     23  C   LIG    1        5.914  -1.115   1.091  0.00  0.00    +0.087 C 
ATOM     24  O   LIG    1        7.085   0.482  -0.255  0.00  0.00    -0.467 OA
ATOM     25  C   LIG    1        6.882   1.409  -1.221  0.00  0.00    +0.196 A 
ATOM     26  C   LIG    1        5.544   1.511  -1.504  0.00  0.00    +0.054 A 
ENDBRANCH  19  21
ENDBRANCH  16  17
ENDBRANCH   3  15
TORSDOF 4