REMARK  Name = BDB032830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.322  -2.107  -0.594  0.00  0.00    -0.010 A 
ATOM      2  C   LIG    1        2.159  -1.060  -1.007  0.00  0.00    +0.020 A 
ATOM      3  C   LIG    1        3.433  -1.007  -0.473  0.00  0.00    +0.042 A 
ATOM      4  C   LIG    1        4.498  -0.030  -0.724  0.00  0.00    +0.248 C 
ATOM      5  N   LIG    1        5.608  -0.454  -0.007  0.00  0.00    -0.282 N 
ATOM      6  C   LIG    1        5.297  -1.586   0.856  0.00  0.00    +0.144 C 
ATOM      7  O   LIG    1        4.380   0.958  -1.421  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        3.904  -1.934   0.453  0.00  0.00    -0.018 A 
ATOM      9  C   LIG    1        3.089  -2.966   0.881  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1        1.794  -3.047   0.354  0.00  0.00    +0.007 A 
ENDROOT
BRANCH   5  11
ATOM     11  C   LIG    1        6.808   0.349   0.200  0.00  0.00    +0.163 C 
ATOM     12  C   LIG    1        6.554   1.478   1.212  0.00  0.00    +0.240 C 
ATOM     13  O   LIG    1        5.756   1.387   2.144  0.00  0.00    -0.273 OA
ATOM     14  N   LIG    1        7.366   2.583   1.099  0.00  0.00    -0.255 N 
ATOM     15  H   LIG    1        7.221   3.309   1.786  0.00  0.00    +0.158 HD
ATOM     16  C   LIG    1        8.419   2.771   0.239  0.00  0.00    +0.219 C 
ATOM     17  O   LIG    1        9.153   3.750   0.343  0.00  0.00    -0.275 OA
ATOM     18  C   LIG    1        8.679   1.673  -0.766  0.00  0.00    +0.098 C 
ATOM     19  C   LIG    1        7.405   0.909  -1.091  0.00  0.00    +0.041 C 
ENDBRANCH   5  11
BRANCH   1  20
ATOM     20  C   LIG    1       -0.088  -2.201  -1.121  0.00  0.00    +0.269 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -0.905  -1.342  -0.322  0.00  0.00    -0.445 OA
BRANCH  21  24
ATOM     22  N   LIG    1       -2.878  -0.489   0.153  0.00  0.00    -0.250 N 
ATOM     23  H   LIG    1       -2.276  -0.032   0.825  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.217  -1.353  -0.671  0.00  0.00    +0.405 C 
ATOM     25  O   LIG    1       -2.677  -2.035  -1.573  0.00  0.00    -0.226 OA
BRANCH  22  29
ATOM     26  C   LIG    1       -6.921   0.592   0.366  0.00  0.00    +0.047 A 
ATOM     27  N   LIG    1       -6.013   1.128   1.218  0.00  0.00    -0.257 NA
ATOM     28  C   LIG    1       -4.719   0.741   1.098  0.00  0.00    +0.134 A 
ATOM     29  C   LIG    1       -4.248  -0.176   0.165  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1       -5.186  -0.724  -0.699  0.00  0.00    +0.027 A 
ATOM     31  C   LIG    1       -6.526  -0.339  -0.597  0.00  0.00    +0.026 A 
BRANCH  26  33
ATOM     32  C   LIG    1       -9.213   0.118   1.373  0.00  0.00    +0.017 C 
ATOM     33  C   LIG    1       -8.376   1.015   0.497  0.00  0.00    +0.010 C 
ATOM     34  C   LIG    1       -9.052   1.691  -0.685  0.00  0.00    +0.014 C 
ATOM     35  C   LIG    1       -8.688   2.502   0.522  0.00  0.00    +0.014 C 
ENDBRANCH  26  33
ENDBRANCH  22  29
ENDBRANCH  21  24
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 6