REMARK  Name = BDB031167
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.308  -2.089   1.665  0.00  0.00    +0.144 C 
ATOM      2  N   LIG    1       -2.027  -1.224   0.718  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1       -1.536   0.012   0.343  0.00  0.00    +0.227 C 
ATOM      4  O   LIG    1       -0.530   0.478   0.889  0.00  0.00    -0.275 OA
ATOM      5  C   LIG    1       -3.381  -1.724   0.485  0.00  0.00    +0.140 C 
ATOM      6  C   LIG    1       -3.641  -2.652   1.672  0.00  0.00    +0.134 C 
ATOM      7  C   LIG    1       -2.273  -3.247   1.960  0.00  0.00    +0.063 C 
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        2.105  -2.408   0.360  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        1.069  -1.726   0.953  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1        1.043  -0.740   1.188  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1       -0.013  -2.566   1.073  0.00  0.00    +0.128 A 
ATOM     12  N   LIG    1        0.288  -3.765   0.616  0.00  0.00    -0.238 NA
ATOM     13  C   LIG    1        1.588  -3.680   0.184  0.00  0.00    +0.139 A 
BRANCH   8  17
ATOM     14  C   LIG    1        5.938  -0.716  -0.561  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1        5.778  -2.097  -0.435  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        4.529  -2.647  -0.128  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        3.410  -1.826   0.049  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1        3.579  -0.440  -0.084  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        4.832   0.112  -0.387  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1        7.415   1.087  -1.023  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        7.208  -0.311  -0.866  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   8  17
ENDBRANCH   1  11
BRANCH   6  22
ATOM     22  O   LIG    1       -4.102  -1.923   2.811  0.00  0.00    -0.390 OA
ATOM     23  H   LIG    1       -3.628  -1.072   2.855  0.00  0.00    +0.210 HD
ENDBRANCH   6  22
BRANCH   3  24
ATOM     24  C   LIG    1       -2.249   0.753  -0.800  0.00  0.00    +0.146 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.795   2.051  -0.299  0.00  0.00    +0.153 A 
ATOM     26  O   LIG    1       -3.864   2.545  -0.994  0.00  0.00    -0.355 OA
ATOM     27  N   LIG    1       -4.258   3.754  -0.446  0.00  0.00    -0.040 NA
ATOM     28  C   LIG    1       -3.417   3.963   0.568  0.00  0.00    +0.255 A 
ATOM     29  C   LIG    1       -2.474   2.932   0.708  0.00  0.00    +0.115 A 
BRANCH  28  30
ATOM     30  O   LIG    1       -3.504   5.058   1.353  0.00  0.00    -0.478 OA
ATOM     31  C   LIG    1       -4.514   5.982   0.960  0.00  0.00    +0.279 C 
ENDBRANCH  28  30
ENDBRANCH  24  25
BRANCH  24  32
ATOM     32  C   LIG    1       -1.348   0.941  -2.052  0.00  0.00    +0.002 C 
ATOM     33  C   LIG    1       -0.986  -0.410  -2.682  0.00  0.00    +0.008 C 
ATOM     34  C   LIG    1       -0.069   1.757  -1.824  0.00  0.00    +0.008 C 
ENDBRANCH  24  32
ENDBRANCH   3  24
TORSDOF 8