REMARK  Name = BDB022041
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.759  -0.844   0.097  0.00  0.00    +0.033 A 
ATOM      2  C   LIG    1       -1.688  -1.860   0.315  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -3.061  -1.607   0.190  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1       -3.532  -0.335  -0.152  0.00  0.00    -0.002 A 
ATOM      5  C   LIG    1       -2.597   0.681  -0.376  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1       -1.225   0.429  -0.253  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.968  -0.087  -0.280  0.00  0.00    +0.047 A 
ATOM      8  N   LIG    1       -5.566   1.095   0.100  0.00  0.00    -0.354 N 
ATOM      9  H   LIG    1       -5.080   1.880   0.508  0.00  0.00    +0.166 HD
ATOM     10  C   LIG    1       -6.924   1.058  -0.119  0.00  0.00    +0.047 A 
ATOM     11  C   LIG    1       -7.216  -0.195  -0.650  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -8.552  -0.502  -0.970  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1       -9.547   0.456  -0.745  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -9.226   1.702  -0.210  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1       -7.905   2.029   0.115  0.00  0.00    +0.026 A 
ATOM     16  C   LIG    1       -5.987  -0.904  -0.740  0.00  0.00    +0.036 A 
ENDBRANCH   4   7
BRANCH   1  18
ATOM     17  C   LIG    1        1.328  -2.159   0.542  0.00  0.00    +0.220 C 
ATOM     18  N   LIG    1        0.639  -1.012   0.196  0.00  0.00    -0.285 N 
ATOM     19  H   LIG    1        1.184  -0.182   0.008  0.00  0.00    +0.155 HD
ATOM     20  O   LIG    1        0.829  -3.238   0.849  0.00  0.00    -0.275 OA
BRANCH  17  25
ATOM     21  C   LIG    1        5.667   1.229  -0.228  0.00  0.00    +0.241 C 
ATOM     22  N   LIG    1        4.792   0.175   0.047  0.00  0.00    -0.300 N 
ATOM     23  C   LIG    1        3.848  -0.216  -0.997  0.00  0.00    +0.108 C 
ATOM     24  C   LIG    1        3.390  -1.665  -0.866  0.00  0.00    +0.032 C 
ATOM     25  C   LIG    1        2.850  -2.009   0.531  0.00  0.00    +0.078 C 
ATOM     26  C   LIG    1        3.328  -1.042   1.619  0.00  0.00    +0.032 C 
ATOM     27  C   LIG    1        4.732  -0.533   1.325  0.00  0.00    +0.108 C 
ATOM     28  O   LIG    1        5.599   1.858  -1.286  0.00  0.00    -0.273 OA
BRANCH  21  29
ATOM     29  C   LIG    1        6.728   1.558   0.846  0.00  0.00    +0.255 C 
BRANCH  29  31
ATOM     30  C   LIG    1        8.655   2.030  -0.443  0.00  0.00    +0.194 C 
ATOM     31  O   LIG    1        7.721   2.516   0.511  0.00  0.00    -0.374 OA
ENDBRANCH  29  31
ENDBRANCH  21  29
ENDBRANCH  17  25
ENDBRANCH   1  18
TORSDOF 5