REMARK  Name = BDB003855
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.979  -0.385   0.027  0.00  0.00    +0.055 C 
ATOM      2  C   LIG    1       -0.990  -1.573   0.862  0.00  0.00    +0.010 C 
ATOM      3  C   LIG    1        0.105  -1.973   1.524  0.00  0.00    -0.025 C 
ATOM      4  C   LIG    1        1.401  -1.221   1.435  0.00  0.00    +0.035 C 
ATOM      5  C   LIG    1        1.542  -0.332   0.169  0.00  0.00    +0.028 C 
ATOM      6  C   LIG    1        0.193   0.195  -0.303  0.00  0.00    -0.008 C 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        2.583   0.811   0.384  0.00  0.00    +0.082 C 
ATOM      8  C   LIG    1        2.821   1.595  -0.904  0.00  0.00    +0.223 C 
ATOM      9  O   LIG    1        2.581   2.796  -0.992  0.00  0.00    -0.275 OA
ATOM     10  N   LIG    1        3.236   0.875  -1.993  0.00  0.00    -0.256 N 
ATOM     11  H   LIG    1        2.973   1.372  -2.840  0.00  0.00    +0.157 HD
ATOM     12  C   LIG    1        4.554   0.574  -2.191  0.00  0.00    +0.219 C 
ATOM     13  O   LIG    1        5.035   0.731  -3.314  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        5.430   0.171  -1.028  0.00  0.00    +0.096 C 
ATOM     15  C   LIG    1        4.742  -0.572   0.105  0.00  0.00    +0.010 C 
ATOM     16  C   LIG    1        3.922   0.365   0.987  0.00  0.00    +0.014 C 
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1       -2.235   0.204  -0.546  0.00  0.00    +0.339 C 
ATOM     18  O   LIG    1       -2.250   1.061  -1.417  0.00  0.00    -0.245 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -3.320  -0.347   0.052  0.00  0.00    -0.455 OA
BRANCH  19  21
ATOM     20  C   LIG    1       -5.586  -0.779   0.573  0.00  0.00    +0.055 C 
ATOM     21  C   LIG    1       -4.661   0.065  -0.317  0.00  0.00    +0.106 C 
ATOM     22  C   LIG    1       -4.895   1.546  -0.001  0.00  0.00    +0.055 C 
ATOM     23  C   LIG    1       -4.961  -0.263  -1.784  0.00  0.00    +0.055 C 
ENDBRANCH  19  21
ENDBRANCH  17  19
ENDBRANCH   1  17
TORSDOF 4