REMARK  Name = BDB003827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.229  -0.829  -0.948  0.00  0.00    +0.133 C 
ENDROOT
BRANCH   1   3
ATOM      2  C   LIG    1       -1.146  -1.574   1.307  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1       -1.365  -0.642   0.097  0.00  0.00    +0.061 C 
ATOM      4  C   LIG    1       -1.351   0.811   0.585  0.00  0.00    +0.227 C 
ATOM      5  O   LIG    1       -0.780   1.157   1.618  0.00  0.00    -0.275 OA
ATOM      6  N   LIG    1       -1.877   1.748  -0.259  0.00  0.00    -0.256 N 
ATOM      7  H   LIG    1       -1.414   2.620  -0.009  0.00  0.00    +0.157 HD
ATOM      8  C   LIG    1       -3.198   2.045  -0.083  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -3.535   3.172   0.277  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -4.224   0.992  -0.440  0.00  0.00    +0.096 C 
ATOM     11  C   LIG    1       -3.941  -0.414   0.073  0.00  0.00    +0.010 C 
ATOM     12  C   LIG    1       -2.704  -1.021  -0.586  0.00  0.00    +0.018 C 
ENDBRANCH   1   3
BRANCH   1  13
ATOM     13  N   LIG    1        1.107  -0.506  -0.472  0.00  0.00    -0.233 N 
ATOM     14  C   LIG    1        1.662   0.745  -0.540  0.00  0.00    +0.254 C 
ATOM     15  O   LIG    1        1.186   1.765  -1.002  0.00  0.00    -0.270 OA
ATOM     16  C   LIG    1        2.996   0.642   0.046  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        3.188  -0.677   0.417  0.00  0.00    +0.049 A 
ATOM     18  C   LIG    1        4.362  -1.109   1.001  0.00  0.00    +0.014 A 
ATOM     19  C   LIG    1        5.362  -0.153   1.209  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        5.165   1.193   0.831  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        3.967   1.605   0.239  0.00  0.00    +0.014 A 
ATOM     22  C   LIG    1        1.975  -1.415   0.069  0.00  0.00    +0.254 C 
ATOM     23  O   LIG    1        1.825  -2.610   0.239  0.00  0.00    -0.270 OA
ENDBRANCH   1  13
TORSDOF 2