REMARK  Name = BDB008851
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.994  -2.926  -0.743  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.425  -2.423   0.435  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.890  -2.760   0.782  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.602  -3.638  -0.050  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.018  -4.165  -1.206  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.285  -3.814  -1.553  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  13
ATOM      7  C   LIG    1        2.817   3.933  -1.994  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1        3.868   2.884  -1.727  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1        3.430   1.572  -1.581  0.00  0.00    -0.299 N 
ATOM     10  C   LIG    1        4.427   0.576  -1.167  0.00  0.00    +0.126 C 
ATOM     11  C   LIG    1        4.057  -0.850  -1.587  0.00  0.00    +0.127 C 
ATOM     12  N   LIG    1        2.675  -1.190  -1.239  0.00  0.00    -0.295 N 
ATOM     13  C   LIG    1        2.374  -2.549  -1.117  0.00  0.00    +0.247 C 
ATOM     14  O   LIG    1        3.195  -3.448  -1.272  0.00  0.00    -0.270 OA
ATOM     15  C   LIG    1        1.685  -0.212  -1.705  0.00  0.00    +0.127 C 
ATOM     16  C   LIG    1        2.038   1.220  -1.283  0.00  0.00    +0.126 C 
ATOM     17  O   LIG    1        5.055   3.202  -1.659  0.00  0.00    -0.276 OA
ENDBRANCH   1  13
BRANCH   3  18
ATOM     18  C   LIG    1       -1.521  -2.214   2.043  0.00  0.00    +0.092 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.746  -1.344   1.768  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1       -2.577   0.127   1.544  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -1.218   0.767   1.580  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1       -1.199   2.195   1.026  0.00  0.00    +0.005 C 
ATOM     23  C   LIG    1       -2.394   2.995   1.526  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.709   2.328   1.120  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -3.697   0.837   1.319  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -5.015   0.155   1.272  0.00  0.00    +0.268 A 
ATOM     27  O   LIG    1       -6.051   0.768   1.042  0.00  0.00    -0.266 OA
ATOM     28  N   LIG    1       -4.998  -1.194   1.499  0.00  0.00    -0.243 N 
ATOM     29  H   LIG    1       -5.889  -1.679   1.475  0.00  0.00    +0.192 HD
ATOM     30  N   LIG    1       -3.897  -1.950   1.745  0.00  0.00    -0.175 NA
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 3