REMARK  Name = BDB008928
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.424   0.543  -1.649  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.602   0.794  -0.543  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -0.360   1.814  -0.591  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -0.465   2.587  -1.758  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.338   2.319  -2.869  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.276   1.290  -2.821  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        2.394  -1.365  -2.554  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        2.417  -0.556  -1.628  0.00  0.00    +0.247 C 
ATOM      9  N   LIG    1        3.325  -0.629  -0.579  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1        3.621   0.462   0.360  0.00  0.00    +0.123 C 
ATOM     11  C   LIG    1        5.102   0.468   0.781  0.00  0.00    +0.100 C 
ATOM     12  N   LIG    1        5.569  -0.789   1.390  0.00  0.00    -0.313 NA
ATOM     13  H   LIG    1        6.566  -0.891   1.207  0.00  0.00    +0.122 HD
ATOM     14  C   LIG    1        4.847  -1.965   0.871  0.00  0.00    +0.100 C 
ATOM     15  C   LIG    1        4.220  -1.784  -0.522  0.00  0.00    +0.123 C 
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  C   LIG    1       -1.238   2.130   0.600  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.765   0.900   1.333  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.962   0.178   0.800  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -3.636   0.628  -0.465  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.632  -0.394  -1.022  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.482  -0.999   0.089  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.604  -1.689   1.135  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.392  -0.881   1.508  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.668  -1.301   2.734  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -3.026  -2.270   3.397  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -1.581  -0.544   3.076  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -1.073  -0.815   3.912  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -1.123   0.546   2.407  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 3