REMARK  Name = BDB009053
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.551   2.124   0.168  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.611   1.650   0.945  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.891   2.226   0.853  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.088   3.312  -0.011  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -2.038   3.789  -0.790  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.779   3.195  -0.705  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.233   0.584   1.018  0.00  0.00    +0.248 C 
ATOM      8  N   LIG    1        0.753   1.585   0.193  0.00  0.00    -0.281 N 
ATOM      9  H   LIG    1        1.423   2.037  -0.414  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        0.633   0.022   1.925  0.00  0.00    -0.270 OA
BRANCH   7  14
ATOM     11  C   LIG    1        5.333  -0.539   0.375  0.00  0.00    +0.121 A 
ATOM     12  C   LIG    1        4.793  -0.484   1.663  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.458  -0.125   1.864  0.00  0.00    +0.016 A 
ATOM     14  C   LIG    1        2.652   0.202   0.770  0.00  0.00    +0.037 A 
ATOM     15  C   LIG    1        3.184   0.139  -0.523  0.00  0.00    +0.016 A 
ATOM     16  C   LIG    1        4.523  -0.226  -0.717  0.00  0.00    +0.046 A 
BRANCH  11  17
ATOM     17  O   LIG    1        6.649  -0.900   0.332  0.00  0.00    -0.489 OA
BRANCH  17  19
ATOM     18  C   LIG    1        8.349  -2.227  -0.661  0.00  0.00    +0.051 C 
ATOM     19  C   LIG    1        7.255  -1.196  -0.930  0.00  0.00    +0.167 C 
ATOM     20  C   LIG    1        7.867   0.071  -1.521  0.00  0.00    +0.051 C 
ENDBRANCH  17  19
ENDBRANCH  11  17
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  21
ATOM     21  C   LIG    1       -4.033   1.723   1.707  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -4.214   0.208   1.691  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.679  -0.474   0.441  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -5.028   0.315  -0.789  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.820  -0.495  -1.821  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -5.217  -1.882  -2.006  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.204  -2.655  -0.686  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -4.780  -1.814   0.487  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -4.464  -2.543   1.741  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -4.554  -3.765   1.817  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -4.086  -1.769   2.803  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -3.847  -2.247   3.666  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.949  -0.417   2.799  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6