REMARK  Name = BDB009211
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.910  -2.564   0.080  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.011  -1.871   0.903  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.307  -2.327   1.070  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.694  -3.518   0.440  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.793  -4.227  -0.358  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.505  -3.751  -0.539  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.446  -0.707  -0.174  0.00  0.00    -0.281 N 
ATOM      8  H   LIG    1        1.597  -0.159  -0.142  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.305  -2.084  -0.139  0.00  0.00    +0.248 C 
ATOM     10  O   LIG    1        3.185  -2.919  -0.304  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1        7.163   2.496  -0.795  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        5.939   1.644  -0.634  0.00  0.00    -0.009 A 
ATOM     13  C   LIG    1        4.667   2.216  -0.564  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1        3.526   1.424  -0.412  0.00  0.00    +0.069 A 
ATOM     15  C   LIG    1        3.640   0.030  -0.331  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        4.908  -0.548  -0.397  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        6.047   0.252  -0.548  0.00  0.00    +0.009 A 
BRANCH  13  18
ATOM     18  O   LIG    1        4.558   3.576  -0.646  0.00  0.00    -0.506 OA
ATOM     19  H   LIG    1        3.621   3.824  -0.595  0.00  0.00    +0.292 HD
ENDBRANCH  13  18
ENDBRANCH   7  15
ENDBRANCH   1   9
BRANCH   3  20
ATOM     20  C   LIG    1       -2.278  -1.572   1.951  0.00  0.00    +0.092 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -2.417  -0.102   1.559  0.00  0.00    +0.069 A 
ATOM     22  C   LIG    1       -3.418   0.298   0.521  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1       -4.287  -0.728  -0.151  0.00  0.00    +0.037 C 
ATOM     24  C   LIG    1       -5.018  -0.194  -1.386  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -5.586   1.197  -1.133  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.477   2.180  -0.756  0.00  0.00    +0.041 C 
ATOM     27  C   LIG    1       -3.495   1.608   0.229  0.00  0.00    +0.023 A 
ATOM     28  C   LIG    1       -2.594   2.576   0.902  0.00  0.00    +0.268 A 
ATOM     29  O   LIG    1       -2.617   3.774   0.641  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -1.731   2.049   1.824  0.00  0.00    -0.243 N 
ATOM     31  H   LIG    1       -1.123   2.698   2.313  0.00  0.00    +0.192 HD
ATOM     32  N   LIG    1       -1.627   0.737   2.163  0.00  0.00    -0.175 NA
ENDBRANCH  20  21
ENDBRANCH   3  20
TORSDOF 5