REMARK  Name = BDB052370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.171  -0.266  -1.027  0.00  0.00    -0.027 A 
ATOM      2  C   LIG    1       -2.360  -0.934  -0.100  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -1.101  -0.436   0.251  0.00  0.00    +0.121 A 
ATOM      4  C   LIG    1       -0.640   0.740  -0.341  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1       -1.437   1.412  -1.271  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.693   0.913  -1.613  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -4.537  -0.803  -1.384  0.00  0.00    +0.147 C 
BRANCH   7   9
ATOM      8  C   LIG    1       -6.430   0.824  -1.583  0.00  0.00    +0.403 C 
ATOM      9  N   LIG    1       -5.632  -0.015  -0.829  0.00  0.00    -0.252 N 
ATOM     10  O   LIG    1       -7.336   1.502  -1.111  0.00  0.00    -0.226 OA
BRANCH   8  12
ATOM     11  C   LIG    1       -6.896   1.698  -3.704  0.00  0.00    +0.282 C 
ATOM     12  O   LIG    1       -6.108   0.815  -2.906  0.00  0.00    -0.454 OA
ENDBRANCH   8  12
BRANCH   9  13
ATOM     13  C   LIG    1       -5.837  -0.029   0.620  0.00  0.00    +0.231 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -5.212   1.130   1.390  0.00  0.00    +0.322 C 
ATOM     15  O   LIG    1       -5.177   1.218   2.610  0.00  0.00    -0.249 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.704   2.123   0.635  0.00  0.00    -0.480 OA
ATOM     17  H   LIG    1       -4.358   2.768   1.285  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   3  18
ATOM     18  O   LIG    1       -0.424  -1.208   1.153  0.00  0.00    -0.486 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.771  -0.686   1.747  0.00  0.00    +0.287 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.011  -0.985   0.978  0.00  0.00    +0.117 A 
ATOM     21  N   LIG    1        3.254  -0.630   1.469  0.00  0.00    -0.211 NA
ATOM     22  C   LIG    1        4.101  -1.054   0.549  0.00  0.00    +0.227 A 
ATOM     23  O   LIG    1        3.496  -1.641  -0.534  0.00  0.00    -0.443 OA
ATOM     24  C   LIG    1        2.168  -1.599  -0.243  0.00  0.00    +0.224 A 
BRANCH  22  25
ATOM     25  C   LIG    1        5.558  -0.980   0.529  0.00  0.00    +0.037 A 
ATOM     26  C   LIG    1        6.230  -0.277   1.541  0.00  0.00    +0.016 A 
ATOM     27  C   LIG    1        7.629  -0.171   1.551  0.00  0.00    -0.050 A 
ATOM     28  C   LIG    1        8.318   0.568   2.659  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1        8.364  -0.807   0.547  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1        7.714  -1.515  -0.459  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        6.320  -1.598  -0.472  0.00  0.00    +0.013 A 
ENDBRANCH  22  25
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   3  18
TORSDOF 10