REMARK  Name = BDB009264
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.739  -2.523   0.385  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        1.706  -2.273  -0.599  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        3.046  -2.639  -0.396  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        3.392  -3.297   0.794  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        2.428  -3.561   1.769  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.103  -3.175   1.568  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1       -1.407  -1.743   1.225  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1       -0.934  -1.596   2.106  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1       -0.667  -2.111   0.120  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1       -1.095  -2.083  -1.026  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1       -2.764  -1.239   1.095  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -2.799   0.229   0.658  0.00  0.00    +0.057 C 
BRANCH  12  16
ATOM     13  C   LIG    1       -6.731   1.970   1.128  0.00  0.00    +0.124 A 
ATOM     14  C   LIG    1       -6.468   1.118   0.050  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -5.203   0.547  -0.125  0.00  0.00    +0.127 A 
ATOM     16  C   LIG    1       -4.181   0.833   0.796  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1       -4.452   1.686   1.877  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -5.719   2.253   2.042  0.00  0.00    +0.046 A 
BRANCH  13  20
ATOM     19  C   LIG    1       -8.324   3.349   2.232  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -8.011   2.454   1.172  0.00  0.00    -0.495 OA
ENDBRANCH  13  20
BRANCH  15  21
ATOM     21  O   LIG    1       -4.863  -0.298  -1.147  0.00  0.00    -0.495 OA
ATOM     22  C   LIG    1       -5.843  -0.558  -2.142  0.00  0.00    +0.277 C 
ENDBRANCH  15  21
ENDBRANCH  12  16
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1        4.091  -2.385  -1.460  0.00  0.00    +0.092 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.141  -0.937  -1.939  0.00  0.00    +0.069 A 
ATOM     25  C   LIG    1        4.933   0.072  -1.167  0.00  0.00    -0.016 A 
ATOM     26  C   LIG    1        5.663  -0.313   0.088  0.00  0.00    +0.037 C 
ATOM     27  C   LIG    1        6.162   0.888   0.898  0.00  0.00    +0.005 C 
ATOM     28  C   LIG    1        6.767   1.953  -0.007  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1        5.743   2.444  -1.032  0.00  0.00    +0.041 C 
ATOM     30  C   LIG    1        4.957   1.324  -1.657  0.00  0.00    +0.023 A 
ATOM     31  C   LIG    1        4.193   1.659  -2.886  0.00  0.00    +0.268 A 
ATOM     32  O   LIG    1        4.176   2.796  -3.345  0.00  0.00    -0.266 OA
ATOM     33  N   LIG    1        3.515   0.624  -3.468  0.00  0.00    -0.243 N 
ATOM     34  H   LIG    1        2.980   0.830  -4.306  0.00  0.00    +0.192 HD
ATOM     35  N   LIG    1        3.481  -0.660  -3.024  0.00  0.00    -0.175 NA
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 8