REMARK  Name = BDB021460
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.329   0.922   1.984  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1        0.739  -0.088   1.400  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -0.050  -1.235   1.429  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1        0.183  -2.386   0.574  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1        1.588  -2.913   0.760  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        2.457  -2.314  -0.183  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        2.757  -0.995  -0.011  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        3.958  -0.674  -0.682  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        4.503   0.613  -0.667  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.816   1.606   0.024  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.617   1.304   0.677  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        2.052   0.005   0.672  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -1.359  -1.166   2.111  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.452  -0.507   1.239  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -2.312   0.923   1.262  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -1.372   1.129   1.458  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -3.861  -0.877   1.771  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -4.961  -0.739   0.789  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -5.074   0.648   0.287  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -6.323   0.911  -0.534  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -7.429   0.046  -0.477  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -8.575   0.328  -1.232  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -8.635   1.477  -2.019  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -7.549   2.349  -2.063  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -7.351  -1.211   0.348  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -6.400   2.069  -1.323  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -6.237  -1.147   1.400  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        5.790   0.922  -1.402  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.813   1.533  -0.531  0.00  0.00    -0.295 NA
ATOM     30  C   LIG    1        7.980   1.969  -1.327  0.00  0.00    +0.121 C 
ATOM     31  C   LIG    1        8.885   0.752  -1.468  0.00  0.00    +0.181 C 
ATOM     32  F   LIG    1        8.623   0.129  -2.651  0.00  0.00    -0.244 F 
ATOM     33  C   LIG    1        8.494  -0.176  -0.332  0.00  0.00    +0.053 C 
ATOM     34  C   LIG    1        7.389   0.562   0.414  0.00  0.00    +0.087 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7