REMARK  Name = BDB034504
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.230   1.079   0.376  0.00  0.00    +0.133 C 
ATOM      2  N   LIG    1       -1.079   0.037  -0.639  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        0.168  -0.421  -1.082  0.00  0.00    +0.265 C 
ATOM      4  O   LIG    1        0.300  -0.965  -2.181  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.386  -0.283  -0.215  0.00  0.00    +0.128 A 
ATOM      6  N   LIG    1        1.205  -0.225   1.132  0.00  0.00    -0.248 NA
ATOM      7  C   LIG    1        2.321  -0.149   1.902  0.00  0.00    +0.141 A 
ATOM      8  C   LIG    1        3.619  -0.137   1.410  0.00  0.00    +0.108 A 
ATOM      9  N   LIG    1        4.719  -0.057   2.295  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1        5.934  -0.046   1.814  0.00  0.00    +0.143 A 
ATOM     11  C   LIG    1        6.131  -0.120   0.395  0.00  0.00    +0.106 A 
ATOM     12  N   LIG    1        5.064  -0.205  -0.462  0.00  0.00    -0.294 N 
ATOM     13  C   LIG    1        5.565  -0.269  -1.733  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1        6.881  -0.217  -1.737  0.00  0.00    -0.243 NA
ATOM     15  C   LIG    1        7.243  -0.117  -0.415  0.00  0.00    +0.142 A 
ATOM     16  C   LIG    1        3.749  -0.213   0.018  0.00  0.00    +0.077 A 
ATOM     17  C   LIG    1        2.639  -0.291  -0.819  0.00  0.00    +0.061 A 
BRANCH  10  18
ATOM     18  N   LIG    1        6.961   0.024   2.709  0.00  0.00    -0.341 N 
ATOM     19  H   LIG    1        6.659  -0.185   3.654  0.00  0.00    +0.144 HD
ATOM     20  H   LIG    1        7.813  -0.456   2.448  0.00  0.00    +0.144 HD
ENDBRANCH  10  18
ENDBRANCH   3   5
BRANCH   2  21
ATOM     21  C   LIG    1       -2.248  -0.379  -1.423  0.00  0.00    +0.147 C 
ATOM     22  C   LIG    1       -3.538  -0.378  -0.686  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -4.350   0.636  -1.170  0.00  0.00    +0.126 A 
ATOM     24  C   LIG    1       -5.599   0.891  -0.639  0.00  0.00    +0.061 A 
ATOM     25  C   LIG    1       -6.054   0.078   0.412  0.00  0.00    +0.093 A 
ATOM     26  C   LIG    1       -5.228  -0.951   0.890  0.00  0.00    +0.136 A 
ATOM     27  F   LIG    1       -5.652  -1.728   1.896  0.00  0.00    -0.205 F 
ATOM     28  O   LIG    1       -3.786   1.367  -2.181  0.00  0.00    -0.489 OA
ATOM     29  C   LIG    1       -3.964  -1.190   0.351  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -2.609   0.603  -2.558  0.00  0.00    +0.256 C 
BRANCH  25  31
ATOM     31  C   LIG    1       -7.397   0.282   1.044  0.00  0.00    +0.420 C 
ATOM     32  F   LIG    1       -7.320   0.580   2.370  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -8.204  -0.810   0.944  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -8.101   1.307   0.482  0.00  0.00    -0.166 F 
ENDBRANCH  25  31
ENDBRANCH   2  21
TORSDOF 4