REMARK  Name = BDB061696
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.173  -0.493  -0.291  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        0.697  -1.621   0.226  0.00  0.00    -0.239 NA
ATOM      3  C   LIG    1       -0.149  -2.530   0.756  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -1.530  -2.370   0.808  0.00  0.00    +0.019 A 
ATOM      5  C   LIG    1       -2.068  -1.190   0.278  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -3.391  -0.943   0.284  0.00  0.00    -0.213 NA
ATOM      7  C   LIG    1       -4.208  -1.874   0.822  0.00  0.00    +0.215 A 
ATOM      8  C   LIG    1       -3.765  -3.065   1.368  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -2.400  -3.320   1.361  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -1.200  -0.259  -0.266  0.00  0.00    +0.072 A 
ENDROOT
BRANCH   1  11
ATOM     11  N   LIG    1        0.999   0.508  -0.849  0.00  0.00    -0.297 N 
ATOM     12  H   LIG    1        0.618   0.833  -1.734  0.00  0.00    +0.154 HD
BRANCH  11  17
ATOM     13  C   LIG    1        5.224   0.932  -0.913  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        4.431   1.487  -1.920  0.00  0.00    +0.068 A 
ATOM     15  C   LIG    1        3.047   1.316  -1.872  0.00  0.00    +0.146 A 
ATOM     16  F   LIG    1        2.300   1.864  -2.846  0.00  0.00    -0.203 F 
ATOM     17  C   LIG    1        2.410   0.588  -0.855  0.00  0.00    +0.068 A 
ATOM     18  C   LIG    1        3.214   0.063   0.159  0.00  0.00    +0.028 A 
ATOM     19  C   LIG    1        4.607   0.222   0.129  0.00  0.00    +0.030 A 
BRANCH  13  22
ATOM     20  C   LIG    1        8.664   0.869  -0.250  0.00  0.00    +0.089 A 
ATOM     21  N   LIG    1        7.403   0.542   0.067  0.00  0.00    -0.169 NA
ATOM     22  N   LIG    1        6.639   1.080  -0.921  0.00  0.00    -0.239 N 
ATOM     23  C   LIG    1        7.421   1.734  -1.850  0.00  0.00    +0.115 A 
ATOM     24  C   LIG    1        8.728   1.614  -1.442  0.00  0.00    +0.047 A 
BRANCH  20  25
ATOM     25  C   LIG    1        9.793   0.437   0.632  0.00  0.00    +0.213 C 
BRANCH  25  26
ATOM     26  O   LIG    1        9.340   0.026   1.923  0.00  0.00    -0.389 OA
ATOM     27  H   LIG    1        8.374  -0.092   1.810  0.00  0.00    +0.210 HD
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  13  22
ENDBRANCH  11  17
ENDBRANCH   1  11
BRANCH   7  28
ATOM     28  O   LIG    1       -5.572  -1.663   0.858  0.00  0.00    -0.473 OA
BRANCH  28  29
ATOM     29  C   LIG    1       -6.017  -0.431   0.273  0.00  0.00    +0.178 C 
ATOM     30  C   LIG    1       -5.926   0.712   1.289  0.00  0.00    +0.060 C 
ATOM     31  C   LIG    1       -6.586   1.973   0.744  0.00  0.00    +0.084 C 
ATOM     32  N   LIG    1       -7.982   1.740   0.367  0.00  0.00    -0.316 NA
ATOM     33  H   LIG    1       -8.511   1.472   1.198  0.00  0.00    +0.122 HD
ATOM     34  C   LIG    1       -8.089   0.675  -0.632  0.00  0.00    +0.084 C 
ATOM     35  C   LIG    1       -7.479  -0.631  -0.136  0.00  0.00    +0.060 C 
ENDBRANCH  28  29
ENDBRANCH   7  28
TORSDOF 7