REMARK  Name = BDB059785
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.342   0.134   0.158  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1       -0.142  -0.292  -1.154  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        0.839  -1.155  -1.464  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.941   0.184  -2.191  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.965   1.094  -1.922  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.205   1.528  -0.610  0.00  0.00    -0.027 A 
ATOM      7  C   LIG    1       -1.377   1.050   0.419  0.00  0.00    +0.021 A 
ENDROOT
BRANCH   1   9
ATOM      8  O   LIG    1        0.293   0.131   2.426  0.00  0.00    -0.270 OA
ATOM      9  C   LIG    1        0.506  -0.313   1.301  0.00  0.00    +0.247 C 
ATOM     10  N   LIG    1        1.523  -1.203   1.034  0.00  0.00    -0.307 N 
ATOM     11  H   LIG    1        1.785  -1.348   0.063  0.00  0.00    +0.149 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.570  -1.469   2.017  0.00  0.00    +0.088 C 
ATOM     13  C   LIG    1        3.671  -0.408   1.948  0.00  0.00    +0.106 C 
ATOM     14  N   LIG    1        4.473  -0.878   0.807  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        4.622  -2.321   1.024  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        3.312  -2.762   1.678  0.00  0.00    +0.039 C 
BRANCH  14  17
ATOM     17  C   LIG    1        5.742  -0.165   0.699  0.00  0.00    +0.088 C 
BRANCH  17  18
ATOM     18  C   LIG    1        6.424  -0.535  -0.586  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        7.524  -1.567  -0.615  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        7.852  -0.115  -0.830  0.00  0.00    +0.005 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  10  12
ENDBRANCH   1   9
BRANCH   6  21
ATOM     21  C   LIG    1       -3.294   2.538  -0.303  0.00  0.00    +0.162 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.610   2.167  -0.829  0.00  0.00    -0.289 N 
ATOM     23  C   LIG    1       -5.421   1.189  -0.174  0.00  0.00    +0.059 A 
ATOM     24  C   LIG    1       -6.663   0.845  -0.721  0.00  0.00    +0.063 A 
ATOM     25  C   LIG    1       -7.491  -0.113  -0.120  0.00  0.00    +0.015 A 
ATOM     26  C   LIG    1       -7.082  -0.745   1.050  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.853  -0.416   1.613  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -7.111   1.508  -1.955  0.00  0.00    +0.262 A 
ATOM     29  O   LIG    1       -8.178   1.237  -2.491  0.00  0.00    -0.267 OA
ATOM     30  N   LIG    1       -6.263   2.444  -2.470  0.00  0.00    -0.274 N 
ATOM     31  H   LIG    1       -6.552   2.898  -3.325  0.00  0.00    +0.173 HD
ATOM     32  C   LIG    1       -5.029   0.543   1.008  0.00  0.00    +0.027 A 
ATOM     33  C   LIG    1       -5.031   2.790  -1.994  0.00  0.00    +0.330 A 
ATOM     34  O   LIG    1       -4.360   3.616  -2.615  0.00  0.00    -0.246 OA
ENDBRANCH  21  22
ENDBRANCH   6  21
TORSDOF 6