REMARK  Name = BDB058984
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.854  -0.870   0.713  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -0.416  -0.351   1.011  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.902   0.772   0.333  0.00  0.00    +0.038 A 
ATOM      4  C   LIG    1       -0.098   1.410  -0.622  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        1.185   0.927  -0.920  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1        1.635  -0.228  -0.261  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -0.046  -3.660   0.081  0.00  0.00    +0.066 C 
ATOM      8  C   LIG    1        0.958  -3.357   1.157  0.00  0.00    +0.049 A 
ATOM      9  C   LIG    1        1.373  -2.041   1.429  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1        2.335  -1.867   2.436  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        2.831  -2.966   3.128  0.00  0.00    +0.060 A 
ATOM     12  C   LIG    1        2.350  -4.216   2.793  0.00  0.00    +0.213 A 
ATOM     13  F   LIG    1        2.819  -5.280   3.459  0.00  0.00    -0.184 F 
ATOM     14  N   LIG    1        1.431  -4.437   1.833  0.00  0.00    -0.224 NA
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -2.250   1.345   0.612  0.00  0.00    +0.244 C 
ATOM     16  N   LIG    1       -3.200   0.475   1.102  0.00  0.00    -0.307 N 
ATOM     17  H   LIG    1       -3.026  -0.519   1.068  0.00  0.00    +0.149 HD
ATOM     18  O   LIG    1       -2.474   2.525   0.368  0.00  0.00    -0.270 OA
BRANCH  16  19
ATOM     19  C   LIG    1       -4.571   0.892   1.293  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -5.410   0.538   0.092  0.00  0.00    -0.029 A 
ATOM     21  C   LIG    1       -6.114  -0.674   0.040  0.00  0.00    +0.026 A 
ATOM     22  C   LIG    1       -6.869  -1.012  -1.090  0.00  0.00    +0.060 A 
ATOM     23 CL   LIG    1       -7.706  -2.524  -1.071  0.00  0.00    -0.082 Cl
ATOM     24  C   LIG    1       -6.922  -0.139  -2.182  0.00  0.00    +0.059 A 
ATOM     25 CL   LIG    1       -7.830  -0.491  -3.608  0.00  0.00    -0.082 Cl
ATOM     26  C   LIG    1       -6.217   1.066  -2.140  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -5.463   1.400  -1.012  0.00  0.00    +0.007 A 
ENDBRANCH  19  20
ENDBRANCH  16  19
ENDBRANCH   3  15
BRANCH   5  28
ATOM     28  C   LIG    1        2.024   1.629  -1.969  0.00  0.00    +0.159 C 
BRANCH  28  29
ATOM     29  N   LIG    1        3.442   1.599  -1.673  0.00  0.00    -0.313 N 
ATOM     30  C   LIG    1        4.066   2.285  -0.622  0.00  0.00    +0.204 A 
ATOM     31  N   LIG    1        3.551   2.991   0.319  0.00  0.00    -0.268 NA
ATOM     32  H   LIG    1        2.535   2.990   0.226  0.00  0.00    +0.190 HD
ATOM     33  N   LIG    1        5.428   2.039  -0.816  0.00  0.00    -0.320 N 
ATOM     34  C   LIG    1        6.460   2.665  -0.027  0.00  0.00    +0.152 C 
ATOM     35  C   LIG    1        5.617   1.289  -1.965  0.00  0.00    +0.106 A 
ATOM     36  C   LIG    1        4.412   1.017  -2.484  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6