REMARK  Name = BDB017715
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.090  -0.908   1.948  0.00  0.00    -0.029 A 
ATOM      2  C   LIG    1       -1.675  -1.698   0.948  0.00  0.00    +0.031 A 
ATOM      3  C   LIG    1       -2.767  -1.221   0.213  0.00  0.00    +0.054 A 
ATOM      4  C   LIG    1       -3.316   0.046   0.454  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1       -4.478   0.480  -0.355  0.00  0.00    +0.048 A 
ATOM      6  N   LIG    1       -5.054   1.719  -0.117  0.00  0.00    -0.343 N 
ATOM      7  H   LIG    1       -4.473   2.367   0.416  0.00  0.00    +0.146 HD
ATOM      8  C   LIG    1       -5.971   2.328  -1.066  0.00  0.00    +0.102 C 
ATOM      9  C   LIG    1       -6.921   1.258  -1.592  0.00  0.00    +0.023 C 
ATOM     10  C   LIG    1       -6.147   0.062  -2.162  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1       -4.966  -0.333  -1.313  0.00  0.00    +0.038 A 
ATOM     12  C   LIG    1       -4.363  -1.666  -1.576  0.00  0.00    +0.254 A 
ATOM     13  O   LIG    1       -4.784  -2.409  -2.457  0.00  0.00    -0.268 OA
ATOM     14  C   LIG    1       -2.720   0.823   1.454  0.00  0.00    +0.135 A 
ATOM     15  F   LIG    1       -3.174   2.058   1.728  0.00  0.00    -0.205 F 
ATOM     16  N   LIG    1       -3.309  -2.034  -0.788  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -2.920  -2.946  -0.982  0.00  0.00    +0.169 HD
ATOM     18  C   LIG    1       -1.631   0.359   2.194  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  19
ATOM     19  C   LIG    1        0.092  -1.414   2.745  0.00  0.00    +0.119 C 
BRANCH  19  23
ATOM     20  N   LIG    1        3.525  -0.052   0.478  0.00  0.00    -0.327 N 
ATOM     21  C   LIG    1        3.223   0.580   1.782  0.00  0.00    +0.120 C 
ATOM     22  C   LIG    1        1.751   0.325   2.186  0.00  0.00    +0.103 C 
ATOM     23  N   LIG    1        1.429  -1.112   2.224  0.00  0.00    -0.295 NA
ATOM     24  C   LIG    1        1.717  -1.720   0.912  0.00  0.00    +0.103 C 
ATOM     25  C   LIG    1        3.183  -1.498   0.465  0.00  0.00    +0.120 C 
BRANCH  20  30
ATOM     26  C   LIG    1        7.154   0.882  -1.510  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1        6.109   0.250  -2.170  0.00  0.00    +0.142 A 
ATOM     28  F   LIG    1        6.220  -0.074  -3.466  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1        4.921  -0.055  -1.504  0.00  0.00    +0.062 A 
ATOM     30  C   LIG    1        4.741   0.257  -0.147  0.00  0.00    +0.033 A 
ATOM     31  C   LIG    1        5.802   0.910   0.502  0.00  0.00    +0.024 A 
ATOM     32  C   LIG    1        6.997   1.216  -0.164  0.00  0.00    +0.023 A 
BRANCH  26  34
ATOM     33  N   LIG    1        9.368   1.452  -2.726  0.00  0.00    -0.191 NA
ATOM     34  C   LIG    1        8.368   1.190  -2.198  0.00  0.00    +0.102 C 
ENDBRANCH  26  34
ENDBRANCH  20  30
ENDBRANCH  19  23
ENDBRANCH   1  19
TORSDOF 4