REMARK  Name = BDB061425
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.250  -0.063   0.283  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        0.789   0.696   0.829  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1        2.125   0.274   0.741  0.00  0.00    -0.014 A 
ATOM      4  C   LIG    1        2.423  -0.941   0.088  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        3.760  -1.366  -0.001  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        4.798  -0.598   0.541  0.00  0.00    -0.023 A 
ATOM      7  C   LIG    1        4.495   0.599   1.194  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1        1.373  -1.697  -0.456  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1        3.171   1.033   1.289  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1        0.046  -1.262  -0.360  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        6.175  -1.093   0.460  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1        7.185  -0.531  -0.218  0.00  0.00    +0.080 C 
ATOM     13  C   LIG    1        7.169   0.703  -1.057  0.00  0.00    +0.258 C 
ATOM     14  O   LIG    1        6.211   1.424  -1.275  0.00  0.00    -0.269 OA
ATOM     15  N   LIG    1        8.411   0.926  -1.574  0.00  0.00    -0.243 N 
ATOM     16  H   LIG    1        8.583   1.713  -2.177  0.00  0.00    +0.159 HD
ATOM     17  C   LIG    1        9.398   0.042  -1.290  0.00  0.00    +0.283 C 
ATOM     18  O   LIG    1       10.546   0.096  -1.697  0.00  0.00    -0.262 OA
ATOM     19  S   LIG    1        8.780  -1.216  -0.243  0.00  0.00    -0.026 S 
ENDBRANCH   6  11
BRANCH   1  20
ATOM     20  O   LIG    1       -1.495   0.477   0.449  0.00  0.00    -0.483 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -2.592  -0.228  -0.112  0.00  0.00    +0.324 C 
BRANCH  21  23
ATOM     22  O   LIG    1       -3.993   1.548   0.777  0.00  0.00    -0.272 OA
ATOM     23  C   LIG    1       -3.919   0.502   0.141  0.00  0.00    +0.255 C 
ATOM     24  N   LIG    1       -4.991  -0.170  -0.433  0.00  0.00    -0.280 N 
ATOM     25  H   LIG    1       -4.797  -1.030  -0.936  0.00  0.00    +0.155 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -6.354   0.200  -0.407  0.00  0.00    +0.069 A 
ATOM     27  C   LIG    1       -7.254  -0.651  -1.065  0.00  0.00    +0.146 A 
ATOM     28  F   LIG    1       -6.789  -1.753  -1.676  0.00  0.00    -0.204 F 
ATOM     29  C   LIG    1       -8.620  -0.388  -1.105  0.00  0.00    +0.055 A 
ATOM     30  C   LIG    1       -9.101   0.753  -0.473  0.00  0.00    +0.021 A 
ATOM     31 BR   LIG    1      -10.951   1.136  -0.511  0.00  0.00    -0.050 Br
ATOM     32  C   LIG    1       -8.228   1.616   0.189  0.00  0.00    +0.017 A 
ATOM     33  C   LIG    1       -6.855   1.339   0.222  0.00  0.00    +0.027 A 
ENDBRANCH  24  26
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH   1  20
TORSDOF 5