REMARK  Name = BDB042525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.560   2.734   1.537  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.541   1.784   0.753  0.00  0.00    +0.216 C 
ATOM      3  N   LIG    1       -1.708   1.163   0.317  0.00  0.00    -0.297 N 
ATOM      4  C   LIG    1       -1.779   0.278  -0.845  0.00  0.00    +0.113 C 
ATOM      5  C   LIG    1       -2.805  -0.841  -0.645  0.00  0.00    +0.056 C 
ATOM      6  C   LIG    1       -4.104  -0.331  -0.078  0.00  0.00    -0.023 C 
ATOM      7  C   LIG    1       -4.138   0.874   0.525  0.00  0.00    -0.003 C 
ATOM      8  C   LIG    1       -2.963   1.780   0.732  0.00  0.00    +0.135 C 
ENDROOT
BRANCH   6   9
ATOM      9  C   LIG    1       -5.327  -1.160  -0.210  0.00  0.00    +0.067 A 
ATOM     10  N   LIG    1       -6.511  -0.507  -0.071  0.00  0.00    -0.252 NA
ATOM     11  C   LIG    1       -7.650  -1.230  -0.196  0.00  0.00    +0.149 A 
ATOM     12  C   LIG    1       -7.669  -2.586  -0.456  0.00  0.00    +0.141 A 
ATOM     13  F   LIG    1       -8.826  -3.247  -0.569  0.00  0.00    -0.204 F 
ATOM     14  C   LIG    1       -6.464  -3.251  -0.597  0.00  0.00    +0.042 A 
ATOM     15  C   LIG    1       -5.275  -2.531  -0.474  0.00  0.00    +0.031 A 
ENDBRANCH   6   9
BRANCH   2  16
ATOM     16  C   LIG    1        0.772   1.228   0.229  0.00  0.00    +0.102 C 
BRANCH  16  17
ATOM     17  C   LIG    1        1.976   1.930   0.862  0.00  0.00    +0.062 C 
BRANCH  17  18
ATOM     18  C   LIG    1        3.280   1.338   0.389  0.00  0.00    +0.020 A 
ATOM     19  N   LIG    1        3.663   1.615  -0.903  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        3.087   2.207  -1.490  0.00  0.00    +0.169 HD
ATOM     21  C   LIG    1        4.820   1.164  -1.506  0.00  0.00    +0.259 A 
ATOM     22  O   LIG    1        5.072   1.456  -2.668  0.00  0.00    -0.267 OA
ATOM     23  C   LIG    1        5.708   0.322  -0.669  0.00  0.00    +0.082 A 
ATOM     24  C   LIG    1        5.323   0.046   0.653  0.00  0.00    -0.008 A 
ATOM     25  C   LIG    1        6.150  -0.745   1.462  0.00  0.00    +0.009 A 
ATOM     26  C   LIG    1        7.347  -1.257   0.957  0.00  0.00    +0.003 A 
ATOM     27  C   LIG    1        7.723  -0.981  -0.358  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1        6.904  -0.194  -1.166  0.00  0.00    +0.136 A 
ATOM     29  F   LIG    1        7.305   0.045  -2.422  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1        4.065   0.585   1.176  0.00  0.00    +0.030 A 
ENDBRANCH  17  18
ENDBRANCH  16  17
ENDBRANCH   2  16
TORSDOF 4