REMARK  Name = BDB063133
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.903  -0.391   0.804  0.00  0.00    -0.268 N 
ATOM      2  H   LIG    1       -2.346  -1.293   0.885  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1       -2.780   0.590   0.384  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1       -4.046   0.181   0.182  0.00  0.00    -0.211 NA
ATOM      5  C   LIG    1       -4.969   1.087  -0.239  0.00  0.00    +0.111 A 
ATOM      6  C   LIG    1       -4.626   2.407  -0.448  0.00  0.00    +0.167 A 
ATOM      7  F   LIG    1       -5.502   3.343  -0.834  0.00  0.00    -0.202 F 
ATOM      8  C   LIG    1       -3.316   2.740  -0.217  0.00  0.00    +0.155 A 
ATOM      9  N   LIG    1       -2.383   1.857   0.192  0.00  0.00    -0.220 NA
BRANCH   5  10
ATOM     10  C   LIG    1       -6.332   0.549  -0.439  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -7.196   1.053  -1.432  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -8.493   0.525  -1.615  0.00  0.00    +0.079 A 
ATOM     13  C   LIG    1       -8.916  -0.521  -0.794  0.00  0.00    +0.039 A 
ATOM     14  S   LIG    1      -10.522  -0.966  -1.231  0.00  0.00    -0.075 S 
ATOM     15  C   LIG    1      -10.513   0.239  -2.447  0.00  0.00    +0.157 A 
ATOM     16  C   LIG    1       -8.088  -1.056   0.201  0.00  0.00    +0.018 A 
ATOM     17  N   LIG    1       -9.414   0.950  -2.559  0.00  0.00    -0.247 NA
ATOM     18  C   LIG    1       -6.806  -0.510   0.356  0.00  0.00    +0.011 A 
ENDBRANCH   5  10
ENDBRANCH   1   3
BRANCH   1  22
ATOM     19  C   LIG    1        2.111  -0.722   1.790  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        1.212  -1.772   1.820  0.00  0.00    +0.126 A 
ATOM     21  N   LIG    1       -0.097  -1.650   1.482  0.00  0.00    -0.239 NA
ATOM     22  C   LIG    1       -0.561  -0.428   1.129  0.00  0.00    +0.125 A 
ATOM     23  C   LIG    1        0.282   0.681   1.114  0.00  0.00    +0.044 A 
ATOM     24  C   LIG    1        1.630   0.537   1.453  0.00  0.00    +0.018 A 
BRANCH  19  31
ATOM     25  C   LIG    1        7.929   0.123  -2.557  0.00  0.00    +0.109 C 
ATOM     26  C   LIG    1        7.987   0.398  -1.076  0.00  0.00    +0.213 C 
ATOM     27  N   LIG    1        6.854   0.104  -0.335  0.00  0.00    -0.299 N 
ATOM     28  C   LIG    1        6.903   0.281   1.120  0.00  0.00    +0.126 C 
ATOM     29  C   LIG    1        5.914  -0.628   1.857  0.00  0.00    +0.127 C 
ATOM     30  N   LIG    1        4.538  -0.479   1.372  0.00  0.00    -0.294 N 
ATOM     31  C   LIG    1        3.512  -0.963   2.179  0.00  0.00    +0.248 C 
ATOM     32  O   LIG    1        3.715  -1.590   3.216  0.00  0.00    -0.270 OA
ATOM     33  C   LIG    1        4.375  -0.049  -0.024  0.00  0.00    +0.127 C 
ATOM     34  C   LIG    1        5.593  -0.386  -0.900  0.00  0.00    +0.126 C 
ATOM     35  O   LIG    1        9.005   0.870  -0.570  0.00  0.00    -0.276 OA
ENDBRANCH  19  31
ENDBRANCH   1  22
TORSDOF 4