REMARK  Name = BDB039635
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.683  -0.112   0.704  0.00  0.00    -0.324 N 
ATOM      2  C   LIG    1       -1.587  -0.981   0.245  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -0.277  -0.171   0.100  0.00  0.00    +0.103 C 
ATOM      4  N   LIG    1        0.192   0.463   1.352  0.00  0.00    -0.295 NA
ATOM      5  C   LIG    1       -0.943   0.794   2.240  0.00  0.00    +0.103 C 
ATOM      6  C   LIG    1       -2.299   1.041   1.537  0.00  0.00    +0.120 C 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -6.685  -0.864  -0.204  0.00  0.00    +0.129 A 
ATOM      8  N   LIG    1       -6.356   0.390   0.187  0.00  0.00    -0.213 NA
ATOM      9  C   LIG    1       -5.047   0.596   0.470  0.00  0.00    +0.235 A 
ATOM     10  F   LIG    1       -4.741   1.858   0.820  0.00  0.00    -0.182 F 
ATOM     11  C   LIG    1       -4.013  -0.366   0.398  0.00  0.00    +0.085 A 
ATOM     12  C   LIG    1       -4.435  -1.640  -0.012  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.773  -1.900  -0.316  0.00  0.00    +0.035 A 
BRANCH   7  17
ATOM     14  C   LIG    1      -10.359  -0.041  -0.540  0.00  0.00    +0.128 C 
ATOM     15  N   LIG    1       -8.930   0.015  -0.402  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.481   0.851  -0.033  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -8.131  -1.103  -0.517  0.00  0.00    +0.262 C 
ATOM     18  O   LIG    1       -8.540  -2.213  -0.836  0.00  0.00    -0.269 OA
ENDBRANCH   7  17
ENDBRANCH   1  11
BRANCH   4  19
ATOM     19  C   LIG    1        1.039   1.638   1.097  0.00  0.00    +0.122 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.350   1.290   0.432  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1        3.397   0.739   1.179  0.00  0.00    +0.152 A 
ATOM     22  F   LIG    1        3.254   0.549   2.501  0.00  0.00    -0.203 F 
ATOM     23  C   LIG    1        4.604   0.393   0.574  0.00  0.00    +0.090 A 
ATOM     24  N   LIG    1        5.652  -0.161   1.334  0.00  0.00    -0.304 N 
ATOM     25  H   LIG    1        5.500  -0.303   2.327  0.00  0.00    +0.171 HD
ATOM     26  C   LIG    1        6.884  -0.541   0.845  0.00  0.00    +0.333 A 
ATOM     27  N   LIG    1        7.037  -0.326  -0.538  0.00  0.00    -0.249 N 
ATOM     28  C   LIG    1        6.061   0.214  -1.358  0.00  0.00    +0.151 A 
ATOM     29  N   LIG    1        6.462   0.307  -2.609  0.00  0.00    -0.235 NA
ATOM     30  C   LIG    1        7.738  -0.185  -2.615  0.00  0.00    +0.134 A 
ATOM     31  C   LIG    1        8.129  -0.586  -1.355  0.00  0.00    +0.045 A 
ATOM     32  C   LIG    1        9.404  -1.173  -0.882  0.00  0.00    +0.065 C 
ATOM     33  O   LIG    1        7.786  -1.023   1.514  0.00  0.00    -0.246 OA
ATOM     34  C   LIG    1        4.781   0.598  -0.795  0.00  0.00    +0.044 A 
ATOM     35  C   LIG    1        3.750   1.149  -1.556  0.00  0.00    +0.014 A 
ATOM     36  C   LIG    1        2.539   1.494  -0.945  0.00  0.00    +0.008 A 
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 4