REMARK  Name = BDB031101
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.496  -0.498  -1.040  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -0.352  -0.412  -0.327  0.00  0.00    -0.231 NA
ATOM      3  C   LIG    1        0.498  -1.456  -0.359  0.00  0.00    +0.120 A 
ATOM      4  C   LIG    1        0.219  -2.609  -1.089  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.957  -2.679  -1.830  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.832  -1.601  -1.813  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -5.813  -0.025   0.110  0.00  0.00    +0.034 A 
ATOM      8  C   LIG    1       -4.527  -0.302  -0.188  0.00  0.00    +0.102 A 
ATOM      9  N   LIG    1       -3.666   0.720  -0.599  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -4.069   2.052  -0.691  0.00  0.00    +0.138 A 
ATOM     11  N   LIG    1       -3.075   2.842  -1.032  0.00  0.00    -0.235 NA
ATOM     12  C   LIG    1       -1.995   2.011  -1.169  0.00  0.00    +0.141 A 
ATOM     13  C   LIG    1       -5.431   2.346  -0.402  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -2.331   0.685  -0.961  0.00  0.00    +0.091 A 
ATOM     15  C   LIG    1       -6.266   1.361  -0.023  0.00  0.00    +0.014 A 
BRANCH   7  17
ATOM     16  F   LIG    1       -6.282  -2.308   0.542  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1       -6.807  -1.053   0.570  0.00  0.00    +0.373 C 
ATOM     18  F   LIG    1       -7.892  -1.080  -0.250  0.00  0.00    -0.204 F 
ENDBRANCH   7  17
ENDBRANCH   1  14
BRANCH   3  19
ATOM     19  N   LIG    1        1.687  -1.414   0.405  0.00  0.00    -0.326 N 
ATOM     20  H   LIG    1        2.457  -1.729  -0.176  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1        2.021  -0.269   1.211  0.00  0.00    +0.073 C 
ATOM     22  C   LIG    1        2.621   0.900   0.407  0.00  0.00    +0.030 C 
ATOM     23  C   LIG    1        4.047   0.448   0.832  0.00  0.00    -0.012 C 
ATOM     24  C   LIG    1        4.985   1.537   1.357  0.00  0.00    +0.088 C 
ATOM     25  N   LIG    1        6.225   1.429   0.569  0.00  0.00    -0.315 NA
ATOM     26  H   LIG    1        6.118   2.000  -0.271  0.00  0.00    +0.122 HD
ATOM     27  C   LIG    1        6.288   0.021   0.163  0.00  0.00    +0.081 C 
ATOM     28  C   LIG    1        4.855  -0.307  -0.223  0.00  0.00    +0.023 C 
ATOM     29  C   LIG    1        3.373  -0.430   1.930  0.00  0.00    +0.030 C 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 4