REMARK  Name = BDB019680
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.103   0.511  -0.471  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1       -0.975   1.512  -0.030  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -2.361   1.385  -0.204  0.00  0.00    -0.015 A 
ATOM      4  C   LIG    1       -2.853   0.235  -0.847  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.992  -0.776  -1.305  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -0.609  -0.620  -1.123  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.275   2.439   0.266  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1       -4.176   2.258   1.337  0.00  0.00    +0.051 A 
ATOM      9 CL   LIG    1       -4.266   0.767   2.215  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -5.027   3.289   1.743  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -4.982   4.511   1.086  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -5.797   5.499   1.475  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -4.103   4.725   0.033  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -3.253   3.695  -0.374  0.00  0.00    +0.013 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        2.070  -0.461  -0.006  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        1.529  -1.284   0.228  0.00  0.00    +0.150 HD
ATOM     17  C   LIG    1        1.357   0.694  -0.254  0.00  0.00    +0.245 C 
ATOM     18  O   LIG    1        1.826   1.824  -0.279  0.00  0.00    -0.270 OA
BRANCH  15  20
ATOM     19  C   LIG    1        3.883  -2.007   0.477  0.00  0.00    +0.031 C 
ATOM     20  C   LIG    1        3.500  -0.521   0.316  0.00  0.00    +0.032 C 
ATOM     21  C   LIG    1        4.399   0.135  -0.745  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1        5.702   0.462  -0.018  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1        5.362   0.534   1.471  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1        3.864   0.264   1.586  0.00  0.00    +0.025 C 
ENDBRANCH  15  20
ENDBRANCH   1  17
BRANCH   5  25
ATOM     25  C   LIG    1       -2.551  -2.000  -1.989  0.00  0.00    +0.157 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -2.216  -3.216  -1.268  0.00  0.00    -0.332 N 
ATOM     27  C   LIG    1       -1.348  -4.182  -1.692  0.00  0.00    +0.199 A 
ATOM     28  N   LIG    1       -1.248  -5.154  -0.814  0.00  0.00    -0.244 NA
ATOM     29  C   LIG    1       -2.101  -4.812   0.204  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1       -2.720  -3.612  -0.060  0.00  0.00    +0.107 A 
ENDBRANCH  25  26
ENDBRANCH   5  25
TORSDOF 5