REMARK  Name = BDB019177
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.776  -0.792  -1.335  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.699  -1.981  -0.370  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.773  -2.326  -0.444  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.436  -0.953  -0.534  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1       -0.502  -0.113  -1.274  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.722  -0.290   0.844  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -2.789   0.802   0.758  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -2.546   1.982   0.034  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -3.515   2.987  -0.049  0.00  0.00    +0.023 A 
ATOM     10  C   LIG    1       -4.739   2.825   0.595  0.00  0.00    +0.076 A 
ATOM     11  C   LIG    1       -4.992   1.661   1.316  0.00  0.00    +0.145 A 
ATOM     12  F   LIG    1       -6.166   1.501   1.948  0.00  0.00    -0.204 F 
ATOM     13 CL   LIG    1       -5.921   4.072   0.492  0.00  0.00    -0.081 Cl
ATOM     14  C   LIG    1       -4.035   0.643   1.395  0.00  0.00    -0.003 A 
ATOM     15  C   LIG    1       -4.315  -0.588   2.212  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1       -3.390  -1.720   1.792  0.00  0.00    +0.165 C 
ATOM     17  O   LIG    1       -2.035  -1.271   1.849  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.250   1.891  -0.212  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.309   0.774  -0.542  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        3.918   0.923  -0.639  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        2.991   1.989  -0.494  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        1.731   1.482  -0.730  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        1.852   0.141  -1.004  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.183  -0.211  -0.957  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        3.671  -1.448  -1.174  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        5.013  -1.474  -1.066  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        5.842  -0.457  -0.766  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.479  -3.114  -0.761  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        2.398  -2.783  -0.879  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -1.015  -3.063  -1.657  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.292  -3.725  -1.696  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4