REMARK  Name = BDB019571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.439  -0.209  -1.698  0.00  0.00    +0.126 A 
ATOM      2  N   LIG    1       -1.039  -1.002  -0.767  0.00  0.00    -0.242 NA
ATOM      3  C   LIG    1       -2.331  -0.733  -0.465  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -3.047   0.282  -1.102  0.00  0.00    +0.033 A 
ATOM      5  C   LIG    1       -2.417   1.085  -2.063  0.00  0.00    -0.024 A 
ATOM      6  C   LIG    1       -1.077   0.832  -2.359  0.00  0.00    +0.038 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -2.934  -1.620   0.543  0.00  0.00    +0.019 A 
ATOM      8  C   LIG    1       -3.545  -1.160   1.729  0.00  0.00    +0.053 A 
ATOM      9 CL   LIG    1       -3.611   0.520   2.144  0.00  0.00    -0.083 Cl
ATOM     10  C   LIG    1       -4.105  -2.056   2.646  0.00  0.00    +0.059 A 
ATOM     11  C   LIG    1       -4.054  -3.419   2.392  0.00  0.00    +0.125 A 
ATOM     12  F   LIG    1       -4.590  -4.274   3.271  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1       -3.450  -3.909   1.244  0.00  0.00    +0.039 A 
ATOM     14  C   LIG    1       -2.892  -3.015   0.328  0.00  0.00    +0.014 A 
ENDBRANCH   3   7
BRANCH   1  17
ATOM     15  N   LIG    1        1.525  -1.539  -1.247  0.00  0.00    -0.306 N 
ATOM     16  H   LIG    1        0.934  -1.889  -0.499  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1        0.998  -0.511  -1.996  0.00  0.00    +0.263 C 
ATOM     18  O   LIG    1        1.621   0.129  -2.835  0.00  0.00    -0.269 OA
BRANCH  15  19
ATOM     19  C   LIG    1        2.934  -1.841  -1.225  0.00  0.00    +0.140 C 
BRANCH  19  23
ATOM     20  C   LIG    1        4.966   2.184   1.018  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1        4.586   0.733   1.055  0.00  0.00    -0.050 A 
ATOM     22  C   LIG    1        3.993   0.129  -0.060  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        3.597  -1.216  -0.025  0.00  0.00    -0.030 A 
ATOM     24  C   LIG    1        3.782  -1.950   1.155  0.00  0.00    +0.008 A 
ATOM     25  C   LIG    1        4.375  -1.362   2.280  0.00  0.00    -0.050 A 
ATOM     26  C   LIG    1        4.534  -2.145   3.550  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1        4.758  -0.016   2.226  0.00  0.00    +0.006 A 
ENDBRANCH  19  23
ENDBRANCH  15  19
ENDBRANCH   1  17
BRANCH   5  28
ATOM     28  C   LIG    1       -3.157   2.213  -2.733  0.00  0.00    +0.158 C 
BRANCH  28  29
ATOM     29  N   LIG    1       -3.132   3.416  -1.923  0.00  0.00    -0.332 N 
ATOM     30  C   LIG    1       -2.184   4.397  -1.979  0.00  0.00    +0.199 A 
ATOM     31  N   LIG    1       -2.461   5.378  -1.150  0.00  0.00    -0.244 NA
ATOM     32  C   LIG    1       -3.630   5.014  -0.535  0.00  0.00    +0.130 A 
ATOM     33  C   LIG    1       -4.073   3.800  -1.007  0.00  0.00    +0.107 A 
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 6