REMARK  Name = BDB019174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.119  -0.969  -1.139  0.00  0.00    +0.252 C 
ATOM      2  C   LIG    1        0.449  -1.562   0.103  0.00  0.00    +0.195 C 
ATOM      3  C   LIG    1       -0.960  -1.815  -0.397  0.00  0.00    +0.179 C 
ATOM      4  C   LIG    1       -1.204  -0.674  -1.379  0.00  0.00    +0.185 C 
ATOM      5  O   LIG    1        0.099  -0.293  -1.903  0.00  0.00    -0.345 OA
ENDROOT
BRANCH   4   6
ATOM      6  C   LIG    1       -1.888   0.585  -0.777  0.00  0.00    +0.180 C 
ATOM      7  C   LIG    1       -3.391   0.453  -0.535  0.00  0.00    -0.010 A 
ATOM      8  C   LIG    1       -4.247  -0.072  -1.523  0.00  0.00    +0.009 A 
ATOM      9  C   LIG    1       -5.627  -0.146  -1.311  0.00  0.00    +0.041 A 
ATOM     10  C   LIG    1       -6.167   0.322  -0.122  0.00  0.00    +0.159 A 
ATOM     11  C   LIG    1       -5.343   0.865   0.855  0.00  0.00    +0.162 A 
ATOM     12  F   LIG    1       -5.880   1.331   1.992  0.00  0.00    -0.202 F 
ATOM     13  F   LIG    1       -7.491   0.257   0.071  0.00  0.00    -0.202 F 
ATOM     14  C   LIG    1       -3.960   0.930   0.662  0.00  0.00    -0.001 A 
ATOM     15  C   LIG    1       -3.076   1.556   1.700  0.00  0.00    +0.066 C 
ATOM     16  C   LIG    1       -1.708   0.902   1.629  0.00  0.00    +0.165 C 
ATOM     17  O   LIG    1       -1.123   1.081   0.342  0.00  0.00    -0.369 OA
ENDBRANCH   4   6
BRANCH   1  23
ATOM     18  C   LIG    1        6.367   1.647   0.854  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.377   0.546   0.635  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        4.146   0.716  -0.017  0.00  0.00    +0.040 A 
ATOM     21  C   LIG    1        3.449   1.794  -0.624  0.00  0.00    +0.031 A 
ATOM     22  C   LIG    1        2.251   1.304  -1.098  0.00  0.00    +0.091 A 
ATOM     23  N   LIG    1        2.193  -0.038  -0.807  0.00  0.00    -0.303 N 
ATOM     24  C   LIG    1        3.339  -0.408  -0.140  0.00  0.00    +0.146 A 
ATOM     25  N   LIG    1        3.609  -1.646   0.318  0.00  0.00    -0.218 NA
ATOM     26  C   LIG    1        4.815  -1.696   0.915  0.00  0.00    +0.223 A 
ATOM     27  N   LIG    1        5.695  -0.693   1.099  0.00  0.00    -0.240 NA
ENDBRANCH   1  23
BRANCH   2  28
ATOM     28  O   LIG    1        1.030  -2.791   0.556  0.00  0.00    -0.385 OA
ATOM     29  H   LIG    1        1.991  -2.612   0.663  0.00  0.00    +0.210 HD
ENDBRANCH   2  28
BRANCH   3  30
ATOM     30  O   LIG    1       -0.977  -3.068  -1.106  0.00  0.00    -0.386 OA
ATOM     31  H   LIG    1       -0.418  -3.669  -0.568  0.00  0.00    +0.210 HD
ENDBRANCH   3  30
TORSDOF 4