REMARK  Name = BDB031112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.063  -0.064   0.144  0.00  0.00    +0.014 A 
ATOM      2  C   LIG    1       -4.687  -1.141  -0.699  0.00  0.00    -0.011 A 
ATOM      3  C   LIG    1       -3.900  -2.053  -1.323  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -2.493  -2.062  -1.157  0.00  0.00    +0.138 A 
ATOM      5  N   LIG    1       -1.950  -1.108  -0.315  0.00  0.00    -0.298 N 
ATOM      6  C   LIG    1       -0.586  -1.343  -0.273  0.00  0.00    +0.091 A 
ATOM      7  C   LIG    1       -0.389  -2.383  -1.162  0.00  0.00    +0.141 A 
ATOM      8  N   LIG    1       -1.571  -2.842  -1.677  0.00  0.00    -0.235 NA
ATOM      9  C   LIG    1       -2.718  -0.120   0.301  0.00  0.00    +0.100 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1        0.383  -0.604   0.512  0.00  0.00    +0.091 A 
ATOM     11  N   LIG    1        1.386  -0.063  -0.214  0.00  0.00    -0.231 NA
ATOM     12  C   LIG    1        2.331   0.632   0.442  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        2.304   0.807   1.821  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1        1.272   0.232   2.557  0.00  0.00    +0.005 A 
ATOM     15  C   LIG    1        0.292  -0.494   1.893  0.00  0.00    +0.030 A 
BRANCH  12  16
ATOM     16  N   LIG    1        3.334   1.181  -0.354  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1        3.056   0.955  -1.310  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        4.700   0.694  -0.068  0.00  0.00    +0.119 C 
ATOM     19  C   LIG    1        5.735   1.512  -0.858  0.00  0.00    +0.189 C 
ATOM     20  F   LIG    1        5.682   2.822  -0.474  0.00  0.00    -0.243 F 
ATOM     21  C   LIG    1        7.164   1.021  -0.626  0.00  0.00    +0.054 C 
ATOM     22  C   LIG    1        7.232  -0.428  -0.155  0.00  0.00    +0.084 C 
ATOM     23  N   LIG    1        6.212  -1.224  -0.820  0.00  0.00    -0.314 NA
ATOM     24  H   LIG    1        6.335  -2.216  -0.611  0.00  0.00    +0.122 HD
ATOM     25  C   LIG    1        4.854  -0.808  -0.440  0.00  0.00    +0.106 C 
ENDBRANCH  16  18
ENDBRANCH  12  16
ENDBRANCH   6  10
BRANCH   1  27
ATOM     26  C   LIG    1       -5.218   2.142  -0.293  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1       -4.891   1.084   0.775  0.00  0.00    +0.184 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.206   1.824   1.973  0.00  0.00    +0.422 C 
ATOM     29  F   LIG    1       -3.145   2.568   1.591  0.00  0.00    -0.167 F 
ATOM     30  F   LIG    1       -3.787   0.966   2.931  0.00  0.00    -0.167 F 
ATOM     31  F   LIG    1       -5.096   2.666   2.561  0.00  0.00    -0.167 F 
ENDBRANCH  27  28
BRANCH  27  32
ATOM     32  O   LIG    1       -6.151   0.546   1.243  0.00  0.00    -0.376 OA
ATOM     33  H   LIG    1       -6.581   1.237   1.784  0.00  0.00    +0.211 HD
ENDBRANCH  27  32
ENDBRANCH   1  27
BRANCH   2  34
ATOM     34  C   LIG    1       -6.198  -1.217  -0.845  0.00  0.00    +0.191 C 
BRANCH  34  35
ATOM     35  O   LIG    1       -6.609  -2.234  -1.759  0.00  0.00    -0.390 OA
ATOM     36  H   LIG    1       -6.567  -3.075  -1.273  0.00  0.00    +0.210 HD
ENDBRANCH  34  35
ENDBRANCH   2  34
TORSDOF 8