REMARK  Name = BDB033104
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -2.382  -1.671  -3.302  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -1.653  -1.269  -2.410  0.00  0.00    +0.218 C 
ATOM      3  N   LIG    1       -2.008  -1.040  -1.096  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -0.884  -0.620  -0.293  0.00  0.00    +0.130 C 
ATOM      5  C   LIG    1        0.142  -0.137  -1.323  0.00  0.00    +0.098 C 
ATOM      6  C   LIG    1       -0.182  -0.987  -2.557  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   5   7
ATOM      7  N   LIG    1        1.536  -0.355  -0.915  0.00  0.00    -0.324 N 
ATOM      8  H   LIG    1        2.173  -0.248  -1.703  0.00  0.00    +0.148 HD
BRANCH   7   9
ATOM      9  C   LIG    1        2.007   0.478   0.127  0.00  0.00    +0.130 A 
ATOM     10  C   LIG    1        3.327   0.318   0.592  0.00  0.00    +0.041 A 
ATOM     11  C   LIG    1        3.718   1.193   1.615  0.00  0.00    +0.076 A 
ATOM     12  C   LIG    1        5.009   1.094   2.117  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1        5.923   0.148   1.639  0.00  0.00    +0.014 A 
ATOM     14  C   LIG    1        5.553  -0.736   0.624  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1        2.899   2.113   2.131  0.00  0.00    -0.235 NA
ATOM     16  C   LIG    1        1.661   2.159   1.631  0.00  0.00    +0.223 A 
ATOM     17  C   LIG    1        4.250  -0.650   0.113  0.00  0.00    +0.025 A 
ATOM     18  N   LIG    1        1.171   1.386   0.655  0.00  0.00    -0.220 NA
BRANCH  14  19
ATOM     19  C   LIG    1        6.511  -1.786   0.118  0.00  0.00    +0.417 C 
ATOM     20  F   LIG    1        6.339  -2.064  -1.204  0.00  0.00    -0.166 F 
ATOM     21  F   LIG    1        6.375  -2.971   0.773  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        7.818  -1.428   0.255  0.00  0.00    -0.166 F 
ENDBRANCH  14  19
ENDBRANCH   7   9
ENDBRANCH   5   7
BRANCH   3  23
ATOM     23  C   LIG    1       -3.310  -1.341  -0.534  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.064  -0.080  -0.166  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -4.318   0.300   1.173  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -5.019   1.497   1.420  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -5.459   2.304   0.371  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.209   1.929  -0.944  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.518   0.749  -1.210  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -3.871  -0.546   2.343  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -4.163  -0.002   3.558  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -2.526  -0.763   2.354  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -4.449  -1.780   2.344  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6