REMARK  Name = BDB033111
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.151  -1.437   0.592  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.800  -1.136  -0.568  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.639  -1.515  -1.719  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.772  -0.241  -0.123  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.366   0.340   1.136  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.518  -0.741   1.776  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.449  -1.671   2.173  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.547  -1.145   1.067  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.466  -0.913   0.244  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -1.643  -0.842  -0.753  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.895  -0.773   0.553  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1       -5.038  -1.335   1.141  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -6.311  -1.013   0.674  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1       -6.461  -0.108  -0.376  0.00  0.00    +0.016 A 
ATOM     15  C   LIG    1       -5.337   0.484  -0.971  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.055   0.153  -0.491  0.00  0.00    +0.029 A 
BRANCH  15  17
ATOM     17  C   LIG    1       -5.499   1.498  -2.079  0.00  0.00    +0.417 C 
ATOM     18  F   LIG    1       -6.621   1.306  -2.825  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -4.459   1.488  -2.958  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -5.574   2.771  -1.604  0.00  0.00    -0.166 F 
ENDBRANCH  15  17
BRANCH  12  21
ATOM     21  O   LIG    1       -4.989  -2.216   2.189  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -4.058  -2.261   2.505  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        2.602   0.475  -1.071  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.902   0.964  -0.470  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        4.884   0.075   0.031  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        6.061   0.609   0.593  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.273   1.986   0.647  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.313   2.855   0.144  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.137   2.350  -0.409  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1        4.700  -1.430   0.015  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        4.232  -1.907  -1.170  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.864  -2.109   0.239  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        3.839  -1.867   0.976  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7