REMARK  Name = BDB033112
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.075  -1.276   0.624  0.00  0.00    +0.161 C 
ATOM      2  C   LIG    1        0.924  -1.158  -0.528  0.00  0.00    +0.236 C 
ATOM      3  O   LIG    1        0.762  -1.631  -1.644  0.00  0.00    -0.274 OA
ATOM      4  N   LIG    1        1.951  -0.300  -0.138  0.00  0.00    -0.296 N 
ATOM      5  C   LIG    1        1.559   0.428   1.046  0.00  0.00    +0.110 C 
ATOM      6  C   LIG    1        0.614  -0.519   1.758  0.00  0.00    +0.051 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1       -2.418  -1.166   2.154  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -2.453  -0.762   0.994  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -1.339  -0.698   0.185  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -1.489  -0.722  -0.818  0.00  0.00    +0.150 HD
BRANCH   8  11
ATOM     11  C   LIG    1       -3.760  -0.356   0.404  0.00  0.00    +0.078 A 
ATOM     12  C   LIG    1       -4.953  -0.746   1.031  0.00  0.00    +0.129 A 
ATOM     13  C   LIG    1       -6.192  -0.394   0.496  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1       -6.268   0.381  -0.670  0.00  0.00    +0.058 A 
ATOM     15  C   LIG    1       -5.076   0.784  -1.292  0.00  0.00    +0.013 A 
ATOM     16  C   LIG    1       -3.833   0.427  -0.757  0.00  0.00    +0.017 A 
BRANCH  14  17
ATOM     17  C   LIG    1       -7.609   0.745  -1.260  0.00  0.00    +0.418 C 
ATOM     18  F   LIG    1       -7.581   1.918  -1.954  0.00  0.00    -0.166 F 
ATOM     19  F   LIG    1       -8.061  -0.195  -2.134  0.00  0.00    -0.166 F 
ATOM     20  F   LIG    1       -8.587   0.892  -0.324  0.00  0.00    -0.166 F 
ENDBRANCH  14  17
BRANCH  12  21
ATOM     21  O   LIG    1       -4.990  -1.484   2.184  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1       -4.069  -1.567   2.522  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   4  23
ATOM     23  C   LIG    1        2.859   0.257  -1.121  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.178   0.698  -0.526  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1        5.073  -0.213   0.086  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1        6.275   0.278   0.634  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1        6.596   1.633   0.568  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1        5.720   2.523  -0.042  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.522   2.061  -0.584  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1        4.770  -1.694   0.201  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1        4.296  -2.243  -0.950  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        5.870  -2.438   0.524  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1        3.853  -1.972   1.169  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 7