REMARK  Name = BDB007032
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.591   1.524  -0.114  0.00  0.00    +0.040 A 
ATOM      2  C   LIG    1        2.311   1.120  -0.523  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        2.083  -0.228  -0.725  0.00  0.00    +0.059 A 
ATOM      4  N   LIG    1        0.914  -0.897  -1.122  0.00  0.00    -0.268 N 
ATOM      5  C   LIG    1        1.179  -2.349  -1.058  0.00  0.00    +0.126 C 
ATOM      6  C   LIG    1        2.700  -2.541  -0.836  0.00  0.00    +0.025 C 
ATOM      7  C   LIG    1        3.390  -3.033  -2.112  0.00  0.00    +0.019 C 
ATOM      8  C   LIG    1        2.981  -3.488   0.332  0.00  0.00    +0.019 C 
ATOM      9  C   LIG    1       -0.300  -0.297  -1.409  0.00  0.00    +0.234 C 
ATOM     10  O   LIG    1       -0.482   0.924  -1.414  0.00  0.00    -0.274 OA
ATOM     11  C   LIG    1        3.126  -1.123  -0.522  0.00  0.00    +0.070 A 
ATOM     12  N   LIG    1        4.372  -0.782  -0.138  0.00  0.00    -0.257 NA
ATOM     13  C   LIG    1        4.570   0.542   0.066  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   1  14
ATOM     14  C   LIG    1        3.918   2.978   0.114  0.00  0.00    +0.275 C 
ATOM     15  F   LIG    1        2.879   3.636   0.699  0.00  0.00    -0.200 F 
ATOM     16  F   LIG    1        4.973   3.133   0.966  0.00  0.00    -0.200 F 
BRANCH  14  17
ATOM     17  C   LIG    1        4.268   3.669  -1.210  0.00  0.00    +0.080 C 
BRANCH  17  19
ATOM     18  C   LIG    1        3.656   6.085  -0.618  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1        4.743   5.119  -1.060  0.00  0.00    +0.003 C 
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH   1  14
BRANCH   9  20
ATOM     20  C   LIG    1       -1.473  -1.228  -1.751  0.00  0.00    +0.181 C 
BRANCH  20  21
ATOM     21  N   LIG    1       -1.909  -2.039  -0.598  0.00  0.00    -0.287 NA
ATOM     22  C   LIG    1       -2.247  -1.248   0.628  0.00  0.00    +0.085 C 
ATOM     23  C   LIG    1       -2.670  -2.216   1.775  0.00  0.00    +0.101 C 
ATOM     24  N   LIG    1       -3.764  -3.140   1.420  0.00  0.00    -0.311 NA
ATOM     25  H   LIG    1       -3.902  -3.799   2.185  0.00  0.00    +0.122 HD
ATOM     26  C   LIG    1       -3.474  -3.866   0.171  0.00  0.00    +0.065 C 
ATOM     27  C   LIG    1       -2.449  -4.984   0.397  0.00  0.00    +0.025 C 
ATOM     28  C   LIG    1       -3.037  -2.913  -0.974  0.00  0.00    +0.103 C 
BRANCH  22  29
ATOM     29  C   LIG    1       -3.316  -0.119   0.442  0.00  0.00    +0.104 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -3.413   0.801   1.596  0.00  0.00    -0.296 NA
ATOM     31  C   LIG    1       -2.281   1.757   1.662  0.00  0.00    +0.112 C 
ATOM     32  C   LIG    1       -2.618   3.152   1.110  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1       -3.709   3.782   1.797  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1       -4.637   2.842   2.357  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1       -4.700   1.532   1.560  0.00  0.00    +0.112 C 
ENDBRANCH  29  30
ENDBRANCH  22  29
ENDBRANCH  20  21
ENDBRANCH   9  20
TORSDOF 7