REMARK  Name = BDB014157
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.318   0.422  -0.057  0.00  0.00    +0.008 A 
ATOM      2  C   LIG    1        2.938   0.311  -0.265  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1        2.469  -0.289  -1.429  0.00  0.00    +0.091 A 
ATOM      4  N   LIG    1        3.310  -0.771  -2.376  0.00  0.00    -0.253 NA
ATOM      5  C   LIG    1        4.634  -0.642  -2.167  0.00  0.00    +0.112 A 
ATOM      6  C   LIG    1        5.183  -0.056  -1.040  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        5.918   0.757   1.899  0.00  0.00    +0.166 A 
ATOM      8  C   LIG    1        4.795   1.052   1.159  0.00  0.00    +0.124 A 
ATOM      9  N   LIG    1        4.105   2.059   1.788  0.00  0.00    -0.129 NA
ATOM     10  N   LIG    1        4.775   2.410   2.877  0.00  0.00    -0.067 NA
ATOM     11  N   LIG    1        5.862   1.632   2.943  0.00  0.00    -0.253 N 
ATOM     12  H   LIG    1        6.498   1.745   3.727  0.00  0.00    +0.191 HD
BRANCH   7  14
ATOM     13  F   LIG    1        7.879   0.111   0.820  0.00  0.00    -0.164 F 
ATOM     14  C   LIG    1        7.000  -0.214   1.798  0.00  0.00    +0.436 C 
ATOM     15  F   LIG    1        7.712  -0.280   2.953  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        6.554  -1.465   1.539  0.00  0.00    -0.164 F 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  17
ATOM     17  C   LIG    1        1.040  -0.434  -1.696  0.00  0.00    +0.107 A 
ATOM     18  N   LIG    1        0.509  -1.333  -2.601  0.00  0.00    -0.234 NA
ATOM     19  C   LIG    1       -0.790  -1.153  -2.567  0.00  0.00    +0.200 A 
ATOM     20  N   LIG    1       -1.133  -0.188  -1.666  0.00  0.00    -0.336 N 
ATOM     21  C   LIG    1        0.020   0.293  -1.109  0.00  0.00    +0.117 A 
BRANCH  20  22
ATOM     22  C   LIG    1       -2.479   0.271  -1.390  0.00  0.00    +0.131 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -3.277  -0.706  -0.519  0.00  0.00    +0.039 C 
ATOM     24  C   LIG    1       -4.697  -0.236  -0.347  0.00  0.00    -0.039 A 
ATOM     25  C   LIG    1       -4.883   0.352   0.910  0.00  0.00    -0.044 A 
ATOM     26  C   LIG    1       -6.106   0.892   1.272  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -7.159   0.818   0.358  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.976   0.220  -0.898  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.616   0.336   1.704  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1       -5.737  -0.311  -1.260  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.816  -0.742   0.957  0.00  0.00    +0.014 C 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  17
TORSDOF 5