REMARK  Name = BDB014159
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.723   1.019  -0.741  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.209   2.050  -1.474  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.536   2.274  -1.442  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.428   1.520  -0.700  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.925   0.470   0.067  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.550   0.213   0.035  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.778  -0.379   0.876  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        5.903  -0.036   1.591  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        6.285  -1.205   2.181  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        7.067  -1.391   2.802  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        5.452  -2.207   1.873  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        4.515  -1.712   1.077  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        6.647   1.195   1.825  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        7.372   1.558   0.740  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        5.844   2.236   2.141  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        7.529   1.050   2.849  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -1.708  -0.119  -0.734  0.00  0.00    -0.329 N 
ATOM     18  C   LIG    1       -0.380  -0.382  -0.519  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.280   0.797  -0.809  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.632   1.759  -1.193  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -1.810   1.182  -1.136  0.00  0.00    +0.200 A 
BRANCH  17  26
ATOM     22  F   LIG    1       -5.102   1.091   3.236  0.00  0.00    -0.205 F 
ATOM     23  C   LIG    1       -5.107   0.411   2.082  0.00  0.00    +0.124 A 
ATOM     24  C   LIG    1       -3.896   0.115   1.461  0.00  0.00    +0.044 A 
ATOM     25  C   LIG    1       -3.932  -0.586   0.264  0.00  0.00    -0.019 A 
ATOM     26  C   LIG    1       -2.789  -1.075  -0.586  0.00  0.00    +0.119 C 
ATOM     27  C   LIG    1       -3.507  -1.409  -1.909  0.00  0.00    +0.034 C 
ATOM     28  C   LIG    1       -4.943  -1.800  -1.534  0.00  0.00    +0.038 C 
ATOM     29  C   LIG    1       -5.155  -1.002  -0.284  0.00  0.00    -0.042 A 
ATOM     30  C   LIG    1       -6.360  -0.717   0.341  0.00  0.00    +0.007 A 
ATOM     31  C   LIG    1       -6.329   0.006   1.535  0.00  0.00    +0.038 A 
ENDBRANCH  17  26
ENDBRANCH   1  19
TORSDOF 4