REMARK  Name = BDB014147
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.543   0.620   0.321  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        1.853   1.933   0.161  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.149   2.240  -0.050  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        4.163   1.301  -0.121  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        3.832  -0.045   0.032  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        2.498  -0.388   0.268  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        4.832  -1.090  -0.025  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        5.880  -1.214  -0.909  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        6.484  -2.378  -0.539  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        7.293  -2.844  -0.939  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        5.860  -2.948   0.499  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        4.833  -2.172   0.817  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        6.371  -0.437  -2.040  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        7.294  -1.133  -2.753  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        5.388  -0.091  -2.902  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        6.976   0.707  -1.639  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -2.015   0.456   0.864  0.00  0.00    -0.329 N 
ATOM     18  C   LIG    1       -0.888   1.204   0.652  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1        0.142   0.293   0.550  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.343  -0.991   0.697  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -1.638  -0.858   0.880  0.00  0.00    +0.200 A 
BRANCH  17  23
ATOM     22  C   LIG    1       -3.760   0.875   2.549  0.00  0.00    +0.036 C 
ATOM     23  C   LIG    1       -3.364   0.984   1.073  0.00  0.00    +0.115 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.343   0.381   0.074  0.00  0.00    -0.025 A 
ATOM     25  C   LIG    1       -5.301  -0.582   0.429  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -6.170  -1.112  -0.529  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -6.094  -0.692  -1.854  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.147   0.257  -2.227  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.278   0.788  -1.272  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  19
TORSDOF 5