REMARK  Name = BDB021743
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.958  -0.215  -0.083  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.029  -0.383  -0.978  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -3.238  -0.665  -0.376  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.311  -0.410   0.598  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.872  -0.278  -2.192  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.440  -1.053  -1.003  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1       -5.583  -1.144  -0.191  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1       -6.822  -1.556  -0.717  0.00  0.00    +0.059 A 
ATOM      9  C   LIG    1       -6.905  -1.870  -2.079  0.00  0.00    +0.050 A 
ATOM     10  C   LIG    1       -5.771  -1.784  -2.875  0.00  0.00    +0.126 A 
ATOM     11  F   LIG    1       -5.861  -2.098  -4.175  0.00  0.00    -0.205 F 
ATOM     12  C   LIG    1       -4.544  -1.384  -2.352  0.00  0.00    +0.061 A 
BRANCH   8  13
ATOM     13  C   LIG    1       -8.032  -1.643   0.177  0.00  0.00    +0.418 C 
ATOM     14  F   LIG    1       -8.491  -0.416   0.549  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -9.088  -2.283  -0.397  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -7.777  -2.314   1.336  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        3.276  -0.087  -0.819  0.00  0.00    -0.299 NA
ATOM     18  C   LIG    1        2.621   1.189  -0.501  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.276   0.954   0.192  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.365   0.080  -0.679  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        1.090  -1.209  -1.090  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        2.443  -0.895  -1.724  0.00  0.00    +0.086 C 
BRANCH  17  24
ATOM     23  C   LIG    1        4.859   1.088  -2.424  0.00  0.00    +0.024 C 
ATOM     24  C   LIG    1        4.666   0.040  -1.324  0.00  0.00    +0.057 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.638   0.223  -0.141  0.00  0.00    +0.006 C 
ATOM     26  C   LIG    1        7.168   0.161  -0.431  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1        7.360   1.107   0.771  0.00  0.00    +0.001 C 
ATOM     28  C   LIG    1        5.920   1.604   0.522  0.00  0.00    +0.005 C 
ENDBRANCH  24  25
ENDBRANCH  17  24
ENDBRANCH   1  20
BRANCH   1  29
ATOM     29  C   LIG    1       -0.995  -0.730   1.292  0.00  0.00    +0.144 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -1.577   0.223   2.316  0.00  0.00    -0.030 A 
ATOM     31  C   LIG    1       -1.770  -0.244   3.626  0.00  0.00    +0.005 A 
ATOM     32  C   LIG    1       -2.323   0.583   4.603  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.690   1.889   4.285  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -2.495   2.371   2.993  0.00  0.00    +0.000 A 
ATOM     35  C   LIG    1       -1.936   1.546   2.016  0.00  0.00    +0.005 A 
ENDBRANCH  29  30
ENDBRANCH   1  29
TORSDOF 7