REMARK  Name = BDB021724
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.330   1.405  -0.681  0.00  0.00    -0.282 N 
ATOM      2  C   LIG    1        2.606   0.824  -0.742  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        2.774  -0.268   0.082  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.230  -0.236   0.929  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1        3.496   1.285  -1.452  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1        3.856  -1.171   0.076  0.00  0.00    +0.035 A 
ATOM      7  C   LIG    1        3.999  -2.016   1.186  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1        5.041  -2.958   1.247  0.00  0.00    +0.092 A 
ATOM      9  C   LIG    1        5.928  -3.045   0.179  0.00  0.00    +0.135 A 
ATOM     10  F   LIG    1        6.928  -3.935   0.210  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1        5.792  -2.224  -0.934  0.00  0.00    +0.041 A 
ATOM     12  C   LIG    1        4.754  -1.291  -0.988  0.00  0.00    +0.026 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.221  -3.867   2.423  0.00  0.00    +0.420 C 
ATOM     14  F   LIG    1        5.128  -5.185   2.096  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1        4.281  -3.668   3.394  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1        6.421  -3.709   3.044  0.00  0.00    -0.166 F 
ENDBRANCH   8  13
ENDBRANCH   3   6
BRANCH   1  17
ATOM     17  C   LIG    1        0.107   0.687  -0.239  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1       -0.875   1.570   0.540  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1       -2.113   0.769   0.947  0.00  0.00    +0.086 C 
ATOM     20  N   LIG    1       -2.759   0.174  -0.231  0.00  0.00    -0.300 NA
ATOM     21  C   LIG    1       -1.852  -0.737  -0.941  0.00  0.00    +0.086 C 
ATOM     22  C   LIG    1       -0.599   0.001  -1.416  0.00  0.00    +0.038 C 
BRANCH  20  23
ATOM     23  C   LIG    1       -4.087  -0.401   0.088  0.00  0.00    +0.054 C 
ATOM     24  C   LIG    1       -4.918  -0.503  -1.200  0.00  0.00    +0.024 C 
BRANCH  23  25
ATOM     25  C   LIG    1       -4.042  -1.745   0.853  0.00  0.00    +0.018 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -5.419  -2.205   1.345  0.00  0.00    -0.002 C 
ATOM     27  C   LIG    1       -5.313  -3.465   2.191  0.00  0.00    +0.004 C 
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  20  23
ENDBRANCH   1  17
BRANCH   1  28
ATOM     28  C   LIG    1        1.157   2.646  -1.453  0.00  0.00    +0.109 C 
BRANCH  28  29
ATOM     29  C   LIG    1        1.593   3.868  -0.640  0.00  0.00    +0.019 C 
BRANCH  29  31
ATOM     30  C   LIG    1        0.077   5.574  -1.778  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1        1.502   5.179  -1.422  0.00  0.00    -0.002 C 
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH   1  28
TORSDOF 9