REMARK  Name = BDB063397
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.713   2.086   0.632  0.00  0.00    +0.025 C 
ATOM      2  C   LIG    1       -0.031   1.109   1.557  0.00  0.00    +0.110 C 
ATOM      3  N   LIG    1       -0.800   0.703   0.406  0.00  0.00    -0.325 N 
ATOM      4  C   LIG    1       -0.505   1.935  -0.290  0.00  0.00    +0.110 C 
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.026   0.013   0.394  0.00  0.00    +0.101 C 
ATOM      6  C   LIG    1       -2.954   0.302  -0.777  0.00  0.00    +0.227 C 
ATOM      7  O   LIG    1       -2.601   0.996  -1.728  0.00  0.00    -0.284 OA
ATOM      8  C   LIG    1       -4.320  -0.272  -0.774  0.00  0.00    +0.123 A 
ATOM      9  C   LIG    1       -4.694  -1.192   0.176  0.00  0.00    +0.052 A 
ATOM     10  C   LIG    1       -5.988  -1.721   0.123  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -6.860  -1.302  -0.878  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -6.403  -0.370  -1.791  0.00  0.00    +0.111 A 
ATOM     13  C   LIG    1       -3.754  -1.612   1.210  0.00  0.00    +0.208 C 
ATOM     14  O   LIG    1       -4.090  -2.495   1.991  0.00  0.00    -0.286 OA
ATOM     15  N   LIG    1       -5.158   0.152  -1.761  0.00  0.00    -0.251 NA
ATOM     16  C   LIG    1       -2.435  -0.924   1.277  0.00  0.00    +0.113 C 
ATOM     17 CL   LIG    1       -1.448  -1.463   2.605  0.00  0.00    -0.078 Cl
ENDBRANCH   3   5
BRANCH   1  18
ATOM     18  C   LIG    1        2.096   1.701   0.098  0.00  0.00    +0.025 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.159   0.308  -0.527  0.00  0.00    +0.105 C 
BRANCH  19  21
ATOM     20  C   LIG    1        4.511  -0.426  -0.200  0.00  0.00    +0.282 C 
ATOM     21  N   LIG    1        3.487   0.016  -1.026  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        3.709   0.231  -1.992  0.00  0.00    +0.149 HD
ATOM     23  O   LIG    1        4.351  -0.627   1.003  0.00  0.00    -0.269 OA
BRANCH  20  25
ATOM     24  C   LIG    1        6.954  -1.120  -0.023  0.00  0.00    +0.095 C 
ATOM     25  C   LIG    1        5.851  -0.630  -0.935  0.00  0.00    +0.320 C 
ATOM     26  F   LIG    1        6.259   0.535  -1.524  0.00  0.00    -0.196 F 
ATOM     27  F   LIG    1        5.711  -1.518  -1.966  0.00  0.00    -0.196 F 
ENDBRANCH  20  25
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 5