REMARK  Name = BDB009115
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.935  -1.121   0.035  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1        1.808  -1.944  -1.092  0.00  0.00    +0.131 A 
ATOM      3  F   LIG    1        2.778  -1.973  -2.020  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1        0.696  -2.761  -1.279  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -0.329  -2.764  -0.336  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.251  -1.940   0.795  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1        0.891  -1.139   0.978  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  10
ATOM      8  C   LIG    1        4.581   1.535  -0.530  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1        3.463   0.711  -0.718  0.00  0.00    +0.021 A 
ATOM     10  C   LIG    1        3.110  -0.260   0.234  0.00  0.00    -0.014 A 
ATOM     11  C   LIG    1        3.906  -0.377   1.386  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1        5.015   0.449   1.585  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        5.352   1.407   0.630  0.00  0.00    +0.013 A 
BRANCH   8  17
ATOM     14  N   LIG    1        6.194   2.954  -1.681  0.00  0.00    -0.325 N 
ATOM     15  H   LIG    1        6.952   2.404  -1.302  0.00  0.00    +0.145 HD
ATOM     16  H   LIG    1        6.402   3.532  -2.486  0.00  0.00    +0.145 HD
ATOM     17  C   LIG    1        4.892   2.549  -1.570  0.00  0.00    +0.242 C 
ATOM     18  O   LIG    1        4.031   2.986  -2.323  0.00  0.00    -0.270 OA
ENDBRANCH   8  17
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1       -1.358  -1.932   1.825  0.00  0.00    +0.092 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.744  -1.701   1.230  0.00  0.00    +0.069 A 
ATOM     21  C   LIG    1       -3.126  -0.338   0.740  0.00  0.00    -0.016 A 
ATOM     22  C   LIG    1       -2.180   0.824   0.863  0.00  0.00    +0.037 C 
ATOM     23  C   LIG    1       -2.856   2.181   0.638  0.00  0.00    +0.005 C 
ATOM     24  C   LIG    1       -3.789   2.134  -0.566  0.00  0.00    +0.005 C 
ATOM     25  C   LIG    1       -4.875   1.074  -0.376  0.00  0.00    +0.041 C 
ATOM     26  C   LIG    1       -4.348  -0.214   0.195  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -5.258  -1.386   0.129  0.00  0.00    +0.268 A 
ATOM     28  O   LIG    1       -6.386  -1.304  -0.345  0.00  0.00    -0.266 OA
ATOM     29  N   LIG    1       -4.762  -2.557   0.633  0.00  0.00    -0.243 N 
ATOM     30  H   LIG    1       -5.368  -3.370   0.597  0.00  0.00    +0.192 HD
ATOM     31  N   LIG    1       -3.528  -2.737   1.174  0.00  0.00    -0.175 NA
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 4