REMARK  Name = BDB030241
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.006  -1.750  -0.474  0.00  0.00    +0.266 C 
ATOM      2  N   LIG    1       -0.103  -1.629  -1.300  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.943  -2.792  -1.542  0.00  0.00    +0.112 C 
ATOM      4  C   LIG    1       -2.032  -2.291  -2.437  0.00  0.00    +0.021 C 
ATOM      5  C   LIG    1       -3.009  -1.215  -2.011  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.747  -0.867  -2.774  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.446  -0.490  -2.137  0.00  0.00    +0.112 C 
ATOM      8  O   LIG    1        1.242  -2.807   0.113  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.228  -0.953  -0.582  0.00  0.00    +0.065 C 
ATOM     10  C   LIG    1       -2.893   0.328   0.075  0.00  0.00    +0.110 C 
ATOM     11  C   LIG    1       -3.736   0.145   1.323  0.00  0.00    +0.200 C 
ATOM     12  C   LIG    1       -3.009   0.634   2.575  0.00  0.00    +0.065 C 
ATOM     13  O   LIG    1       -3.906  -1.282   1.454  0.00  0.00    -0.381 OA
ATOM     14  N   LIG    1       -3.764  -1.857   0.170  0.00  0.00    -0.093 NA
BRANCH  11  15
ATOM     15  C   LIG    1       -5.107   0.814   1.209  0.00  0.00    +0.387 C 
ATOM     16  F   LIG    1       -4.970   2.166   1.260  0.00  0.00    -0.205 F 
ATOM     17  F   LIG    1       -5.680   0.547   0.005  0.00  0.00    -0.205 F 
ENDBRANCH  11  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     18  N   LIG    1        3.576   0.666   0.362  0.00  0.00    -0.334 N 
ATOM     19  C   LIG    1        3.033  -0.580   0.492  0.00  0.00    +0.120 A 
ATOM     20  C   LIG    1        1.903  -0.592  -0.309  0.00  0.00    +0.143 A 
ATOM     21  N   LIG    1        1.769   0.648  -0.917  0.00  0.00    -0.231 NA
ATOM     22  C   LIG    1        2.782   1.371  -0.496  0.00  0.00    +0.200 A 
BRANCH  18  24
ATOM     23  C   LIG    1        5.876   1.500   0.015  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        4.784   1.141   1.023  0.00  0.00    +0.082 C 
ATOM     25  C   LIG    1        4.490   2.308   1.965  0.00  0.00    +0.030 C 
ENDBRANCH  18  24
ENDBRANCH   1  20
TORSDOF 4