REMARK  Name = BDB009514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.384  -0.201  -0.815  0.00  0.00    +0.072 A 
ATOM      2  C   LIG    1        0.074  -0.825  -1.970  0.00  0.00    +0.135 A 
ATOM      3  F   LIG    1        1.109  -0.326  -2.662  0.00  0.00    -0.205 F 
ATOM      4  C   LIG    1       -0.533  -1.991  -2.424  0.00  0.00    +0.039 A 
ATOM      5  C   LIG    1       -1.619  -2.528  -1.727  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -2.118  -1.892  -0.578  0.00  0.00    -0.041 A 
ATOM      7  C   LIG    1       -1.482  -0.726  -0.121  0.00  0.00    +0.020 A 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.263   1.282   1.224  0.00  0.00    +0.076 C 
ATOM      9  C   LIG    1        3.388   0.021   1.323  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        2.422  -0.110   0.150  0.00  0.00    +0.110 C 
ATOM     11  N   LIG    1        1.571   1.075   0.017  0.00  0.00    -0.297 N 
ATOM     12  C   LIG    1        0.223   1.053  -0.337  0.00  0.00    +0.249 C 
ATOM     13  O   LIG    1       -0.512   2.035  -0.249  0.00  0.00    -0.270 OA
ATOM     14  C   LIG    1        2.144   2.361   0.403  0.00  0.00    +0.110 C 
ATOM     15  C   LIG    1        3.662   2.354   0.309  0.00  0.00    +0.041 C 
BRANCH   8  18
ATOM     16  O   LIG    1        6.375   0.226   2.842  0.00  0.00    -0.269 OA
ATOM     17  C   LIG    1        6.560   0.423   1.645  0.00  0.00    +0.263 C 
ATOM     18  N   LIG    1        5.617   0.964   0.799  0.00  0.00    -0.307 N 
ATOM     19  H   LIG    1        5.872   0.973  -0.186  0.00  0.00    +0.149 HD
BRANCH  17  20
ATOM     20  C   LIG    1        7.812   0.093   0.958  0.00  0.00    +0.132 A 
ATOM     21  N   LIG    1        7.953   0.279  -0.423  0.00  0.00    -0.243 NA
ATOM     22  C   LIG    1        9.163  -0.085  -0.792  0.00  0.00    +0.156 A 
ATOM     23  S   LIG    1       10.192  -0.664   0.450  0.00  0.00    -0.083 S 
ATOM     24  C   LIG    1        8.932  -0.417   1.586  0.00  0.00    +0.079 A 
ENDBRANCH  17  20
ENDBRANCH   8  18
ENDBRANCH   1  12
BRANCH   6  25
ATOM     25  C   LIG    1       -3.281  -2.506   0.172  0.00  0.00    +0.094 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.247  -1.501   0.784  0.00  0.00    +0.087 A 
ATOM     27  C   LIG    1       -5.150  -0.705  -0.120  0.00  0.00    +0.059 A 
ATOM     28  N   LIG    1       -5.159  -0.881  -1.496  0.00  0.00    -0.342 N 
ATOM     29  H   LIG    1       -4.765  -1.748  -1.844  0.00  0.00    +0.146 HD
ATOM     30  C   LIG    1       -6.211  -0.301  -2.319  0.00  0.00    +0.102 C 
ATOM     31  C   LIG    1       -6.544   1.096  -1.802  0.00  0.00    +0.023 C 
ATOM     32  C   LIG    1       -6.878   1.073  -0.305  0.00  0.00    +0.044 C 
ATOM     33  C   LIG    1       -5.947   0.192   0.482  0.00  0.00    +0.041 A 
ATOM     34  C   LIG    1       -5.939   0.337   1.954  0.00  0.00    +0.270 A 
ATOM     35  O   LIG    1       -6.675   1.132   2.530  0.00  0.00    -0.266 OA
ATOM     36  N   LIG    1       -5.075  -0.478   2.633  0.00  0.00    -0.243 N 
ATOM     37  H   LIG    1       -5.050  -0.386   3.643  0.00  0.00    +0.192 HD
ATOM     38  N   LIG    1       -4.227  -1.386   2.079  0.00  0.00    -0.174 NA
ENDBRANCH  25  26
ENDBRANCH   6  25
TORSDOF 5