REMARK  Name = BDB029894
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.831  -0.538  -0.189  0.00  0.00    -0.014 A 
ATOM      2  C   LIG    1       -1.661   0.210  -0.382  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1       -0.420  -0.425  -0.549  0.00  0.00    +0.074 A 
ATOM      4  C   LIG    1       -0.362  -1.819  -0.518  0.00  0.00    +0.138 A 
ATOM      5  F   LIG    1        0.812  -2.455  -0.662  0.00  0.00    -0.204 F 
ATOM      6  C   LIG    1       -1.514  -2.588  -0.328  0.00  0.00    -0.014 A 
ATOM      7  C   LIG    1       -1.417  -4.083  -0.269  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -2.745  -1.938  -0.158  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  12
ATOM      9  N   LIG    1       -6.261   0.580  -0.053  0.00  0.00    -0.269 N 
ATOM     10  N   LIG    1       -5.719   1.681   0.502  0.00  0.00    -0.179 NA
ATOM     11  C   LIG    1       -4.413   1.403   0.541  0.00  0.00    +0.142 A 
ATOM     12  C   LIG    1       -4.105   0.138  -0.012  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1       -5.330  -0.356  -0.411  0.00  0.00    +0.117 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -7.689   0.540  -0.306  0.00  0.00    +0.171 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -8.386  -0.701   0.249  0.00  0.00    +0.182 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -8.869   0.103   2.447  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1       -8.239  -0.896   1.656  0.00  0.00    -0.381 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   9  14
ENDBRANCH   1  12
BRANCH   3  18
ATOM     18  C   LIG    1        0.784   0.425  -0.749  0.00  0.00    +0.262 C 
ATOM     19  N   LIG    1        1.992  -0.209  -0.974  0.00  0.00    -0.228 N 
ATOM     20  H   LIG    1        2.120  -1.193  -0.723  0.00  0.00    +0.171 HD
ATOM     21  O   LIG    1        0.700   1.652  -0.705  0.00  0.00    -0.269 OA
BRANCH  19  22
ATOM     22  N   LIG    1        3.242   0.666  -0.814  0.00  0.00    -0.112 NA
ATOM     23  H   LIG    1        2.959   1.654  -0.696  0.00  0.00    +0.171 HD
BRANCH  22  24
ATOM     24  S   LIG    1        4.230   0.204   0.502  0.00  0.00    +0.047 S 
ATOM     25  O   LIG    1        3.929   1.109   1.589  0.00  0.00    -0.157 OA
ATOM     26  O   LIG    1        4.080  -1.230   0.645  0.00  0.00    -0.157 OA
BRANCH  24  27
ATOM     27  C   LIG    1        5.873   0.563  -0.146  0.00  0.00    +0.149 C 
ATOM     28  C   LIG    1        6.061   2.046  -0.458  0.00  0.00    +0.028 C 
ATOM     29  C   LIG    1        7.419   2.321  -1.110  0.00  0.00    +0.002 C 
ATOM     30  C   LIG    1        8.511   1.336  -0.689  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1        8.278   0.804   0.718  0.00  0.00    +0.002 C 
ATOM     32  C   LIG    1        6.947   0.059   0.834  0.00  0.00    +0.028 C 
ENDBRANCH  24  27
ENDBRANCH  22  24
ENDBRANCH  19  22
ENDBRANCH   3  18
TORSDOF 8