REMARK  Name = BDB012246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.011   0.476  -0.233  0.00  0.00    -0.276 OA
ATOM      2  C   LIG    1       -0.738  -0.495   0.463  0.00  0.00    +0.214 C 
ATOM      3  N   LIG    1        0.540  -0.778   0.903  0.00  0.00    -0.312 N 
ATOM      4  H   LIG    1        0.715  -1.682   1.324  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.681   0.048   0.528  0.00  0.00    +0.073 C 
ATOM      6  C   LIG    1        2.114  -0.272  -0.914  0.00  0.00    +0.026 C 
ATOM      7  C   LIG    1        3.587   0.041  -1.140  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        4.503  -0.806  -0.240  0.00  0.00    +0.174 C 
ATOM      9  C   LIG    1        3.822  -1.190   1.087  0.00  0.00    +0.046 C 
ATOM     10  C   LIG    1        2.826  -0.124   1.540  0.00  0.00    +0.026 C 
BRANCH   8  11
ATOM     11  O   LIG    1        5.671  -0.045   0.097  0.00  0.00    -0.489 OA
BRANCH  11  12
ATOM     12  C   LIG    1        6.734  -0.021  -0.760  0.00  0.00    +0.122 A 
ATOM     13  C   LIG    1        7.834   0.701  -0.289  0.00  0.00    +0.065 A 
ATOM     14  C   LIG    1        8.988   0.810  -1.063  0.00  0.00    +0.044 A 
ATOM     15 CL   LIG    1       10.336   1.700  -0.469  0.00  0.00    -0.083 Cl
ATOM     16  C   LIG    1        9.058   0.204  -2.313  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        7.963  -0.515  -2.790  0.00  0.00    +0.005 A 
ATOM     18  C   LIG    1        6.803  -0.627  -2.015  0.00  0.00    +0.046 A 
ENDBRANCH  11  12
ENDBRANCH   8  11
ENDBRANCH   3   5
BRANCH   2  19
ATOM     19  C   LIG    1       -1.753  -1.538   0.885  0.00  0.00    +0.107 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.194  -1.071   0.719  0.00  0.00    +0.086 C 
BRANCH  20  21
ATOM     21  S   LIG    1       -3.664   0.095   2.040  0.00  0.00    -0.087 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -5.257   0.529   1.505  0.00  0.00    +0.170 A 
ATOM     23  N   LIG    1       -5.670   1.714   2.029  0.00  0.00    -0.301 N 
ATOM     24  H   LIG    1       -5.049   2.224   2.639  0.00  0.00    +0.171 HD
ATOM     25  C   LIG    1       -6.895   2.260   1.758  0.00  0.00    +0.260 A 
ATOM     26  O   LIG    1       -7.260   3.328   2.236  0.00  0.00    -0.267 OA
ATOM     27  C   LIG    1       -7.751   1.474   0.851  0.00  0.00    +0.065 A 
ATOM     28  C   LIG    1       -7.239   0.265   0.367  0.00  0.00    +0.079 A 
ATOM     29  C   LIG    1       -8.030  -0.498  -0.493  0.00  0.00    +0.028 A 
ATOM     30  C   LIG    1       -9.307  -0.060  -0.860  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1       -9.804   1.148  -0.368  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1       -9.026   1.921   0.492  0.00  0.00    +0.015 A 
ATOM     33  N   LIG    1       -5.960  -0.207   0.714  0.00  0.00    -0.223 NA
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 7