REMARK  Name = BDB033779
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.138  -0.339  -0.585  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.083  -0.756  -0.222  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -0.472  -1.980  -0.634  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1        0.309  -2.814  -1.390  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        1.541  -2.304  -1.709  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        1.971  -1.088  -1.320  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -0.137  -4.156  -1.828  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1        0.827  -4.827  -2.526  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -0.463  -4.980  -0.794  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.218  -4.127  -2.652  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.490   0.926  -0.126  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        0.718   1.312   0.398  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        4.787   3.508  -0.606  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        3.732   3.854   0.236  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        2.649   2.980   0.371  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.592   1.763  -0.333  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.666   1.446  -1.173  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.756   2.312  -1.321  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        6.171   4.598  -0.794  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        5.844   5.867  -0.186  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        6.660   4.486  -2.147  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        7.301   3.886   0.231  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        7.016   2.968   0.571  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        7.504   4.531   0.997  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -1.726  -2.436  -0.288  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.539  -1.535   0.498  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -3.235  -0.527  -0.449  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -3.833   0.721   0.208  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -4.253   0.626   1.673  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -5.110  -0.582   2.026  0.00  0.00    +0.000 C 
ATOM     31  C   LIG    1       -4.283  -1.809   2.395  0.00  0.00    +0.004 C 
ATOM     32  C   LIG    1       -3.513  -2.456   1.251  0.00  0.00    +0.047 C 
BRANCH  27  33
ATOM     33  O   LIG    1       -4.236  -1.165  -1.257  0.00  0.00    -0.388 OA
ATOM     34  H   LIG    1       -5.026  -1.321  -0.715  0.00  0.00    +0.210 HD
ENDBRANCH  27  33
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8