REMARK  Name = BDB033773
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.833  -0.627  -0.320  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.271  -0.068  -0.835  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.228  -0.900  -1.292  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -1.117  -2.264  -1.310  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1        0.048  -2.742  -0.768  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1        1.021  -1.953  -0.268  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -2.157  -3.150  -1.878  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -3.398  -2.960  -1.350  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -2.296  -3.014  -3.226  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -1.887  -4.474  -1.680  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.777   0.275   0.162  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        1.435   1.212   0.007  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        5.623   0.020   1.863  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        4.999  -1.148   1.427  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        3.722  -1.078   0.858  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        3.060   0.146   0.702  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.719   1.308   1.145  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.994   1.254   1.717  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        7.236  -0.077   2.589  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        7.955  -1.162   1.966  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        7.777   1.259   2.691  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        6.867  -0.534   4.168  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        5.890  -0.796   4.293  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        7.145   0.218   4.801  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       -2.332  -0.332  -1.885  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.937   0.699  -1.082  0.00  0.00    +0.203 C 
ATOM     27  C   LIG    1       -4.105   0.090  -0.278  0.00  0.00    +0.155 C 
ATOM     28  C   LIG    1       -4.933   1.168   0.419  0.00  0.00    +0.035 C 
ATOM     29  C   LIG    1       -5.420   2.234  -0.555  0.00  0.00    +0.003 C 
ATOM     30  C   LIG    1       -4.262   2.845  -1.339  0.00  0.00    +0.004 C 
ATOM     31  C   LIG    1       -3.447   1.772  -2.050  0.00  0.00    +0.047 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -3.594  -0.804   0.716  0.00  0.00    -0.388 OA
ATOM     33  H   LIG    1       -4.357  -1.254   1.117  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8