REMARK  Name = BDB029794
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.190   0.332   1.126  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.017   0.987   1.286  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.244   1.813   0.724  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.352  -0.825   1.511  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.620   1.033  -0.327  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -3.530   0.398   0.294  0.00  0.00    +0.042 A 
ATOM      7  C   LIG    1       -2.300   1.064   0.459  0.00  0.00    +0.076 A 
ATOM      8  C   LIG    1       -2.166   2.371  -0.004  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.002   3.026   0.136  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.241   3.009  -0.620  0.00  0.00    +0.079 A 
ATOM     11 CL   LIG    1       -3.080   4.627  -1.190  0.00  0.00    -0.080 Cl
ATOM     12  C   LIG    1       -4.464   2.350  -0.783  0.00  0.00    +0.049 A 
BRANCH   5  17
ATOM     13  C   LIG    1       -8.307  -2.370  -0.276  0.00  0.00    +0.067 C 
ATOM     14  C   LIG    1       -7.478  -1.159  -0.458  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1       -7.996  -0.044  -1.058  0.00  0.00    -0.241 NA
ATOM     16  C   LIG    1       -7.017   0.833  -1.065  0.00  0.00    +0.204 A 
ATOM     17  N   LIG    1       -5.862   0.349  -0.488  0.00  0.00    -0.306 N 
ATOM     18  C   LIG    1       -6.166  -0.939  -0.098  0.00  0.00    +0.115 A 
ENDBRANCH   5  17
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.218   0.089   1.618  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.887  -0.861   1.857  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.348  -0.025   0.335  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.296   1.235  -0.377  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.090  -1.288  -0.320  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.873  -0.131   1.268  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.118  -0.118   0.374  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        5.241  -1.387  -0.489  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.690  -1.730  -0.826  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.464  -0.541  -0.927  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        7.632   0.113   0.331  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        6.386   0.050   1.216  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6