REMARK  Name = BDB029915
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.348  -0.335   0.279  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.376  -1.020   0.987  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -0.599  -1.889   1.481  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.046   0.478  -0.593  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -5.132  -0.120   0.173  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.767   0.103  -0.079  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.772  -0.622   0.596  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -3.154  -1.579   1.534  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -2.227  -2.293   2.192  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -4.505  -1.809   1.794  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.979  -2.990   2.956  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -5.491  -1.086   1.121  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -9.373   1.677  -1.693  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -7.989   1.444  -1.369  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -7.496   0.483  -0.532  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -6.127   0.657  -0.550  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -5.795   1.704  -1.382  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -6.933   2.155  -1.858  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.039  -0.959   0.395  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.046  -0.304  -0.406  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.634  -2.475  -0.112  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        1.541  -2.506  -1.553  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.982  -3.473   0.712  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        3.353  -2.365   0.374  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.120  -1.337  -0.435  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        5.603  -1.160  -0.011  0.00  0.00    +0.025 C 
ATOM     27  C   LIG    1        5.459   0.339  -0.367  0.00  0.00    +0.077 C 
ATOM     28  C   LIG    1        3.945   0.169  -0.097  0.00  0.00    +0.025 C 
BRANCH  27  29
ATOM     29  N   LIG    1        6.188   1.318   0.494  0.00  0.00    -0.192 NA
ATOM     30  H   LIG    1        5.896   1.310   1.475  0.00  0.00    +0.148 HD
BRANCH  29  31
ATOM     31  S   LIG    1        7.869   1.501   0.450  0.00  0.00    +0.027 S 
ATOM     32  O   LIG    1        8.315   1.314   1.812  0.00  0.00    -0.158 OA
ATOM     33  O   LIG    1        8.383   0.708  -0.643  0.00  0.00    -0.158 OA
ATOM     34  C   LIG    1        8.008   3.224   0.034  0.00  0.00    +0.214 C 
ENDBRANCH  29  31
ENDBRANCH  27  29
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 8