REMARK  Name = BDB030081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.952  -2.239  -0.346  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1       -0.573  -3.235  -1.222  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.180  -3.607  -1.956  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.143  -1.687   0.398  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.117  -0.431   0.671  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.784  -0.863   0.606  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.381  -1.830  -0.333  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -3.325  -2.361  -1.211  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -2.960  -3.280  -2.120  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -4.651  -1.938  -1.157  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -5.817  -2.591  -2.243  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -5.047  -0.980  -0.224  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -4.337   2.873   4.369  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -4.666   2.019   3.257  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -3.805   1.169   2.618  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -4.561   0.566   1.633  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -5.853   1.041   1.671  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -5.884   1.911   2.656  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        0.888  -3.563  -1.329  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.428  -3.440  -0.464  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        1.697  -3.027  -2.719  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        3.028  -3.589  -2.687  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        0.805  -3.260  -3.837  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        1.799  -1.256  -2.466  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        2.633  -0.829  -1.264  0.00  0.00    +0.013 C 
ATOM     26  C   LIG    1        2.408   0.646  -0.918  0.00  0.00    +0.027 C 
ATOM     27  C   LIG    1        3.627   1.053  -0.081  0.00  0.00    +0.075 C 
ATOM     28  C   LIG    1        4.696  -0.018  -0.351  0.00  0.00    +0.022 C 
ATOM     29  C   LIG    1        4.143  -0.871  -1.488  0.00  0.00    +0.007 C 
BRANCH  27  30
ATOM     30  N   LIG    1        4.082   2.387  -0.430  0.00  0.00    -0.297 N 
ATOM     31  H   LIG    1        4.270   2.567  -1.406  0.00  0.00    +0.151 HD
ATOM     32  C   LIG    1        4.906   3.074   0.414  0.00  0.00    +0.297 C 
ATOM     33  O   LIG    1        5.252   2.723   1.530  0.00  0.00    -0.253 OA
ATOM     34  N   LIG    1        5.322   4.247  -0.130  0.00  0.00    -0.313 N 
ATOM     35  H   LIG    1        5.834   4.816   0.534  0.00  0.00    +0.146 HD
ATOM     36  H   LIG    1        4.623   4.756  -0.651  0.00  0.00    +0.146 HD
ENDBRANCH  27  30
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 7