REMARK  Name = BDB029747
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.877   0.331  -0.458  0.00  0.00    +0.262 C 
ATOM      2  N   LIG    1        0.121   0.285  -1.415  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1        0.040  -0.331  -2.229  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -0.664   0.771   0.671  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1       -4.533  -0.596  -0.144  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.239  -0.134   0.141  0.00  0.00    +0.026 A 
ATOM      7  C   LIG    1       -2.223  -0.180  -0.829  0.00  0.00    +0.075 A 
ATOM      8  C   LIG    1       -2.510  -0.696  -2.092  0.00  0.00    +0.154 A 
ATOM      9  F   LIG    1       -1.554  -0.756  -3.033  0.00  0.00    -0.203 F 
ATOM     10  C   LIG    1       -3.792  -1.155  -2.388  0.00  0.00    +0.077 A 
ATOM     11 CL   LIG    1       -4.151  -1.790  -3.949  0.00  0.00    -0.081 Cl
ATOM     12  C   LIG    1       -4.798  -1.106  -1.423  0.00  0.00    +0.033 A 
BRANCH   5  16
ATOM     13  C   LIG    1       -7.173  -0.032   4.022  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -6.768  -0.314   2.668  0.00  0.00    -0.339 N 
ATOM     15  C   LIG    1       -5.506  -0.168   2.161  0.00  0.00    +0.115 A 
ATOM     16  C   LIG    1       -5.602  -0.559   0.842  0.00  0.00    +0.089 A 
ATOM     17  N   LIG    1       -6.896  -0.935   0.552  0.00  0.00    -0.236 NA
ATOM     18  C   LIG    1       -7.571  -0.775   1.669  0.00  0.00    +0.199 A 
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1        1.551   0.476  -0.890  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        1.517   0.786   0.096  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.508  -0.933  -0.998  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        2.545  -1.521   0.322  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.020  -1.681  -2.140  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        4.113  -0.249  -1.407  0.00  0.00    +0.190 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.649   0.799  -0.421  0.00  0.00    +0.016 C 
ATOM     26  C   LIG    1        4.996   0.186   0.948  0.00  0.00    +0.033 C 
ATOM     27  C   LIG    1        6.117   0.959   1.628  0.00  0.00    +0.160 C 
ATOM     28  O   LIG    1        7.331   0.932   0.879  0.00  0.00    -0.380 OA
ATOM     29  C   LIG    1        7.175   0.882  -0.538  0.00  0.00    +0.160 C 
ATOM     30  C   LIG    1        5.877   1.521  -1.013  0.00  0.00    +0.033 C 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6