REMARK  Name = BDB029925
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.547  -2.002  -2.839  0.00  0.00    -0.228 N 
ATOM      2  H   LIG    1       -0.660  -3.000  -2.649  0.00  0.00    +0.171 HD
ATOM      3  C   LIG    1       -1.214  -1.013  -2.144  0.00  0.00    +0.262 C 
ATOM      4  O   LIG    1       -0.902   0.172  -2.249  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -2.321  -1.424  -1.241  0.00  0.00    +0.075 A 
ATOM      6  C   LIG    1       -2.646  -2.760  -1.010  0.00  0.00    +0.154 A 
ATOM      7  F   LIG    1       -1.950  -3.739  -1.611  0.00  0.00    -0.203 F 
ATOM      8  C   LIG    1       -3.692  -3.091  -0.151  0.00  0.00    +0.077 A 
ATOM      9 CL   LIG    1       -4.094  -4.741   0.136  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -4.422  -2.088   0.487  0.00  0.00    +0.033 A 
ATOM     11  C   LIG    1       -4.115  -0.737   0.271  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -3.059  -0.416  -0.596  0.00  0.00    +0.026 A 
BRANCH  11  13
ATOM     13  C   LIG    1       -4.897   0.285   0.950  0.00  0.00    +0.089 A 
ATOM     14  N   LIG    1       -5.887  -0.018   1.859  0.00  0.00    -0.236 NA
ATOM     15  C   LIG    1       -6.370   1.137   2.257  0.00  0.00    +0.199 A 
ATOM     16  N   LIG    1       -5.735   2.175   1.643  0.00  0.00    -0.339 N 
ATOM     17  C   LIG    1       -6.022   3.572   1.847  0.00  0.00    +0.150 C 
ATOM     18  C   LIG    1       -4.790   1.653   0.804  0.00  0.00    +0.115 A 
ENDBRANCH  11  13
ENDBRANCH   3   5
BRANCH   1  19
ATOM     19  N   LIG    1        0.650  -1.605  -3.656  0.00  0.00    -0.112 NA
ATOM     20  H   LIG    1        0.580  -0.683  -4.104  0.00  0.00    +0.171 HD
BRANCH  19  21
ATOM     21  S   LIG    1        2.178  -1.876  -2.961  0.00  0.00    +0.045 S 
ATOM     22  O   LIG    1        3.159  -1.557  -3.974  0.00  0.00    -0.157 OA
ATOM     23  O   LIG    1        2.130  -3.170  -2.313  0.00  0.00    -0.157 OA
BRANCH  21  24
ATOM     24  C   LIG    1        2.230  -0.604  -1.703  0.00  0.00    +0.191 C 
BRANCH  24  27
ATOM     25  N   LIG    1        4.685   0.297   0.920  0.00  0.00    -0.312 N 
ATOM     26  C   LIG    1        3.677   0.672  -0.068  0.00  0.00    +0.112 C 
ATOM     27  C   LIG    1        3.597  -0.509  -1.037  0.00  0.00    +0.030 C 
ATOM     28  C   LIG    1        3.947  -1.689  -0.131  0.00  0.00    +0.025 C 
ATOM     29  C   LIG    1        5.048  -1.111   0.744  0.00  0.00    +0.107 C 
BRANCH  25  30
ATOM     30  C   LIG    1        5.411   1.173   1.688  0.00  0.00    +0.133 C 
ATOM     31  S   LIG    1        6.883   0.823   2.416  0.00  0.00    -0.019 S 
BRANCH  30  33
ATOM     32  C   LIG    1        3.561   2.842   2.014  0.00  0.00    +0.127 C 
ATOM     33  N   LIG    1        4.944   2.436   1.891  0.00  0.00    -0.329 N 
ATOM     34  H   LIG    1        5.592   2.975   2.456  0.00  0.00    +0.147 HD
ENDBRANCH  30  33
ENDBRANCH  25  30
ENDBRANCH  24  27
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 8