REMARK  Name = BDB003156
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.750   0.860  -0.134  0.00  0.00    -0.273 N 
ENDROOT
BRANCH   1   8
ATOM      2  O   LIG    1        4.715  -3.356   0.231  0.00  0.00    -0.174 OA
ATOM      3  S   LIG    1        4.384  -2.148   0.958  0.00  0.00    -0.028 S 
ATOM      4  C   LIG    1        4.224  -0.796  -0.229  0.00  0.00    +0.182 C 
ATOM      5  C   LIG    1        2.885  -0.220   0.157  0.00  0.00    +0.101 C 
ATOM      6  C   LIG    1        1.980  -1.427   0.358  0.00  0.00    +0.143 C 
ATOM      7  N   LIG    1        0.625  -0.942   0.652  0.00  0.00    -0.257 NA
ATOM      8  C   LIG    1        0.430   0.144  -0.045  0.00  0.00    +0.157 C 
ATOM      9  S   LIG    1        1.857   0.712  -0.975  0.00  0.00    -0.083 S 
ATOM     10  C   LIG    1        2.650  -2.223   1.457  0.00  0.00    +0.193 C 
ATOM     11  O   LIG    1        5.171  -1.686   2.081  0.00  0.00    -0.174 OA
ENDBRANCH   1   8
BRANCH   1  12
ATOM     12  C   LIG    1       -0.736   2.283  -0.025  0.00  0.00    +0.071 A 
ATOM     13  C   LIG    1        0.010   2.956   0.958  0.00  0.00    +0.145 A 
ATOM     14  F   LIG    1        0.732   2.261   1.850  0.00  0.00    -0.204 F 
ATOM     15  C   LIG    1        0.001   4.346   1.052  0.00  0.00    +0.040 A 
ATOM     16  C   LIG    1       -0.762   5.093   0.158  0.00  0.00    +0.003 A 
ATOM     17  C   LIG    1       -1.513   4.447  -0.824  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -1.502   3.052  -0.914  0.00  0.00    +0.026 A 
ENDBRANCH   1  12
BRANCH   1  19
ATOM     19  C   LIG    1       -1.956   0.321   0.529  0.00  0.00    +0.152 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.433  -0.964  -0.111  0.00  0.00    +0.024 A 
ATOM     21  C   LIG    1       -2.530  -2.184   0.576  0.00  0.00    +0.048 A 
ATOM     22 CL   LIG    1       -2.147  -2.337   2.254  0.00  0.00    -0.083 Cl
ATOM     23  C   LIG    1       -2.972  -3.341  -0.081  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -3.335  -3.299  -1.426  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -3.267  -2.093  -2.114  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1       -2.826  -0.947  -1.456  0.00  0.00    +0.129 A 
ATOM     27  F   LIG    1       -2.800   0.203  -2.145  0.00  0.00    -0.205 F 
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 4