REMARK  Name = BDB001705
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.847   1.928  -0.748  0.00  0.00    -0.288 N 
ATOM      2  C   LIG    1       -1.540   2.811   0.094  0.00  0.00    +0.254 C 
ATOM      3  O   LIG    1       -2.770   2.820   0.138  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   2   4
ATOM      4  C   LIG    1       -0.774   3.747   0.896  0.00  0.00    +0.074 A 
ATOM      5  S   LIG    1        0.145   3.196   2.231  0.00  0.00    -0.092 S 
ATOM      6  C   LIG    1        0.637   4.787   2.625  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        0.074   5.725   1.787  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -0.760   5.125   0.799  0.00  0.00    +0.021 A 
ENDBRANCH   2   4
BRANCH   1   9
ATOM      9  C   LIG    1        0.554   2.124  -1.139  0.00  0.00    +0.143 C 
BRANCH   9  13
ATOM     10  C   LIG    1        3.010  -1.439  -0.993  0.00  0.00    +0.120 A 
ATOM     11  C   LIG    1        2.299  -1.032   0.134  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        1.510   0.123   0.089  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1        1.408   0.880  -1.085  0.00  0.00    -0.030 A 
ATOM     14  C   LIG    1        2.144   0.477  -2.207  0.00  0.00    +0.009 A 
ATOM     15  C   LIG    1        2.936  -0.673  -2.157  0.00  0.00    +0.046 A 
BRANCH  10  17
ATOM     16  C   LIG    1        3.817  -3.420   0.038  0.00  0.00    +0.277 C 
ATOM     17  O   LIG    1        3.807  -2.546  -1.085  0.00  0.00    -0.495 OA
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   1   9
BRANCH   1  18
ATOM     18  C   LIG    1       -1.641   0.984  -1.541  0.00  0.00    +0.143 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.766  -0.378  -0.896  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.502  -0.551   0.284  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -2.608  -1.810   0.889  0.00  0.00    +0.046 A 
ATOM     22  C   LIG    1       -1.980  -2.917   0.320  0.00  0.00    +0.120 A 
ATOM     23  C   LIG    1       -1.254  -2.753  -0.861  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -1.151  -1.499  -1.468  0.00  0.00    +0.009 A 
BRANCH  22  25
ATOM     25  O   LIG    1       -1.998  -4.194   0.810  0.00  0.00    -0.495 OA
ATOM     26  C   LIG    1       -2.751  -4.413   1.996  0.00  0.00    +0.277 C 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 7