REMARK  Name = BDB034895
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.902   1.012   0.198  0.00  0.00    +0.047 A 
ATOM      2  N   LIG    1       -1.123  -0.155   0.309  0.00  0.00    -0.291 N 
ATOM      3  C   LIG    1        0.207   0.049   0.680  0.00  0.00    +0.171 A 
ATOM      4  N   LIG    1        1.126  -0.855   0.812  0.00  0.00    -0.152 NA
ATOM      5  S   LIG    1        0.443   1.811   0.915  0.00  0.00    -0.060 S 
ATOM      6  C   LIG    1       -1.215   2.135   0.487  0.00  0.00    +0.071 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -1.590  -1.449  -0.030  0.00  0.00    +0.067 A 
ATOM      8  C   LIG    1       -1.401  -2.005  -1.308  0.00  0.00    +0.065 A 
ATOM      9 CL   LIG    1       -0.603  -1.125  -2.566  0.00  0.00    -0.081 Cl
ATOM     10  C   LIG    1       -1.871  -3.288  -1.602  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -2.530  -4.032  -0.624  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.719  -3.498   0.649  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -2.251  -2.216   0.945  0.00  0.00    +0.028 A 
ENDBRANCH   2   7
BRANCH   4  14
ATOM     14  C   LIG    1        2.369  -0.453   1.224  0.00  0.00    +0.270 C 
ATOM     15  O   LIG    1        2.625  -0.173   2.388  0.00  0.00    -0.268 OA
BRANCH  14  16
ATOM     16  C   LIG    1        3.428  -0.428   0.175  0.00  0.00    +0.049 A 
ATOM     17  C   LIG    1        4.630   0.237   0.361  0.00  0.00    +0.008 A 
ATOM     18  C   LIG    1        5.180   1.025   1.457  0.00  0.00    +0.006 C 
ATOM     19  C   LIG    1        6.399   1.457   1.095  0.00  0.00    -0.020 C 
ATOM     20  C   LIG    1        6.786   0.998  -0.289  0.00  0.00    +0.083 C 
ATOM     21  C   LIG    1        5.560   0.213  -0.681  0.00  0.00    +0.053 A 
ATOM     22  N   LIG    1        5.399  -0.406  -1.866  0.00  0.00    -0.259 NA
ATOM     23  C   LIG    1        4.221  -1.047  -2.018  0.00  0.00    +0.112 A 
ATOM     24  C   LIG    1        3.224  -1.088  -1.048  0.00  0.00    +0.033 A 
ENDBRANCH  14  16
ENDBRANCH   4  14
BRANCH   1  25
ATOM     25  C   LIG    1       -3.354   0.964  -0.231  0.00  0.00    +0.138 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -5.312   2.225  -0.859  0.00  0.00    +0.105 C 
ATOM     27  N   LIG    1       -4.119   2.207  -0.009  0.00  0.00    -0.303 NA
ATOM     28  C   LIG    1       -4.519   2.337   1.397  0.00  0.00    +0.105 C 
ENDBRANCH  25  27
ENDBRANCH   1  25
TORSDOF 5