REMARK  Name = BDB034917
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.891  -1.365  -2.330  0.00  0.00    -0.155 NA
ATOM      2  C   LIG    1       -0.270  -1.527  -1.818  0.00  0.00    +0.150 C 
ATOM      3  N   LIG    1       -1.092  -0.880  -0.909  0.00  0.00    -0.301 N 
ATOM      4  C   LIG    1       -2.211  -1.718  -0.410  0.00  0.00    +0.111 C 
ATOM      5  C   LIG    1       -2.630  -2.593  -1.591  0.00  0.00    +0.101 C 
ATOM      6  S   LIG    1       -1.076  -3.009  -2.412  0.00  0.00    -0.091 S 
ENDROOT
BRANCH   1   8
ATOM      7  O   LIG    1        1.504   0.827  -2.519  0.00  0.00    -0.268 OA
ATOM      8  C   LIG    1        1.633  -0.275  -1.999  0.00  0.00    +0.271 C 
BRANCH   8   9
ATOM      9  C   LIG    1        2.627  -0.552  -0.960  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        3.509   0.393  -0.338  0.00  0.00    +0.031 A 
ATOM     11  C   LIG    1        4.262  -0.302   0.602  0.00  0.00    +0.139 A 
ATOM     12  N   LIG    1        5.208   0.188   1.423  0.00  0.00    -0.237 NA
ATOM     13  C   LIG    1        5.407   1.516   1.264  0.00  0.00    +0.113 A 
ATOM     14  C   LIG    1        4.732   2.334   0.368  0.00  0.00    +0.020 A 
ATOM     15  N   LIG    1        3.881  -1.612   0.566  0.00  0.00    -0.345 N 
ATOM     16  H   LIG    1        4.286  -2.327   1.152  0.00  0.00    +0.167 HD
ATOM     17  C   LIG    1        3.757   1.773  -0.458  0.00  0.00    +0.014 A 
ATOM     18  C   LIG    1        2.893  -1.782  -0.368  0.00  0.00    +0.098 A 
ENDBRANCH   8   9
ENDBRANCH   1   8
BRANCH   3  19
ATOM     19  C   LIG    1       -0.699   0.276  -0.103  0.00  0.00    +0.142 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -1.871   1.163   0.267  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -2.154   1.452   1.610  0.00  0.00    +0.005 A 
ATOM     22  C   LIG    1       -3.229   2.275   1.945  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.026   2.826   0.943  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.745   2.561  -0.396  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -2.670   1.738  -0.734  0.00  0.00    +0.005 A 
ENDBRANCH  19  20
ENDBRANCH   3  19
BRANCH   4  26
ATOM     26  C   LIG    1       -1.794  -2.573   0.810  0.00  0.00    +0.179 C 
BRANCH  26  27
ATOM     27  O   LIG    1       -1.694  -1.788   1.999  0.00  0.00    -0.393 OA
ATOM     28  H   LIG    1       -2.564  -1.382   2.161  0.00  0.00    +0.209 HD
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 6