REMARK  Name = BDB034843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.218   1.530  -0.472  0.00  0.00    -0.281 N 
ATOM      2  C   LIG    1       -0.043   2.173  -0.103  0.00  0.00    +0.154 C 
ATOM      3  N   LIG    1        0.904   1.930   0.729  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1        0.130   3.701  -1.003  0.00  0.00    -0.091 S 
ATOM      5  C   LIG    1       -1.616   3.678  -1.480  0.00  0.00    +0.096 C 
ATOM      6  C   LIG    1       -1.935   2.194  -1.577  0.00  0.00    +0.124 C 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.373  -0.619  -0.098  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1       -1.291   0.117  -0.628  0.00  0.00    +0.039 A 
ATOM      9  C   LIG    1       -0.295  -0.562  -1.358  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1       -0.361  -1.940  -1.559  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -1.433  -2.661  -1.049  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -2.432  -2.006  -0.329  0.00  0.00    +0.005 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.523  -0.488   2.159  0.00  0.00    +0.009 C 
ATOM     14  C   LIG    1       -3.470   0.025   0.725  0.00  0.00    +0.033 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  C   LIG    1        0.735   0.860   1.560  0.00  0.00    +0.271 C 
ATOM     16  O   LIG    1       -0.142   0.783   2.413  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        1.744  -0.183   1.372  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        2.914  -0.209   0.538  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.504  -1.460   0.701  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.613  -1.934   0.104  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        5.184  -1.040  -0.734  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        4.716   0.240  -0.991  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        2.760  -2.168   1.599  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        2.984  -3.108   1.891  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        3.557   0.677  -0.348  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        1.699  -1.414   2.016  0.00  0.00    +0.098 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 4