REMARK  Name = BDB034869
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.887   1.925   0.081  0.00  0.00    -0.309 N 
ATOM      2  C   LIG    1        0.260   2.460   0.652  0.00  0.00    +0.149 C 
ATOM      3  N   LIG    1        1.498   2.117   0.597  0.00  0.00    -0.155 NA
ATOM      4  S   LIG    1       -0.008   3.888   1.665  0.00  0.00    -0.093 S 
ATOM      5  C   LIG    1       -0.850   4.933   0.445  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1       -1.517   4.165  -0.689  0.00  0.00    +0.030 C 
ATOM      7  C   LIG    1       -2.021   2.798  -0.241  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1       -2.575  -3.483   0.183  0.00  0.00    +0.104 C 
ATOM      9  N   LIG    1       -2.015  -2.136   0.254  0.00  0.00    -0.305 NA
ATOM     10  C   LIG    1       -2.916  -1.204   0.926  0.00  0.00    +0.086 C 
ATOM     11  C   LIG    1       -2.189   0.110   1.241  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -1.147   0.468   0.166  0.00  0.00    +0.078 C 
ATOM     13  C   LIG    1       -1.534  -0.133  -1.184  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -1.610  -1.661  -1.079  0.00  0.00    +0.086 C 
ENDBRANCH   1  12
BRANCH   3  15
ATOM     15  C   LIG    1        1.869   1.137  -0.279  0.00  0.00    +0.271 C 
ATOM     16  O   LIG    1        1.617   1.133  -1.479  0.00  0.00    -0.268 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.649   0.080   0.366  0.00  0.00    +0.065 A 
ATOM     18  C   LIG    1        3.163  -1.109  -0.247  0.00  0.00    +0.031 A 
ATOM     19  C   LIG    1        3.826  -1.830   0.741  0.00  0.00    +0.139 A 
ATOM     20  N   LIG    1        4.458  -3.011   0.614  0.00  0.00    -0.237 NA
ATOM     21  C   LIG    1        4.407  -3.502  -0.645  0.00  0.00    +0.113 A 
ATOM     22  C   LIG    1        3.784  -2.895  -1.727  0.00  0.00    +0.020 A 
ATOM     23  N   LIG    1        3.735  -1.129   1.909  0.00  0.00    -0.345 N 
ATOM     24  H   LIG    1        4.139  -1.441   2.780  0.00  0.00    +0.167 HD
ATOM     25  C   LIG    1        3.143  -1.671  -1.537  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1        3.026   0.024   1.703  0.00  0.00    +0.098 A 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 3