REMARK  Name = BDB049702
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.278  -0.760   0.102  0.00  0.00    +0.050 A 
ATOM      2  C   LIG    1        1.042   0.058   0.234  0.00  0.00    +0.267 A 
ATOM      3  O   LIG    1        1.124   1.236   0.556  0.00  0.00    -0.266 OA
ATOM      4  N   LIG    1       -0.087  -0.720  -0.045  0.00  0.00    -0.246 N 
ATOM      5  S   LIG    1        0.321  -2.349  -0.424  0.00  0.00    -0.011 S 
ATOM      6  C   LIG    1        1.997  -2.025  -0.223  0.00  0.00    +0.074 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -1.447  -0.267  -0.025  0.00  0.00    +0.057 A 
ATOM      8  C   LIG    1       -1.777   1.066   0.269  0.00  0.00    +0.027 A 
ATOM      9  C   LIG    1       -3.107   1.508   0.287  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.143   0.625   0.012  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -3.849  -0.700  -0.282  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -2.519  -1.138  -0.301  0.00  0.00    +0.027 A 
ENDBRANCH   4   7
BRANCH   1  13
ATOM     13  C   LIG    1        3.611  -0.162   0.370  0.00  0.00    +0.222 C 
BRANCH  13  16
ATOM     14  N   LIG    1        4.189   2.879  -0.779  0.00  0.00    +0.068 NA
ATOM     15  N   LIG    1        4.142   1.741  -0.804  0.00  0.00    -0.167 NA
ATOM     16  N   LIG    1        4.115   0.497  -0.838  0.00  0.00    -0.105 NA
ENDBRANCH  13  16
ENDBRANCH   1  13
TORSDOF 3