REMARK  Name = BDB053479
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.793   0.233  -1.050  0.00  0.00    +0.116 A 
ATOM      2  N   LIG    1        0.336   0.553  -0.306  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.813  -0.299   0.571  0.00  0.00    +0.168 A 
ATOM      4  C   LIG    1        0.139  -1.575   0.740  0.00  0.00    +0.179 A 
ATOM      5  N   LIG    1       -0.971  -1.871  -0.005  0.00  0.00    -0.294 N 
ATOM      6  C   LIG    1       -1.372  -3.132   0.380  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -0.457  -3.511   1.348  0.00  0.00    +0.140 A 
ATOM      8  N   LIG    1        0.484  -2.536   1.570  0.00  0.00    -0.232 NA
ATOM      9  C   LIG    1       -1.438  -0.945  -0.913  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   6  10
ATOM     10  C   LIG    1       -2.561  -3.999  -0.108  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -3.506  -3.697  -1.058  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -4.336  -4.783  -1.125  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -5.148  -4.917  -1.719  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -3.994  -5.770  -0.283  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -2.913  -5.292   0.336  0.00  0.00    +0.144 A 
ENDBRANCH   6  10
BRANCH   3  16
ATOM     16  N   LIG    1        1.928  -0.048   1.351  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1        2.147  -0.827   1.970  0.00  0.00    +0.154 HD
BRANCH  16  18
ATOM     18  C   LIG    1        2.736   1.037   1.425  0.00  0.00    +0.091 A 
ATOM     19  S   LIG    1        4.073   1.093   2.507  0.00  0.00    +0.027 S 
ATOM     20  N   LIG    1        4.584   2.612   2.099  0.00  0.00    -0.214 NA
ATOM     21  C   LIG    1        3.776   3.100   1.159  0.00  0.00    +0.049 A 
ATOM     22  C   LIG    1        4.044   4.465   0.633  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        2.712   2.238   0.744  0.00  0.00    +0.055 A 
ENDBRANCH  16  18
ENDBRANCH   3  16
BRANCH   1  24
ATOM     24  S   LIG    1       -1.477   1.329  -2.240  0.00  0.00    -0.105 S 
BRANCH  24  26
ATOM     25  C   LIG    1       -0.877   3.627  -0.820  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1       -0.460   2.818  -2.036  0.00  0.00    +0.072 C 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5