REMARK  Name = BDB053475
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.720  -0.263  -0.104  0.00  0.00    +0.168 A 
ATOM      2  C   LIG    1       -0.504   0.423   0.286  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -1.725  -0.165   0.076  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -2.668   0.721   0.546  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.935   1.799   1.014  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -1.782  -1.414  -0.509  0.00  0.00    +0.132 A 
ATOM      7  C   LIG    1       -0.629  -2.021  -0.858  0.00  0.00    +0.159 A 
ATOM      8  N   LIG    1       -0.586   1.608   0.849  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.621  -1.448  -0.657  0.00  0.00    -0.216 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -4.215   0.615   0.581  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -5.012  -0.412   0.141  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -6.302  -0.027   0.393  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -7.159  -0.535   0.201  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -6.394   1.182   0.968  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -5.123   1.573   1.082  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        1.926   0.375   0.130  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1        1.788   1.285   0.567  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1        6.926   0.539  -0.068  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.535   0.038  -0.227  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1        5.352  -1.158  -0.780  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1        3.730  -1.479  -0.842  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        3.205  -0.009  -0.121  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        4.343   0.728   0.164  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  C   LIG    1       -0.697  -3.319  -1.466  0.00  0.00    +0.121 C 
ATOM     25  N   LIG    1       -0.809  -4.367  -1.953  0.00  0.00    -0.189 NA
ENDBRANCH   7  24
TORSDOF 4