REMARK  Name = BDB053476
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.174  -0.389   1.223  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1       -0.328  -1.671   0.754  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1       -0.645  -1.845  -0.569  0.00  0.00    -0.294 N 
ATOM      4  C   LIG    1       -1.091  -3.143  -0.693  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1       -1.007  -3.667   0.586  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -0.479  -0.794  -1.451  0.00  0.00    +0.121 A 
ATOM      7  C   LIG    1       -0.003   0.378  -0.981  0.00  0.00    +0.091 A 
ATOM      8  N   LIG    1       -0.532  -2.745   1.485  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.314   0.585   0.354  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -1.587  -3.906  -1.948  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1       -2.009  -5.216  -1.949  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -2.357  -5.504  -3.237  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -2.713  -6.377  -3.613  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -2.191  -4.470  -4.075  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -1.722  -3.497  -3.288  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   7  16
ATOM     16  C   LIG    1        0.160   1.528  -1.895  0.00  0.00    +0.020 A 
ATOM     17  C   LIG    1        0.733   1.411  -3.161  0.00  0.00    +0.120 A 
ATOM     18  N   LIG    1        0.898   2.439  -4.030  0.00  0.00    -0.263 NA
ATOM     19  C   LIG    1        0.491   3.656  -3.611  0.00  0.00    +0.111 A 
ATOM     20  C   LIG    1       -0.072   3.891  -2.368  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1       -0.234   2.811  -1.502  0.00  0.00    +0.013 A 
ENDBRANCH   7  16
BRANCH   1  22
ATOM     22  N   LIG    1        0.477  -0.252   2.565  0.00  0.00    -0.290 N 
ATOM     23  H   LIG    1        0.288  -1.102   3.094  0.00  0.00    +0.154 HD
BRANCH  22  28
ATOM     24  C   LIG    1        2.346   4.252   3.822  0.00  0.00    +0.066 C 
ATOM     25  C   LIG    1        1.846   2.855   3.921  0.00  0.00    +0.049 A 
ATOM     26  N   LIG    1        1.831   2.269   5.117  0.00  0.00    -0.214 NA
ATOM     27  S   LIG    1        1.242   0.731   4.951  0.00  0.00    +0.027 S 
ATOM     28  C   LIG    1        0.978   0.803   3.252  0.00  0.00    +0.091 A 
ATOM     29  C   LIG    1        1.369   2.059   2.830  0.00  0.00    +0.055 A 
ENDBRANCH  22  28
ENDBRANCH   1  22
TORSDOF 4