REMARK  Name = BDB053471
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.956  -0.261   0.037  0.00  0.00    +0.167 A 
ATOM      2  C   LIG    1        1.801   1.170  -0.186  0.00  0.00    +0.179 A 
ATOM      3  N   LIG    1        0.576   1.764  -0.026  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1        0.753   3.100  -0.310  0.00  0.00    +0.076 A 
ATOM      5  C   LIG    1        2.097   3.218  -0.620  0.00  0.00    +0.140 A 
ATOM      6  C   LIG    1       -0.505   0.994   0.348  0.00  0.00    +0.118 A 
ATOM      7  C   LIG    1       -0.332  -0.330   0.548  0.00  0.00    +0.074 A 
ATOM      8  N   LIG    1        2.748   2.011  -0.543  0.00  0.00    -0.232 NA
ATOM      9  N   LIG    1        0.901  -0.956   0.391  0.00  0.00    -0.230 NA
ENDROOT
BRANCH   4  10
ATOM     10  C   LIG    1       -0.279   4.257  -0.303  0.00  0.00    +0.038 A 
ATOM     11  C   LIG    1        0.014   5.567  -0.606  0.00  0.00    +0.115 A 
ATOM     12  N   LIG    1       -1.158   6.256  -0.485  0.00  0.00    -0.284 N 
ATOM     13  H   LIG    1       -1.324   7.247  -0.631  0.00  0.00    +0.188 HD
ATOM     14  N   LIG    1       -2.194   5.484  -0.124  0.00  0.00    -0.182 NA
ATOM     15  C   LIG    1       -1.656   4.266  -0.012  0.00  0.00    +0.144 A 
ENDBRANCH   4  10
BRANCH   1  16
ATOM     16  N   LIG    1        3.213  -0.814  -0.138  0.00  0.00    -0.290 N 
ATOM     17  H   LIG    1        3.893  -0.107  -0.410  0.00  0.00    +0.154 HD
BRANCH  16  22
ATOM     18  C   LIG    1        6.331  -4.731  -0.121  0.00  0.00    +0.066 C 
ATOM     19  C   LIG    1        5.080  -3.938   0.009  0.00  0.00    +0.049 A 
ATOM     20  N   LIG    1        3.962  -4.571   0.360  0.00  0.00    -0.214 NA
ATOM     21  S   LIG    1        2.726  -3.472   0.434  0.00  0.00    +0.027 S 
ATOM     22  C   LIG    1        3.653  -2.093  -0.008  0.00  0.00    +0.091 A 
ATOM     23  C   LIG    1        4.952  -2.530  -0.211  0.00  0.00    +0.055 A 
ENDBRANCH  16  22
ENDBRANCH   1  16
BRANCH   7  24
ATOM     24  C   LIG    1       -1.476  -1.256   0.949  0.00  0.00    +0.141 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -2.826  -0.793   0.569  0.00  0.00    -0.292 NA
ATOM     26  C   LIG    1       -3.065  -0.997  -0.881  0.00  0.00    +0.113 C 
ATOM     27  C   LIG    1       -4.499  -0.600  -1.267  0.00  0.00    +0.175 C 
ATOM     28  O   LIG    1       -5.463  -1.355  -0.523  0.00  0.00    -0.377 OA
ATOM     29  C   LIG    1       -5.271  -1.148   0.883  0.00  0.00    +0.175 C 
ATOM     30  C   LIG    1       -3.853  -1.554   1.315  0.00  0.00    +0.113 C 
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 5