REMARK  Name = BDB049007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.463   0.733   1.994  0.00  0.00    -0.295 N 
ATOM      2  H   LIG    1        0.390  -0.220   2.316  0.00  0.00    +0.151 HD
ATOM      3  C   LIG    1        1.423   0.979   1.032  0.00  0.00    +0.306 C 
ATOM      4  N   LIG    1        2.461   0.090   1.144  0.00  0.00    -0.248 N 
ATOM      5  H   LIG    1        2.541  -0.444   1.994  0.00  0.00    +0.158 HD
ATOM      6  O   LIG    1        1.323   1.893   0.225  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.557  -0.005   0.326  0.00  0.00    +0.168 A 
ATOM      8  S   LIG    1        3.675   0.809  -1.169  0.00  0.00    -0.028 S 
ATOM      9  C   LIG    1        5.201   0.107  -1.407  0.00  0.00    +0.185 A 
ATOM     10  C   LIG    1        5.530  -0.711  -0.354  0.00  0.00    +0.153 A 
ATOM     11  N   LIG    1        4.571  -0.781   0.643  0.00  0.00    -0.231 NA
BRANCH   9  12
ATOM     12  N   LIG    1        5.985   0.368  -2.570  0.00  0.00    +0.065 N 
ATOM     13  O   LIG    1        5.520   1.115  -3.439  0.00  0.00    -0.126 OA
ATOM     14  O   LIG    1        7.090  -0.189  -2.619  0.00  0.00    -0.126 OA
ENDBRANCH   9  12
ENDBRANCH   4   7
BRANCH   1  15
ATOM     15  C   LIG    1       -0.774   1.488   2.015  0.00  0.00    +0.141 C 
BRANCH  15  19
ATOM     16  C   LIG    1       -3.853  -0.658  -0.134  0.00  0.00    +0.120 A 
ATOM     17  C   LIG    1       -2.957   0.162  -0.819  0.00  0.00    +0.046 A 
ATOM     18  C   LIG    1       -1.967   0.861  -0.119  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1       -1.863   0.754   1.274  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1       -2.760  -0.076   1.956  0.00  0.00    +0.009 A 
ATOM     21  C   LIG    1       -3.748  -0.772   1.254  0.00  0.00    +0.046 A 
BRANCH  16  23
ATOM     22  C   LIG    1       -5.025  -1.291  -2.102  0.00  0.00    +0.277 C 
ATOM     23  O   LIG    1       -4.862  -1.393  -0.693  0.00  0.00    -0.495 OA
ENDBRANCH  16  23
ENDBRANCH  15  19
ENDBRANCH   1  15
TORSDOF 5