REMARK  Name = BDB055707
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.746  -0.757   1.212  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        1.697  -0.368   0.052  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        2.761  -0.075  -0.769  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1        2.523   0.069  -1.740  0.00  0.00    +0.156 HD
ATOM      5  N   LIG    1        0.504  -0.193  -0.606  0.00  0.00    -0.291 N 
ATOM      6  H   LIG    1        0.466   0.457  -1.383  0.00  0.00    +0.151 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        4.132  -0.087  -0.444  0.00  0.00    +0.036 A 
ATOM      8  C   LIG    1        4.613  -0.301   0.853  0.00  0.00    +0.042 A 
ATOM      9  C   LIG    1        6.003  -0.286   1.058  0.00  0.00    +0.061 A 
ATOM     10  C   LIG    1        6.917  -0.063   0.026  0.00  0.00    +0.102 A 
ATOM     11  N   LIG    1        8.253  -0.081   0.409  0.00  0.00    -0.141 NA
ATOM     12  N   LIG    1        8.393  -0.311   1.703  0.00  0.00    -0.109 NA
ATOM     13  C   LIG    1        6.417   0.156  -1.271  0.00  0.00    +0.032 A 
ATOM     14  S   LIG    1        6.933  -0.511   2.492  0.00  0.00    +0.037 S 
ATOM     15  C   LIG    1        5.033   0.142  -1.491  0.00  0.00    +0.025 A 
ENDBRANCH   3   7
BRANCH   5  16
ATOM     16  C   LIG    1       -0.756  -0.384   0.091  0.00  0.00    +0.201 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.901   0.187  -0.753  0.00  0.00    +0.233 C 
ATOM     18  N   LIG    1       -3.183   0.107  -0.224  0.00  0.00    -0.300 N 
ATOM     19  C   LIG    1       -3.492  -0.502   1.072  0.00  0.00    +0.108 C 
ATOM     20  C   LIG    1       -4.960  -0.897   1.189  0.00  0.00    +0.019 C 
ATOM     21  C   LIG    1       -5.895   0.288   0.954  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -5.326   1.317  -0.024  0.00  0.00    +0.019 C 
ATOM     23  C   LIG    1       -4.292   0.709  -0.964  0.00  0.00    +0.108 C 
ATOM     24  O   LIG    1       -1.665   0.710  -1.848  0.00  0.00    -0.274 OA
ENDBRANCH  16  17
ENDBRANCH   5  16
TORSDOF 3