REMARK  Name = BDB058893
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.129  -1.291  -0.603  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.201  -2.320  -0.652  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   4
ATOM      3  C   LIG    1       -2.254  -1.902  -0.860  0.00  0.00    +0.262 C 
ATOM      4  N   LIG    1       -1.329  -0.874  -0.864  0.00  0.00    -0.228 N 
ATOM      5  H   LIG    1       -1.605   0.025  -0.456  0.00  0.00    +0.171 HD
ATOM      6  O   LIG    1       -1.906  -3.076  -0.982  0.00  0.00    -0.269 OA
BRANCH   3   8
ATOM      7  C   LIG    1       -4.143  -0.286  -0.233  0.00  0.00    +0.132 A 
ATOM      8  C   LIG    1       -3.694  -1.536  -0.700  0.00  0.00    +0.080 A 
ATOM      9  C   LIG    1       -4.634  -2.533  -1.015  0.00  0.00    +0.017 A 
ATOM     10  C   LIG    1       -6.001  -2.288  -0.893  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.443  -1.043  -0.456  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1       -5.520  -0.046  -0.130  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -3.570   1.625   1.063  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1       -3.202   0.664   0.075  0.00  0.00    -0.494 OA
ENDBRANCH   7  14
ENDBRANCH   3   8
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  S   LIG    1        0.723  -0.785   0.921  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1       -0.022   0.391   1.323  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1        0.803  -1.962   1.758  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1        2.365  -0.276   0.494  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1        2.546   0.938  -0.176  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1        3.838   1.371  -0.510  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1        4.952   0.571  -0.157  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1        6.243   1.008  -0.494  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1        6.435   2.214  -1.169  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.340   3.000  -1.515  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.746  -0.641   0.524  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1        4.049   2.582  -1.188  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1        3.458  -1.065   0.854  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5