REMARK  Name = BDB058882
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.471  -0.090   1.228  0.00  0.00    -0.108 NA
ATOM      2  H   LIG    1        0.674  -0.347   2.208  0.00  0.00    +0.172 HD
ENDROOT
BRANCH   1   5
ATOM      3  O   LIG    1        2.921  -0.162   2.450  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        2.939   0.063   1.240  0.00  0.00    +0.262 C 
ATOM      5  N   LIG    1        1.779   0.317   0.533  0.00  0.00    -0.228 N 
ATOM      6  H   LIG    1        1.800   0.191  -0.485  0.00  0.00    +0.171 HD
BRANCH   4   7
ATOM      7  C   LIG    1        4.220   0.063   0.472  0.00  0.00    +0.079 A 
ATOM      8  C   LIG    1        4.292   0.085  -0.929  0.00  0.00    +0.129 A 
ATOM      9  C   LIG    1        5.529   0.074  -1.578  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1        6.707   0.037  -0.830  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1        6.650   0.007   0.561  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.413   0.018   1.209  0.00  0.00    +0.017 A 
BRANCH   8  13
ATOM     13  O   LIG    1        3.149   0.107  -1.685  0.00  0.00    -0.506 OA
ATOM     14  H   LIG    1        3.384  -0.021  -2.622  0.00  0.00    +0.292 HD
ENDBRANCH   8  13
ENDBRANCH   4   7
ENDBRANCH   1   5
BRANCH   1  15
ATOM     15  S   LIG    1       -0.324  -1.409   0.482  0.00  0.00    +0.074 S 
ATOM     16  O   LIG    1        0.044  -1.420  -0.920  0.00  0.00    -0.152 OA
ATOM     17  O   LIG    1       -0.126  -2.562   1.333  0.00  0.00    -0.152 OA
BRANCH  15  18
ATOM     18  C   LIG    1       -2.016  -0.898   0.600  0.00  0.00    +0.107 A 
ATOM     19  C   LIG    1       -2.483   0.105  -0.255  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -3.823   0.516  -0.191  0.00  0.00    -0.016 A 
ATOM     21  C   LIG    1       -4.695  -0.098   0.741  0.00  0.00    -0.018 A 
ATOM     22  C   LIG    1       -6.034   0.316   0.802  0.00  0.00    +0.008 A 
ATOM     23  C   LIG    1       -6.510   1.321  -0.042  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -5.653   1.924  -0.958  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1       -4.205  -1.110   1.584  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -4.317   1.524  -1.033  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -2.870  -1.514   1.515  0.00  0.00    +0.029 A 
ENDBRANCH  15  18
ENDBRANCH   1  15
TORSDOF 5