REMARK  Name = BDB058902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.495  -0.955  -2.921  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.022  -1.087  -1.796  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.793  -1.021  -0.649  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1        0.363  -0.928   0.270  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.427  -1.334  -1.598  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1       -2.138  -0.717  -0.555  0.00  0.00    +0.041 A 
ATOM      7  C   LIG    1       -3.508  -0.974  -0.402  0.00  0.00    +0.066 A 
ATOM      8  C   LIG    1       -4.152  -1.841  -1.300  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -3.444  -2.432  -2.348  0.00  0.00    +0.003 A 
ATOM     10  C   LIG    1       -2.083  -2.174  -2.503  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  N   LIG    1       -4.261  -0.365   0.643  0.00  0.00    -0.240 N 
ATOM     12  N   LIG    1       -5.584  -0.638   0.797  0.00  0.00    -0.175 NA
ATOM     13  C   LIG    1       -5.961   0.086   1.851  0.00  0.00    +0.135 A 
ATOM     14  C   LIG    1       -4.907   0.829   2.397  0.00  0.00    +0.041 A 
ATOM     15  C   LIG    1       -3.825   0.522   1.606  0.00  0.00    +0.114 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  16
ATOM     16  N   LIG    1        2.138  -0.292  -0.797  0.00  0.00    -0.108 NA
ATOM     17  H   LIG    1        2.362  -0.172  -1.799  0.00  0.00    +0.172 HD
BRANCH  16  18
ATOM     18  S   LIG    1        2.142   1.255  -0.056  0.00  0.00    +0.074 S 
ATOM     19  O   LIG    1        1.113   1.236   0.967  0.00  0.00    -0.152 OA
ATOM     20  O   LIG    1        2.143   2.236  -1.117  0.00  0.00    -0.152 OA
BRANCH  18  21
ATOM     21  C   LIG    1        3.726   1.256   0.734  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1        4.804   1.909   0.129  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        6.043   1.924   0.769  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.198   1.298   2.007  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        5.115   0.658   2.613  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        3.873   0.639   1.980  0.00  0.00    +0.028 A 
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 5