REMARK  Name = BDB063175
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.453  -1.506   1.132  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1       -1.129  -1.456  -0.093  0.00  0.00    +0.033 A 
ATOM      3  C   LIG    1       -2.444  -1.022  -0.075  0.00  0.00    -0.032 A 
ATOM      4  C   LIG    1       -3.409  -0.872  -1.237  0.00  0.00    +0.073 C 
ATOM      5  C   LIG    1       -4.660  -0.363  -0.552  0.00  0.00    -0.009 A 
ATOM      6  C   LIG    1       -5.907  -0.032  -1.072  0.00  0.00    -0.007 A 
ATOM      7  C   LIG    1       -6.894   0.417  -0.162  0.00  0.00    +0.044 A 
ATOM      8  C   LIG    1       -8.178   0.725  -0.672  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1       -8.463   0.615  -2.035  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -7.477   0.191  -2.920  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.521   0.510   1.208  0.00  0.00    +0.221 A 
ATOM     12  N   LIG    1       -5.320   0.182   1.725  0.00  0.00    -0.212 NA
ATOM     13  C   LIG    1       -6.208  -0.134  -2.444  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -4.433  -0.247   0.824  0.00  0.00    +0.079 A 
ATOM     15  C   LIG    1       -3.081  -0.651   1.130  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -2.413  -0.717   2.341  0.00  0.00    +0.012 A 
ATOM     17  C   LIG    1       -1.085  -1.154   2.342  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  19
ATOM     18  O   LIG    1        1.597  -2.541  -0.134  0.00  0.00    -0.153 OA
ATOM     19  S   LIG    1        1.238  -2.055   1.180  0.00  0.00    +0.058 S 
ATOM     20  O   LIG    1        1.412  -2.858   2.369  0.00  0.00    -0.153 OA
BRANCH  19  21
ATOM     21  N   LIG    1        2.075  -0.628   1.440  0.00  0.00    -0.190 NA
ATOM     22  H   LIG    1        2.263  -0.421   2.419  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1        1.968   0.473   0.484  0.00  0.00    +0.107 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.315   1.182   0.359  0.00  0.00    +0.032 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.352   0.310  -0.364  0.00  0.00    +0.086 C 
BRANCH  25  26
ATOM     26  N   LIG    1        5.612   1.037  -0.579  0.00  0.00    -0.298 NA
ATOM     27  C   LIG    1        6.430   1.163   0.650  0.00  0.00    +0.112 C 
ATOM     28  C   LIG    1        7.629   0.201   0.700  0.00  0.00    +0.175 C 
ATOM     29  O   LIG    1        8.532   0.369  -0.400  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1        7.878   0.806  -1.600  0.00  0.00    +0.175 C 
ATOM     31  C   LIG    1        6.400   0.396  -1.657  0.00  0.00    +0.112 C 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH  11  32
ATOM     32  O   LIG    1       -7.394   0.985   2.148  0.00  0.00    -0.492 OA
ATOM     33  H   LIG    1       -7.920   1.674   1.719  0.00  0.00    +0.294 HD
ENDBRANCH  11  32
TORSDOF 7