REMARK  Name = BDB017737
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.700  -0.875   1.073  0.00  0.00    +0.107 A 
ATOM      2  C   LIG    1        0.407  -0.454   0.740  0.00  0.00    +0.052 A 
ATOM      3  C   LIG    1       -0.559  -1.425   0.542  0.00  0.00    +0.041 A 
ATOM      4  N   LIG    1       -1.915  -1.273   0.193  0.00  0.00    -0.269 N 
ATOM      5  C   LIG    1       -2.550  -2.603   0.229  0.00  0.00    +0.118 C 
ATOM      6  C   LIG    1       -1.437  -3.643   0.402  0.00  0.00    +0.056 C 
ATOM      7  C   LIG    1       -2.555  -0.070  -0.071  0.00  0.00    +0.237 C 
ATOM      8  O   LIG    1       -1.978   1.019  -0.114  0.00  0.00    -0.274 OA
ATOM      9  C   LIG    1       -0.251  -2.781   0.689  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        1.028  -3.204   1.025  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1        2.014  -2.238   1.222  0.00  0.00    +0.029 A 
ENDROOT
BRANCH   1  12
ATOM     12  S   LIG    1        2.957   0.349   1.345  0.00  0.00    +0.059 S 
ATOM     13  O   LIG    1        4.108  -0.310   1.923  0.00  0.00    -0.153 OA
ATOM     14  O   LIG    1        2.343   1.498   1.973  0.00  0.00    -0.153 OA
BRANCH  12  15
ATOM     15  N   LIG    1        3.303   0.804  -0.258  0.00  0.00    -0.184 NA
ATOM     16  H   LIG    1        2.742   1.632  -0.474  0.00  0.00    +0.149 HD
BRANCH  15  18
ATOM     17  C   LIG    1        5.351   2.219   0.112  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        4.736   1.025  -0.576  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        5.619  -0.157  -0.892  0.00  0.00    +0.025 C 
ATOM     20  C   LIG    1        5.174   0.752  -1.998  0.00  0.00    +0.025 C 
ENDBRANCH  15  18
ENDBRANCH  12  15
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  C   LIG    1       -4.056  -0.185  -0.408  0.00  0.00    +0.207 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -4.792   1.065  -0.331  0.00  0.00    -0.255 N 
ATOM     23  C   LIG    1       -5.269   1.551   0.862  0.00  0.00    +0.403 C 
ATOM     24  O   LIG    1       -5.333   0.937   1.914  0.00  0.00    -0.226 OA
ATOM     25  O   LIG    1       -5.672   2.849   0.704  0.00  0.00    -0.449 OA
ATOM     26  C   LIG    1       -5.549   3.186  -0.684  0.00  0.00    +0.253 C 
ATOM     27  C   LIG    1       -4.613   2.146  -1.251  0.00  0.00    +0.152 C 
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 5