REMARK  Name = BDB019806
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.214   0.472  -1.405  0.00  0.00    -0.269 OA
ATOM      2  C   LIG    1        0.250   0.573  -0.650  0.00  0.00    +0.259 C 
ATOM      3  N   LIG    1        0.310   1.305   0.526  0.00  0.00    -0.228 N 
ATOM      4  H   LIG    1       -0.260   0.987   1.310  0.00  0.00    +0.171 HD
ENDROOT
BRANCH   2   5
ATOM      5  C   LIG    1       -1.031  -0.130  -0.932  0.00  0.00    +0.039 A 
ATOM      6  C   LIG    1       -2.251   0.310  -0.395  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -3.443  -0.376  -0.678  0.00  0.00    +0.003 A 
ATOM      8  C   LIG    1       -3.385  -1.506  -1.509  0.00  0.00    +0.010 A 
ATOM      9  C   LIG    1       -2.175  -1.937  -2.058  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -1.000  -1.246  -1.774  0.00  0.00    +0.013 A 
BRANCH   7  11
ATOM     11  C   LIG    1       -4.729   0.071  -0.125  0.00  0.00    +0.092 A 
ATOM     12  N   LIG    1       -5.830  -0.696  -0.203  0.00  0.00    -0.174 NA
ATOM     13  N   LIG    1       -6.792   0.018   0.399  0.00  0.00    -0.284 N 
ATOM     14  H   LIG    1       -7.722  -0.383   0.456  0.00  0.00    +0.188 HD
ATOM     15  C   LIG    1       -6.365   1.223   0.863  0.00  0.00    +0.105 A 
ATOM     16  C   LIG    1       -5.032   1.293   0.540  0.00  0.00    +0.049 A 
ENDBRANCH   7  11
ENDBRANCH   2   5
BRANCH   3  17
ATOM     17  N   LIG    1        1.735   1.738   0.936  0.00  0.00    -0.108 NA
ATOM     18  H   LIG    1        2.350   1.766   0.109  0.00  0.00    +0.172 HD
BRANCH  17  19
ATOM     19  S   LIG    1        2.425   0.772   2.180  0.00  0.00    +0.074 S 
ATOM     20  O   LIG    1        1.532  -0.347   2.407  0.00  0.00    -0.152 OA
ATOM     21  O   LIG    1        2.805   1.658   3.259  0.00  0.00    -0.152 OA
BRANCH  19  22
ATOM     22  C   LIG    1        3.896   0.171   1.396  0.00  0.00    +0.107 A 
ATOM     23  C   LIG    1        3.804  -0.889   0.489  0.00  0.00    +0.028 A 
ATOM     24  C   LIG    1        4.961  -1.368  -0.125  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        6.199  -0.796   0.175  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.286   0.254   1.090  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1        5.134   0.741   1.707  0.00  0.00    +0.028 A 
ENDBRANCH  19  22
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 5