REMARK  Name = BDB058843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.234   2.278   0.859  0.00  0.00    +0.259 C 
ATOM      2  N   LIG    1       -1.893   1.361   0.060  0.00  0.00    -0.228 N 
ATOM      3  H   LIG    1       -1.388   0.701  -0.529  0.00  0.00    +0.171 HD
ATOM      4  O   LIG    1       -1.797   2.895   1.758  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        2.411   1.675  -0.050  0.00  0.00    -0.017 A 
ATOM      6  C   LIG    1        1.050   1.440   0.206  0.00  0.00    +0.021 A 
ATOM      7  C   LIG    1        0.203   2.497   0.568  0.00  0.00    +0.039 A 
ATOM      8  C   LIG    1        0.715   3.790   0.704  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        2.060   4.036   0.445  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        2.899   2.987   0.064  0.00  0.00    +0.008 A 
BRANCH   5  14
ATOM     11  C   LIG    1        5.069  -1.552  -1.048  0.00  0.00    +0.120 A 
ATOM     12  C   LIG    1        4.417  -1.532   0.184  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1        3.545  -0.481   0.501  0.00  0.00    +0.012 A 
ATOM     14  C   LIG    1        3.312   0.569  -0.402  0.00  0.00    -0.018 A 
ATOM     15  C   LIG    1        3.974   0.537  -1.636  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        4.840  -0.515  -1.954  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        6.220  -3.579  -0.585  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        5.947  -2.507  -1.480  0.00  0.00    -0.495 OA
ENDBRANCH  11  18
ENDBRANCH   5  14
ENDBRANCH   1   7
BRANCH   2  19
ATOM     19  N   LIG    1       -3.239   0.855   0.597  0.00  0.00    -0.108 NA
ATOM     20  H   LIG    1       -3.524   1.422   1.412  0.00  0.00    +0.172 HD
BRANCH  19  21
ATOM     21  S   LIG    1       -3.200  -0.790   1.076  0.00  0.00    +0.074 S 
ATOM     22  O   LIG    1       -3.226  -0.809   2.522  0.00  0.00    -0.152 OA
ATOM     23  O   LIG    1       -2.142  -1.433   0.322  0.00  0.00    -0.152 OA
BRANCH  21  24
ATOM     24  C   LIG    1       -4.758  -1.365   0.461  0.00  0.00    +0.107 A 
ATOM     25  C   LIG    1       -5.811  -1.610   1.347  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -7.032  -2.064   0.850  0.00  0.00    +0.002 A 
ATOM     27  C   LIG    1       -7.193  -2.280  -0.521  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -6.133  -2.045  -1.399  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -4.910  -1.589  -0.911  0.00  0.00    +0.028 A 
ENDBRANCH  21  24
ENDBRANCH  19  21
ENDBRANCH   2  19
TORSDOF 6