REMARK  Name = BDB032903
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.164  -2.100   0.068  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -0.874  -1.539  -0.693  0.00  0.00    +0.141 A 
ATOM      3  C   LIG    1       -2.041  -2.273  -0.961  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -2.198  -3.555  -0.439  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.190  -4.114   0.340  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.018  -3.394   0.590  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.727  -0.258  -0.305  0.00  0.00    -0.261 N 
ATOM      8  H   LIG    1        1.073   0.088  -0.992  0.00  0.00    +0.157 HD
ATOM      9  C   LIG    1        1.458  -1.409   0.395  0.00  0.00    +0.253 C 
ATOM     10  O   LIG    1        2.182  -1.914   1.247  0.00  0.00    -0.270 OA
BRANCH   7  13
ATOM     11  C   LIG    1        4.411   2.291  -0.354  0.00  0.00    +0.166 A 
ATOM     12  S   LIG    1        2.921   1.896  -1.079  0.00  0.00    -0.030 S 
ATOM     13  C   LIG    1        2.848   0.496  -0.100  0.00  0.00    +0.167 A 
ATOM     14  N   LIG    1        3.848   0.303   0.723  0.00  0.00    -0.231 NA
ATOM     15  C   LIG    1        4.755   1.339   0.579  0.00  0.00    +0.152 A 
BRANCH  11  17
ATOM     16  O   LIG    1        6.240   3.633  -0.095  0.00  0.00    -0.143 OA
ATOM     17  N   LIG    1        5.179   3.491  -0.713  0.00  0.00    -0.022 NA
ENDBRANCH  11  17
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  O   LIG    1       -0.744  -0.287  -1.254  0.00  0.00    -0.455 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -1.634   0.682  -0.841  0.00  0.00    +0.128 A 
ATOM     20  C   LIG    1       -2.044   1.597  -1.811  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1       -2.912   2.635  -1.469  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.358   2.764  -0.154  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.932   1.861   0.821  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.064   0.822   0.482  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 5