REMARK  Name = BDB033580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.140  -0.222  -0.988  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.124  -0.034  -0.374  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.472  -1.298   0.060  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        1.651  -1.604   0.726  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.518  -0.526   0.948  0.00  0.00    +0.141 A 
ATOM      6  C   LIG    1        2.200   0.792   0.565  0.00  0.00    +0.038 A 
ATOM      7  C   LIG    1        3.157   1.919   0.852  0.00  0.00    +0.046 C 
ATOM      8  C   LIG    1        2.489   3.272   0.657  0.00  0.00    +0.046 C 
ATOM      9  C   LIG    1        1.684   3.240  -0.628  0.00  0.00    +0.229 C 
ATOM     10  O   LIG    1        0.616   2.292  -0.547  0.00  0.00    -0.491 OA
ATOM     11  O   LIG    1       -0.518  -2.172  -0.263  0.00  0.00    -0.353 OA
ATOM     12  C   LIG    1        0.999   1.040  -0.130  0.00  0.00    +0.141 A 
ATOM     13  N   LIG    1       -1.538  -1.495  -0.913  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  14
ATOM     14  N   LIG    1       -1.876   0.806  -1.562  0.00  0.00    -0.196 N 
ATOM     15  H   LIG    1       -1.544   1.760  -1.427  0.00  0.00    +0.175 HD
BRANCH  14  16
ATOM     16  S   LIG    1       -3.496   0.699  -1.955  0.00  0.00    +0.082 S 
ATOM     17  O   LIG    1       -3.606  -0.291  -3.007  0.00  0.00    -0.150 OA
ATOM     18  O   LIG    1       -3.944   2.058  -2.192  0.00  0.00    -0.150 OA
BRANCH  16  20
ATOM     19  C   LIG    1       -5.225  -0.898  -0.498  0.00  0.00    +0.153 A 
ATOM     20  C   LIG    1       -4.298   0.142  -0.494  0.00  0.00    +0.211 A 
ATOM     21  C   LIG    1       -4.010   0.750   0.720  0.00  0.00    +0.246 A 
ATOM     22  N   LIG    1       -4.570   0.365   1.895  0.00  0.00    -0.219 NA
ATOM     23  C   LIG    1       -5.467  -0.641   1.856  0.00  0.00    +0.118 A 
ATOM     24  C   LIG    1       -5.832  -1.290   0.694  0.00  0.00    +0.067 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -5.103  -2.788  -1.817  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -5.660  -1.480  -1.655  0.00  0.00    -0.493 OA
ENDBRANCH  19  26
BRANCH  21  27
ATOM     27  O   LIG    1       -3.114   1.799   0.751  0.00  0.00    -0.478 OA
ATOM     28  C   LIG    1       -2.893   2.336   2.051  0.00  0.00    +0.279 C 
ENDBRANCH  21  27
ENDBRANCH  16  20
ENDBRANCH  14  16
ENDBRANCH   1  14
BRANCH   5  29
ATOM     29  O   LIG    1        3.688  -0.769   1.636  0.00  0.00    -0.438 OA
BRANCH  29  30
ATOM     30  C   LIG    1        4.751  -1.256   0.877  0.00  0.00    +0.220 A 
ATOM     31  N   LIG    1        4.657  -1.314  -0.471  0.00  0.00    -0.221 NA
ATOM     32  C   LIG    1        5.734  -1.788  -1.133  0.00  0.00    +0.114 A 
ATOM     33  C   LIG    1        6.902  -2.199  -0.511  0.00  0.00    +0.020 A 
ATOM     34  C   LIG    1        6.974  -2.120   0.876  0.00  0.00    +0.007 A 
ATOM     35  C   LIG    1        5.879  -1.639   1.588  0.00  0.00    +0.067 A 
ENDBRANCH  29  30
ENDBRANCH   5  29
TORSDOF 7