REMARK  Name = BDB032920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.565   0.710   0.236  0.00  0.00    +0.134 A 
ATOM      2  C   LIG    1        1.219  -0.442  -0.242  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1        0.491  -1.639  -0.330  0.00  0.00    +0.018 A 
ATOM      4  C   LIG    1       -0.854  -1.700   0.047  0.00  0.00    +0.024 A 
ATOM      5  C   LIG    1       -1.512  -0.579   0.549  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1       -0.789   0.626   0.603  0.00  0.00    +0.069 A 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        2.660  -0.501  -0.682  0.00  0.00    +0.253 C 
ATOM      8  N   LIG    1        3.323   0.700  -0.750  0.00  0.00    -0.261 N 
ATOM      9  H   LIG    1        2.825   1.543  -0.486  0.00  0.00    +0.157 HD
ATOM     10  O   LIG    1        3.140  -1.599  -0.951  0.00  0.00    -0.270 OA
BRANCH   8  11
ATOM     11  C   LIG    1        4.624   0.924  -1.113  0.00  0.00    +0.167 A 
ATOM     12  S   LIG    1        5.685  -0.318  -1.614  0.00  0.00    -0.028 S 
ATOM     13  C   LIG    1        6.909   0.837  -1.818  0.00  0.00    +0.185 A 
ATOM     14  C   LIG    1        6.452   2.093  -1.499  0.00  0.00    +0.153 A 
ATOM     15  N   LIG    1        5.128   2.140  -1.095  0.00  0.00    -0.231 NA
BRANCH  13  16
ATOM     16  N   LIG    1        8.221   0.487  -2.260  0.00  0.00    +0.065 N 
ATOM     17  O   LIG    1        8.434  -0.679  -2.613  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1        9.056   1.401  -2.259  0.00  0.00    -0.126 OA
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   2   7
BRANCH   5  19
ATOM     19  N   LIG    1       -2.871  -0.545   0.870  0.00  0.00    -0.341 N 
ATOM     20  H   LIG    1       -3.078   0.175   1.559  0.00  0.00    +0.146 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -3.663  -1.772   1.046  0.00  0.00    +0.075 C 
ATOM     22  C   LIG    1       -4.825  -1.481   2.010  0.00  0.00    +0.050 C 
ATOM     23  C   LIG    1       -5.955  -2.469   1.777  0.00  0.00    +0.161 C 
ATOM     24  O   LIG    1       -6.506  -2.384   0.462  0.00  0.00    -0.380 OA
ATOM     25  C   LIG    1       -5.624  -1.861  -0.533  0.00  0.00    +0.161 C 
ATOM     26  C   LIG    1       -4.181  -2.283  -0.308  0.00  0.00    +0.050 C 
ENDBRANCH  19  21
ENDBRANCH   5  19
BRANCH   1  27
ATOM     27  O   LIG    1        1.287   1.876   0.297  0.00  0.00    -0.491 OA
BRANCH  27  29
ATOM     28  C   LIG    1        1.790   4.060   1.110  0.00  0.00    +0.048 C 
ATOM     29  C   LIG    1        0.730   2.974   1.025  0.00  0.00    +0.226 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
TORSDOF 7