REMARK  Name = BDB033561
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.466  -0.564   0.942  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.588  -0.043   0.146  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        1.036   1.047   0.868  0.00  0.00    +0.176 A 
ATOM      4  C   LIG    1        2.075   1.881   0.475  0.00  0.00    +0.096 A 
ATOM      5  C   LIG    1        2.682   1.549  -0.738  0.00  0.00    +0.137 A 
ATOM      6  C   LIG    1        2.245   0.469  -1.520  0.00  0.00    +0.093 A 
ATOM      7  O   LIG    1        0.299   1.168   2.004  0.00  0.00    -0.353 OA
ATOM      8  C   LIG    1        1.200  -0.361  -1.083  0.00  0.00    +0.138 A 
ATOM      9  N   LIG    1       -0.648   0.160   2.050  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  10
ATOM     10  N   LIG    1       -1.216  -1.677   0.588  0.00  0.00    -0.196 N 
ATOM     11  H   LIG    1       -1.096  -2.046  -0.353  0.00  0.00    +0.175 HD
BRANCH  10  12
ATOM     12  S   LIG    1       -2.654  -2.117   1.315  0.00  0.00    +0.081 S 
ATOM     13  O   LIG    1       -2.351  -2.447   2.692  0.00  0.00    -0.150 OA
ATOM     14  O   LIG    1       -3.254  -3.113   0.444  0.00  0.00    -0.150 OA
BRANCH  12  16
ATOM     15  C   LIG    1       -3.807  -0.015  -0.019  0.00  0.00    +0.150 A 
ATOM     16  C   LIG    1       -3.674  -0.673   1.213  0.00  0.00    +0.191 A 
ATOM     17  C   LIG    1       -4.361  -0.181   2.326  0.00  0.00    +0.150 A 
ATOM     18  C   LIG    1       -5.155   0.968   2.210  0.00  0.00    +0.048 A 
ATOM     19  C   LIG    1       -5.240   1.647   0.996  0.00  0.00    +0.007 A 
ATOM     20  C   LIG    1       -4.563   1.158  -0.118  0.00  0.00    +0.048 A 
BRANCH  15  22
ATOM     21  C   LIG    1       -4.076  -1.022  -2.079  0.00  0.00    +0.277 C 
ATOM     22  O   LIG    1       -3.153  -0.468  -1.137  0.00  0.00    -0.493 OA
ENDBRANCH  15  22
BRANCH  17  23
ATOM     23  O   LIG    1       -4.387  -0.853   3.517  0.00  0.00    -0.493 OA
ATOM     24  C   LIG    1       -3.597  -0.186   4.503  0.00  0.00    +0.277 C 
ENDBRANCH  17  23
ENDBRANCH  12  16
ENDBRANCH  10  12
ENDBRANCH   1  10
BRANCH   8  25
ATOM     25  O   LIG    1        0.710  -1.438  -1.774  0.00  0.00    -0.494 OA
ATOM     26  C   LIG    1        1.563  -1.983  -2.777  0.00  0.00    +0.277 C 
ENDBRANCH   8  25
BRANCH   5  27
ATOM     27  O   LIG    1        3.682   2.377  -1.196  0.00  0.00    -0.438 OA
BRANCH  27  28
ATOM     28  C   LIG    1        4.972   1.852  -1.203  0.00  0.00    +0.220 A 
ATOM     29  N   LIG    1        5.216   0.625  -0.686  0.00  0.00    -0.221 NA
ATOM     30  C   LIG    1        6.497   0.200  -0.715  0.00  0.00    +0.114 A 
ATOM     31  C   LIG    1        7.545   0.940  -1.239  0.00  0.00    +0.020 A 
ATOM     32  C   LIG    1        7.266   2.197  -1.764  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        5.956   2.666  -1.746  0.00  0.00    +0.067 A 
ENDBRANCH  27  28
ENDBRANCH   5  27
TORSDOF 8