REMARK  Name = BDB033591
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.772  -2.994  -1.068  0.00  0.00    -0.196 N 
ATOM      2  H   LIG    1       -1.208  -3.758  -1.584  0.00  0.00    +0.175 HD
ENDROOT
BRANCH   1   3
ATOM      3  C   LIG    1        0.590  -2.896  -1.339  0.00  0.00    +0.192 A 
ATOM      4  C   LIG    1        1.504  -1.868  -0.981  0.00  0.00    +0.106 A 
ATOM      5  C   LIG    1        2.702  -2.322  -1.506  0.00  0.00    +0.173 A 
ATOM      6  C   LIG    1        3.926  -1.669  -1.385  0.00  0.00    +0.055 A 
ATOM      7  C   LIG    1        3.920  -0.453  -0.690  0.00  0.00    -0.019 A 
ATOM      8  C   LIG    1        2.711   0.055  -0.172  0.00  0.00    +0.052 A 
ATOM      9  O   LIG    1        2.500  -3.490  -2.170  0.00  0.00    -0.353 OA
ATOM     10  C   LIG    1        1.485  -0.628  -0.310  0.00  0.00    +0.135 A 
ATOM     11  N   LIG    1        1.162  -3.832  -2.104  0.00  0.00    -0.060 NA
BRANCH  10  12
ATOM     12  O   LIG    1        0.278  -0.146   0.123  0.00  0.00    -0.494 OA
ATOM     13  C   LIG    1        0.310   0.982   0.993  0.00  0.00    +0.277 C 
ENDBRANCH  10  12
BRANCH   7  14
ATOM     14  C   LIG    1        5.203   0.327  -0.510  0.00  0.00    +0.178 C 
BRANCH  14  15
ATOM     15  N   LIG    1        5.223   1.521  -1.343  0.00  0.00    -0.267 N 
ATOM     16  N   LIG    1        4.862   2.715  -0.825  0.00  0.00    -0.179 NA
ATOM     17  C   LIG    1        5.020   3.562  -1.845  0.00  0.00    +0.134 A 
ATOM     18  C   LIG    1        5.486   2.922  -3.008  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        5.614   1.601  -2.651  0.00  0.00    +0.108 A 
ENDBRANCH  14  15
ENDBRANCH   7  14
ENDBRANCH   1   3
BRANCH   1  20
ATOM     20  S   LIG    1       -1.307  -3.107   0.534  0.00  0.00    +0.082 S 
ATOM     21  O   LIG    1       -2.153  -4.284   0.569  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -0.147  -3.003   1.396  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -3.053  -1.105  -0.257  0.00  0.00    +0.154 A 
ATOM     24  C   LIG    1       -2.361  -1.726   0.780  0.00  0.00    +0.211 A 
ATOM     25  C   LIG    1       -2.507  -1.206   2.054  0.00  0.00    +0.246 A 
ATOM     26  N   LIG    1       -3.261  -0.110   2.326  0.00  0.00    -0.216 NA
ATOM     27  C   LIG    1       -3.929   0.499   1.319  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1       -3.856   0.004   0.022  0.00  0.00    +0.071 A 
BRANCH  27  29
ATOM     29  C   LIG    1       -4.779   1.704   1.642  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.229   2.796   2.531  0.00  0.00    +0.010 C 
ATOM     31  C   LIG    1       -4.423   3.057   1.068  0.00  0.00    +0.010 C 
ENDBRANCH  27  29
BRANCH  23  33
ATOM     32  C   LIG    1       -2.653  -0.681  -2.516  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1       -3.042  -1.631  -1.521  0.00  0.00    -0.493 OA
ENDBRANCH  23  33
BRANCH  25  34
ATOM     34  O   LIG    1       -1.909  -1.843   3.117  0.00  0.00    -0.478 OA
ATOM     35  C   LIG    1       -2.068  -1.178   4.365  0.00  0.00    +0.279 C 
ENDBRANCH  25  34
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 9