REMARK  Name = BDB033571
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.988   0.646   0.784  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1        0.215   0.296   0.125  0.00  0.00    +0.106 A 
ATOM      3  C   LIG    1        0.629   1.470  -0.465  0.00  0.00    +0.173 A 
ATOM      4  C   LIG    1        1.782   1.599  -1.238  0.00  0.00    +0.055 A 
ATOM      5  C   LIG    1        2.570   0.441  -1.435  0.00  0.00    -0.016 A 
ATOM      6  C   LIG    1        2.172  -0.787  -0.855  0.00  0.00    +0.000 A 
ATOM      7  C   LIG    1        2.941  -2.083  -1.010  0.00  0.00    +0.039 C 
ATOM      8  C   LIG    1        3.630  -2.523   0.286  0.00  0.00    +0.008 C 
ATOM      9  C   LIG    1        2.914  -2.139   1.584  0.00  0.00    +0.041 C 
ATOM     10  C   LIG    1        1.414  -2.448   1.620  0.00  0.00    +0.229 C 
ATOM     11  O   LIG    1        0.622  -2.050   0.491  0.00  0.00    -0.491 OA
ATOM     12  O   LIG    1       -0.258   2.456  -0.172  0.00  0.00    -0.353 OA
ATOM     13  C   LIG    1        1.006  -0.846  -0.052  0.00  0.00    +0.138 A 
ATOM     14  N   LIG    1       -1.276   1.940   0.614  0.00  0.00    -0.060 NA
ENDROOT
BRANCH   1  15
ATOM     15  N   LIG    1       -1.762  -0.255   1.501  0.00  0.00    -0.196 N 
ATOM     16  H   LIG    1       -1.563  -1.247   1.387  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -3.308   0.060   2.052  0.00  0.00    +0.081 S 
ATOM     18  O   LIG    1       -3.203   1.144   3.006  0.00  0.00    -0.150 OA
ATOM     19  O   LIG    1       -3.852  -1.222   2.463  0.00  0.00    -0.150 OA
BRANCH  17  21
ATOM     20  C   LIG    1       -4.133  -0.227  -0.548  0.00  0.00    +0.150 A 
ATOM     21  C   LIG    1       -4.209   0.558   0.612  0.00  0.00    +0.191 A 
ATOM     22  C   LIG    1       -5.006   1.706   0.608  0.00  0.00    +0.150 A 
ATOM     23  C   LIG    1       -5.702   2.073  -0.551  0.00  0.00    +0.048 A 
ATOM     24  C   LIG    1       -5.581   1.317  -1.716  0.00  0.00    +0.007 A 
ATOM     25  C   LIG    1       -4.793   0.170  -1.717  0.00  0.00    +0.048 A 
BRANCH  20  27
ATOM     26  C   LIG    1       -4.181  -2.534  -0.659  0.00  0.00    +0.277 C 
ATOM     27  O   LIG    1       -3.363  -1.363  -0.581  0.00  0.00    -0.493 OA
ENDBRANCH  20  27
BRANCH  22  28
ATOM     28  O   LIG    1       -5.233   2.433   1.743  0.00  0.00    -0.493 OA
ATOM     29  C   LIG    1       -4.550   3.688   1.699  0.00  0.00    +0.277 C 
ENDBRANCH  22  28
ENDBRANCH  17  21
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   5  30
ATOM     30  C   LIG    1        3.831   0.584  -2.265  0.00  0.00    +0.179 C 
BRANCH  30  31
ATOM     31  N   LIG    1        5.041   0.544  -1.454  0.00  0.00    -0.267 N 
ATOM     32  N   LIG    1        6.005  -0.360  -1.730  0.00  0.00    -0.179 NA
ATOM     33  C   LIG    1        6.963  -0.086  -0.840  0.00  0.00    +0.134 A 
ATOM     34  C   LIG    1        6.628   0.998  -0.009  0.00  0.00    +0.041 A 
ATOM     35  C   LIG    1        5.384   1.395  -0.438  0.00  0.00    +0.108 A 
ENDBRANCH  30  31
ENDBRANCH   5  30
TORSDOF 7