REMARK  Name = BDB065335
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.285   0.086  -0.727  0.00  0.00    -0.182 NA
ATOM      2  H   LIG    1        0.333   0.943  -1.296  0.00  0.00    +0.148 HD
ENDROOT
BRANCH   1   3
ATOM      3  S   LIG    1        1.240  -1.114  -1.426  0.00  0.00    +0.059 S 
ATOM      4  O   LIG    1        1.081  -0.975  -2.856  0.00  0.00    -0.153 OA
ATOM      5  O   LIG    1        0.960  -2.359  -0.746  0.00  0.00    -0.153 OA
BRANCH   3   6
ATOM      6  C   LIG    1        2.865  -0.583  -0.970  0.00  0.00    +0.106 A 
ATOM      7  C   LIG    1        3.304  -0.792   0.341  0.00  0.00    +0.037 A 
ATOM      8  C   LIG    1        4.593  -0.393   0.723  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1        5.443   0.218  -0.231  0.00  0.00    -0.018 A 
ATOM     10  C   LIG    1        6.732   0.616   0.156  0.00  0.00    +0.008 A 
ATOM     11  C   LIG    1        7.179   0.417   1.463  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        6.343  -0.184   2.400  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1        4.983   0.410  -1.545  0.00  0.00    +0.010 A 
ATOM     14  C   LIG    1        5.058  -0.586   2.033  0.00  0.00    +0.008 A 
ATOM     15  C   LIG    1        3.699   0.009  -1.918  0.00  0.00    +0.029 A 
ENDBRANCH   3   6
ENDBRANCH   1   3
BRANCH   1  16
ATOM     16  C   LIG    1       -1.143  -0.300  -0.572  0.00  0.00    +0.185 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.982   0.964  -0.663  0.00  0.00    +0.179 C 
ATOM     18  O   LIG    1       -1.506   2.018  -1.092  0.00  0.00    -0.291 OA
BRANCH  17  21
ATOM     19  C   LIG    1       -5.406  -0.294   0.450  0.00  0.00    +0.121 A 
ATOM     20  C   LIG    1       -4.059  -0.289   0.069  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -3.415   0.912  -0.251  0.00  0.00    +0.022 A 
ATOM     22  C   LIG    1       -4.135   2.112  -0.195  0.00  0.00    +0.011 A 
ATOM     23  C   LIG    1       -5.477   2.108   0.184  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -6.112   0.907   0.507  0.00  0.00    +0.045 A 
BRANCH  19  26
ATOM     25  C   LIG    1       -7.275  -1.606   1.119  0.00  0.00    +0.277 C 
ATOM     26  O   LIG    1       -5.907  -1.535   0.736  0.00  0.00    -0.495 OA
ENDBRANCH  19  26
ENDBRANCH  17  21
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6