REMARK  Name = BDB001881
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.413  -0.104   0.586  0.00  0.00    +0.192 A 
ATOM      2  C   LIG    1       -0.346   0.061  -0.306  0.00  0.00    +0.178 A 
ATOM      3  C   LIG    1        0.711  -0.860  -0.406  0.00  0.00    +0.010 A 
ATOM      4  C   LIG    1        0.690  -1.977   0.438  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -0.351  -2.153   1.355  0.00  0.00    +0.050 A 
ATOM      6  C   LIG    1       -1.388  -1.218   1.433  0.00  0.00    +0.161 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.838  -0.716  -1.338  0.00  0.00    +0.030 C 
ATOM      8  C   LIG    1        2.984  -0.080  -1.061  0.00  0.00    +0.079 C 
ATOM      9  C   LIG    1        4.099   0.039  -2.054  0.00  0.00    +0.275 C 
ATOM     10  O   LIG    1        4.060  -0.474  -3.162  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1        5.152   0.771  -1.553  0.00  0.00    -0.162 NA
ATOM     12  C   LIG    1        4.932   1.165  -0.348  0.00  0.00    +0.125 C 
ATOM     13  S   LIG    1        3.432   0.709   0.400  0.00  0.00    -0.061 S 
BRANCH  12  14
ATOM     14  S   LIG    1        6.059   2.110   0.558  0.00  0.00    -0.119 S 
ATOM     15  H   LIG    1        5.279   2.270   1.634  0.00  0.00    +0.109 HD
ENDBRANCH  12  14
ENDBRANCH   3   7
BRANCH   2  16
ATOM     16  N   LIG    1       -0.361   1.210  -1.182  0.00  0.00    +0.061 N 
ATOM     17  O   LIG    1        0.331   2.183  -0.851  0.00  0.00    -0.126 OA
ATOM     18  O   LIG    1       -1.027   1.112  -2.222  0.00  0.00    -0.126 OA
ENDBRANCH   2  16
BRANCH   6  19
ATOM     19  O   LIG    1       -2.369  -1.395   2.369  0.00  0.00    -0.503 OA
ATOM     20  H   LIG    1       -2.153  -2.158   2.930  0.00  0.00    +0.292 HD
ENDBRANCH   6  19
BRANCH   1  21
ATOM     21  O   LIG    1       -2.370   0.875   0.622  0.00  0.00    -0.486 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -4.599   1.436  -0.001  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -3.720   0.408   0.689  0.00  0.00    +0.226 C 
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 6