REMARK  Name = BDB057668
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -2.005  -0.657  -1.192  0.00  0.00    -0.218 N 
ATOM      2  C   LIG    1       -1.184  -0.979  -0.141  0.00  0.00    +0.261 C 
ATOM      3  O   LIG    1       -1.496  -1.655   0.828  0.00  0.00    -0.269 OA
ATOM      4  C   LIG    1        0.164  -0.384  -0.351  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1        1.159  -0.572   0.526  0.00  0.00    +0.028 C 
ATOM      6  S   LIG    1        0.195   0.496  -1.829  0.00  0.00    -0.026 S 
ATOM      7  C   LIG    1       -1.491   0.152  -2.166  0.00  0.00    +0.286 C 
ATOM      8  O   LIG    1       -2.080   0.586  -3.143  0.00  0.00    -0.262 OA
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1        2.521  -0.041   0.412  0.00  0.00    -0.024 A 
ATOM     10  C   LIG    1        3.595  -0.927   0.284  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        4.908  -0.447   0.192  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1        5.157   0.924   0.234  0.00  0.00    +0.120 A 
ATOM     13  C   LIG    1        4.085   1.808   0.373  0.00  0.00    +0.046 A 
ATOM     14  C   LIG    1        2.774   1.332   0.465  0.00  0.00    +0.011 A 
BRANCH  12  15
ATOM     15  O   LIG    1        6.384   1.522   0.154  0.00  0.00    -0.495 OA
ATOM     16  C   LIG    1        7.508   0.666  -0.005  0.00  0.00    +0.277 C 
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  17
ATOM     17  C   LIG    1       -3.406  -1.028  -1.194  0.00  0.00    +0.238 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -4.209   0.046  -0.478  0.00  0.00    +0.325 C 
ATOM     19  O   LIG    1       -3.744   1.070   0.006  0.00  0.00    -0.249 OA
BRANCH  18  20
ATOM     20  O   LIG    1       -5.526  -0.307  -0.458  0.00  0.00    -0.464 OA
BRANCH  20  22
ATOM     21  C   LIG    1       -6.466   0.342   1.678  0.00  0.00    +0.048 C 
ATOM     22  C   LIG    1       -6.412   0.621   0.188  0.00  0.00    +0.229 C 
ENDBRANCH  20  22
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 6