REMARK  Name = BDB003525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.106  -1.458  -0.367  0.00  0.00    -0.020 A 
ATOM      2  C   LIG    1        1.134  -0.803  -0.327  0.00  0.00    +0.053 A 
ATOM      3  C   LIG    1        2.298  -1.515  -0.028  0.00  0.00    +0.122 A 
ATOM      4  C   LIG    1        2.215  -2.887   0.223  0.00  0.00    +0.046 A 
ATOM      5  C   LIG    1        0.987  -3.546   0.177  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -0.172  -2.833  -0.120  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  12
ATOM      7  N   LIG    1       -4.377   0.544   0.776  0.00  0.00    -0.255 N 
ATOM      8  C   LIG    1       -4.033  -0.066   1.965  0.00  0.00    +0.121 C 
ATOM      9  S   LIG    1       -4.899  -0.103   3.390  0.00  0.00    -0.027 S 
ATOM     10  S   LIG    1       -2.474  -0.863   1.797  0.00  0.00    -0.061 S 
ATOM     11  C   LIG    1       -2.319  -0.418   0.147  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -1.313  -0.692  -0.695  0.00  0.00    +0.028 C 
ATOM     13  C   LIG    1       -3.499   0.376  -0.282  0.00  0.00    +0.258 C 
ATOM     14  O   LIG    1       -3.658   0.798  -1.419  0.00  0.00    -0.269 OA
BRANCH   7  15
ATOM     15  C   LIG    1       -5.618   1.291   0.545  0.00  0.00    +0.126 C 
BRANCH  15  16
ATOM     16  C   LIG    1       -6.710   0.403  -0.044  0.00  0.00    +0.140 C 
BRANCH  16  18
ATOM     17  O   LIG    1       -9.125   0.565  -0.082  0.00  0.00    -0.251 OA
ATOM     18  C   LIG    1       -8.033   1.106  -0.137  0.00  0.00    +0.306 C 
BRANCH  18  19
ATOM     19  O   LIG    1       -7.943   2.428  -0.362  0.00  0.00    -0.481 OA
ATOM     20  H   LIG    1       -8.876   2.720  -0.450  0.00  0.00    +0.295 HD
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1  12
BRANCH   3  21
ATOM     21  O   LIG    1        3.562  -1.000   0.048  0.00  0.00    -0.487 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.711   0.400  -0.166  0.00  0.00    +0.264 C 
BRANCH  22  23
ATOM     23  C   LIG    1        5.173   0.743  -0.006  0.00  0.00    -0.010 A 
ATOM     24  C   LIG    1        6.024   0.773  -1.122  0.00  0.00    +0.010 A 
ATOM     25  C   LIG    1        7.378   1.074  -0.967  0.00  0.00    +0.039 A 
ATOM     26  C   LIG    1        7.882   1.336   0.301  0.00  0.00    +0.123 A 
ATOM     27  F   LIG    1        9.182   1.624   0.448  0.00  0.00    -0.205 F 
ATOM     28  C   LIG    1        7.059   1.297   1.421  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1        5.705   0.996   1.269  0.00  0.00    +0.010 A 
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 8