REMARK  Name = BDB007937
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.409   1.395  -0.345  0.00  0.00    -0.037 A 
ATOM      2  C   LIG    1        2.330   2.156  -1.078  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1        3.071   1.570  -2.107  0.00  0.00    +0.015 A 
ATOM      4  C   LIG    1        2.901   0.219  -2.416  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1        1.963  -0.536  -1.709  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.222   0.047  -0.679  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.615   2.021   0.776  0.00  0.00    +0.155 C 
BRANCH   7   9
ATOM      8  O   LIG    1       -0.975   2.961  -0.824  0.00  0.00    -0.250 OA
ATOM      9  C   LIG    1       -0.673   2.678   0.327  0.00  0.00    +0.312 C 
BRANCH   9  10
ATOM     10  O   LIG    1       -1.442   2.941   1.423  0.00  0.00    -0.460 OA
BRANCH  10  11
ATOM     11  C   LIG    1       -2.725   3.520   1.156  0.00  0.00    +0.267 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -3.761   2.429   1.074  0.00  0.00    -0.010 A 
ATOM     13  C   LIG    1       -4.325   1.894   2.238  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1       -5.268   0.866   2.161  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -5.656   0.349   0.916  0.00  0.00    +0.065 A 
ATOM     16  C   LIG    1       -5.085   0.873  -0.251  0.00  0.00    +0.028 A 
ATOM     17  C   LIG    1       -4.142   1.903  -0.168  0.00  0.00    +0.009 A 
BRANCH  15  18
ATOM     18  N   LIG    1       -6.617  -0.700   0.862  0.00  0.00    -0.240 N 
ATOM     19  N   LIG    1       -7.166  -1.206   2.000  0.00  0.00    -0.175 NA
ATOM     20  C   LIG    1       -8.006  -2.152   1.582  0.00  0.00    +0.135 A 
ATOM     21  C   LIG    1       -8.022  -2.279   0.188  0.00  0.00    +0.041 A 
ATOM     22  C   LIG    1       -7.123  -1.337  -0.253  0.00  0.00    +0.114 A 
ENDBRANCH  15  18
ENDBRANCH  11  12
ENDBRANCH  10  11
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  S   LIG    1        3.872  -0.548  -3.697  0.00  0.00    -0.120 S 
BRANCH  23  24
ATOM     24  C   LIG    1        5.447  -0.762  -2.791  0.00  0.00    +0.110 C 
BRANCH  24  25
ATOM     25  C   LIG    1        5.373  -1.846  -1.739  0.00  0.00    -0.023 A 
ATOM     26  C   LIG    1        5.272  -1.603  -0.354  0.00  0.00    +0.063 A 
ATOM     27  C   LIG    1        5.109  -2.674   0.542  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1        5.076  -3.989   0.081  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.201  -4.245  -1.280  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.343  -3.187  -2.179  0.00  0.00    +0.005 A 
BRANCH  26  31
ATOM     31  C   LIG    1        5.316  -0.262   0.273  0.00  0.00    +0.337 C 
ATOM     32  O   LIG    1        4.647   0.108   1.221  0.00  0.00    -0.245 OA
BRANCH  31  33
ATOM     33  O   LIG    1        6.299   0.504  -0.227  0.00  0.00    -0.477 OA
ATOM     34  H   LIG    1        6.258   1.315   0.321  0.00  0.00    +0.295 HD
ENDBRANCH  31  33
ENDBRANCH  26  31
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 11