REMARK  Name = BDB024056
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.890   1.780   1.977  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1       -1.695   0.603   1.063  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1       -2.754  -0.201   0.608  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1       -2.478  -1.406  -0.060  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1       -3.532  -2.430  -0.380  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1       -1.155  -1.691  -0.444  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1       -0.100  -0.845  -0.093  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1       -0.382   0.295   0.666  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1        1.288  -1.099  -0.501  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1        1.840  -2.321  -0.541  0.00  0.00    +0.052 C 
BRANCH  10  11
ATOM     11  C   LIG    1        3.239  -2.602  -0.988  0.00  0.00    +0.193 C 
ATOM     12  O   LIG    1        3.419  -3.679  -1.559  0.00  0.00    -0.287 OA
BRANCH  11  13
ATOM     13  C   LIG    1        4.299  -1.640  -0.720  0.00  0.00    +0.060 A 
ATOM     14  S   LIG    1        5.652  -1.586  -1.762  0.00  0.00    -0.085 S 
ATOM     15  C   LIG    1        6.400  -0.315  -0.876  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1        5.630   0.055   0.228  0.00  0.00    -0.010 A 
ATOM     17  C   LIG    1        6.117   1.084   1.070  0.00  0.00    +0.009 A 
ATOM     18  C   LIG    1        7.335   1.711   0.789  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        8.081   1.328  -0.318  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        7.627   0.313  -1.163  0.00  0.00    +0.015 A 
ATOM     21  C   LIG    1        4.429  -0.727   0.308  0.00  0.00    +0.028 A 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   7   9
BRANCH   3  22
ATOM     22  O   LIG    1       -4.042   0.104   0.961  0.00  0.00    -0.475 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.816   0.925   0.038  0.00  0.00    +0.200 C 
ATOM     24  C   LIG    1       -4.244   2.329  -0.177  0.00  0.00    +0.067 C 
ATOM     25  C   LIG    1       -5.098   0.244  -1.304  0.00  0.00    +0.067 C 
BRANCH  23  26
ATOM     26  C   LIG    1       -6.178   1.101   0.744  0.00  0.00    +0.348 C 
ATOM     27  O   LIG    1       -7.117   1.744   0.295  0.00  0.00    -0.247 OA
BRANCH  26  28
ATOM     28  O   LIG    1       -6.254   0.464   1.940  0.00  0.00    -0.478 OA
ATOM     29  H   LIG    1       -5.400   0.009   2.117  0.00  0.00    +0.295 HD
ENDBRANCH  26  28
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7