REMARK  Name = BDB003574
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.849   0.451   0.099  0.00  0.00    -0.013 A 
ATOM      2  C   LIG    1        2.667   0.100  -1.250  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1        1.398  -0.242  -1.744  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1        0.292  -0.204  -0.893  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1        0.460   0.132   0.456  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        1.726   0.462   0.942  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        4.836   0.066   1.620  0.00  0.00    +0.128 A 
ATOM      8  C   LIG    1        4.186   0.811   0.610  0.00  0.00    +0.024 A 
ATOM      9  C   LIG    1        4.843   1.936   0.074  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.106   2.318   0.527  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        6.733   1.581   1.524  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        6.103   0.461   2.069  0.00  0.00    +0.046 A 
BRANCH   7  14
ATOM     13  C   LIG    1        4.815  -1.846   3.057  0.00  0.00    +0.277 C 
ATOM     14  O   LIG    1        4.159  -1.031   2.095  0.00  0.00    -0.495 OA
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1        1.230  -0.604  -3.473  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1        0.002   0.004  -3.944  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        2.488  -0.231  -4.099  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1        1.109  -2.369  -3.582  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1       -1.057  -0.604  -1.326  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1       -2.030   0.380  -1.470  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1       -1.742   1.807  -1.382  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1       -1.241  -1.807  -1.484  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -3.396  -0.027  -1.797  0.00  0.00    +0.111 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.357  -0.173  -0.599  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -3.869  -1.188   0.445  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -4.886  -1.365   1.572  0.00  0.00    +0.000 C 
ATOM     27  C   LIG    1       -5.248  -0.033   2.221  0.00  0.00    +0.000 C 
ATOM     28  C   LIG    1       -5.721   0.987   1.189  0.00  0.00    +0.000 C 
ATOM     29  C   LIG    1       -4.697   1.167   0.070  0.00  0.00    +0.005 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6