REMARK  Name = BDB014354
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.812  -2.108  -0.634  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1       -2.001  -2.694  -1.072  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -3.181  -2.559  -0.336  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1       -3.188  -1.828   0.856  0.00  0.00    -0.046 A 
ATOM      5  C   LIG    1       -1.993  -1.246   1.297  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1       -0.812  -1.387   0.559  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1        0.257  -2.311  -1.461  0.00  0.00    -0.492 OA
BRANCH   7   8
ATOM      8  C   LIG    1        1.510  -1.704  -1.125  0.00  0.00    +0.235 C 
BRANCH   8   9
ATOM      9  C   LIG    1        1.558  -0.255  -1.612  0.00  0.00    +0.096 C 
BRANCH   9  13
ATOM     10  C   LIG    1        5.291   1.670  -0.859  0.00  0.00    -0.030 A 
ATOM     11  C   LIG    1        4.745   0.702  -0.023  0.00  0.00    +0.114 A 
ATOM     12  N   LIG    1        3.569   0.074  -0.252  0.00  0.00    -0.260 NA
ATOM     13  C   LIG    1        2.890   0.406  -1.376  0.00  0.00    +0.045 A 
ATOM     14  C   LIG    1        3.349   1.381  -2.258  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        4.562   2.015  -1.996  0.00  0.00    +0.007 A 
BRANCH  10  17
ATOM     16  C   LIG    1        6.426   3.468   0.468  0.00  0.00    +0.009 C 
ATOM     17  C   LIG    1        6.597   2.336  -0.532  0.00  0.00    +0.033 C 
ENDBRANCH  10  17
ENDBRANCH   9  13
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1       -4.463  -1.647   1.645  0.00  0.00    +0.059 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -5.137  -0.295   1.397  0.00  0.00    +0.146 C 
ATOM     20  C   LIG    1       -6.238  -0.055   2.410  0.00  0.00    +0.234 C 
ATOM     21  O   LIG    1       -6.101  -0.129   3.624  0.00  0.00    -0.274 OA
ATOM     22  N   LIG    1       -7.418   0.279   1.819  0.00  0.00    -0.246 N 
ATOM     23  H   LIG    1       -8.237   0.475   2.372  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -7.503   0.255   0.470  0.00  0.00    +0.279 C 
ATOM     25  O   LIG    1       -8.505   0.493  -0.180  0.00  0.00    -0.263 OA
ATOM     26  S   LIG    1       -5.968  -0.186  -0.229  0.00  0.00    -0.054 S 
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 7