REMARK  Name = BDB001188
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.413   1.256   0.615  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.921   1.189  -0.681  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1        2.304   1.193  -0.897  0.00  0.00    +0.007 A 
ATOM      4  C   LIG    1        3.198   1.269   0.179  0.00  0.00    -0.042 A 
ATOM      5  C   LIG    1        2.683   1.329   1.479  0.00  0.00    +0.007 A 
ATOM      6  C   LIG    1        1.303   1.324   1.690  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   1   7
ATOM      7  O   LIG    1       -0.904   1.255   0.976  0.00  0.00    -0.490 OA
BRANCH   7   8
ATOM      8  C   LIG    1       -1.908   1.202  -0.043  0.00  0.00    +0.248 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -2.187  -0.237  -0.516  0.00  0.00    +0.147 C 
BRANCH   9  11
ATOM     10  C   LIG    1       -2.396  -1.355   1.694  0.00  0.00    +0.131 C 
ATOM     11  N   LIG    1       -3.022  -1.029   0.411  0.00  0.00    -0.315 N 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.365  -0.636   0.522  0.00  0.00    +0.121 A 
ATOM     13  N   LIG    1       -4.888  -0.390   1.744  0.00  0.00    -0.240 NA
ATOM     14  C   LIG    1       -6.184  -0.015   1.834  0.00  0.00    +0.113 A 
ATOM     15  C   LIG    1       -7.023   0.125   0.747  0.00  0.00    +0.020 A 
ATOM     16  C   LIG    1       -6.500  -0.144  -0.506  0.00  0.00    +0.005 A 
ATOM     17  C   LIG    1       -5.165  -0.531  -0.618  0.00  0.00    +0.043 A 
ENDBRANCH  11  12
ENDBRANCH   9  11
ENDBRANCH   8   9
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  18
ATOM     18  C   LIG    1        4.690   1.254  -0.063  0.00  0.00    +0.083 C 
BRANCH  18  19
ATOM     19  C   LIG    1        5.249  -0.123  -0.223  0.00  0.00    +0.058 A 
ATOM     20  C   LIG    1        5.616  -0.727  -1.361  0.00  0.00    +0.204 A 
ATOM     21  N   LIG    1        6.123  -1.978  -1.205  0.00  0.00    -0.287 N 
ATOM     22  H   LIG    1        6.443  -2.581  -1.946  0.00  0.00    +0.172 HD
ATOM     23  C   LIG    1        6.193  -2.434   0.090  0.00  0.00    +0.291 A 
ATOM     24  O   LIG    1        6.614  -3.518   0.456  0.00  0.00    -0.260 OA
ATOM     25  S   LIG    1        5.573  -1.166   1.150  0.00  0.00    -0.028 S 
BRANCH  20  26
ATOM     26  O   LIG    1        5.522  -0.200  -2.609  0.00  0.00    -0.493 OA
ATOM     27  H   LIG    1        5.859  -0.864  -3.231  0.00  0.00    +0.294 HD
ENDBRANCH  20  26
ENDBRANCH  18  19
ENDBRANCH   4  18
TORSDOF 8