REMARK  Name = BDB059178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.358   0.418   1.429  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1       -0.372   0.904   0.668  0.00  0.00    -0.220 NA
ATOM      3  C   LIG    1        0.496   0.021   0.114  0.00  0.00    +0.094 A 
ATOM      4  C   LIG    1        0.404  -1.343   0.338  0.00  0.00    +0.110 A 
ATOM      5  C   LIG    1       -0.657  -1.745   1.132  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1       -1.532  -0.880   1.691  0.00  0.00    -0.214 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.531   0.662  -0.718  0.00  0.00    +0.005 A 
ATOM      8  C   LIG    1        2.334   1.689  -0.181  0.00  0.00    +0.055 A 
ATOM      9  C   LIG    1        3.316   2.317  -0.951  0.00  0.00    +0.121 A 
ATOM     10  C   LIG    1        3.500   1.922  -2.276  0.00  0.00    +0.045 A 
ATOM     11  C   LIG    1        2.708   0.920  -2.833  0.00  0.00    +0.004 A 
ATOM     12  C   LIG    1        1.726   0.299  -2.061  0.00  0.00    +0.010 A 
BRANCH   9  13
ATOM     13  O   LIG    1        4.151   3.316  -0.533  0.00  0.00    -0.495 OA
ATOM     14  C   LIG    1        3.986   3.780   0.801  0.00  0.00    +0.277 C 
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   4  15
ATOM     15  C   LIG    1        1.358  -2.269  -0.178  0.00  0.00    +0.104 C 
ATOM     16  N   LIG    1        2.137  -3.030  -0.579  0.00  0.00    -0.191 NA
ENDBRANCH   4  15
BRANCH   1  17
ATOM     17  S   LIG    1       -2.498   1.541   2.186  0.00  0.00    -0.073 S 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.236   2.995   1.129  0.00  0.00    +0.165 C 
BRANCH  18  20
ATOM     19  C   LIG    1       -3.907   4.975   1.783  0.00  0.00    +0.004 C 
ATOM     20  C   LIG    1       -3.157   4.083   1.492  0.00  0.00    -0.094 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   1  17
BRANCH   5  21
ATOM     21  S   LIG    1       -0.988  -3.459   1.526  0.00  0.00    -0.027 S 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.877  -3.859   0.100  0.00  0.00    +0.215 A 
ATOM     23  N   LIG    1       -2.726  -4.922   0.007  0.00  0.00    -0.223 N 
ATOM     24  C   LIG    1       -3.092  -5.898   0.994  0.00  0.00    +0.177 C 
ATOM     25  N   LIG    1       -3.248  -4.968  -1.231  0.00  0.00    -0.043 NA
ATOM     26  N   LIG    1       -2.710  -3.940  -1.875  0.00  0.00    -0.022 NA
ATOM     27  N   LIG    1       -1.851  -3.241  -1.060  0.00  0.00    -0.101 NA
ENDBRANCH  21  22
ENDBRANCH   5  21
TORSDOF 8