REMARK  Name = BDB046936
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.117  -0.747   0.147  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1       -2.389  -0.149   0.167  0.00  0.00    +0.098 A 
ATOM      3  C   LIG    1       -3.138  -0.092  -1.018  0.00  0.00    +0.020 A 
ATOM      4  C   LIG    1       -2.620  -0.637  -2.185  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1       -1.370  -1.218  -2.123  0.00  0.00    +0.113 A 
ATOM      6  N   LIG    1       -0.626  -1.287  -0.997  0.00  0.00    -0.240 NA
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -0.388  -0.930   1.331  0.00  0.00    -0.324 N 
ATOM      8  H   LIG    1       -0.542  -0.139   1.964  0.00  0.00    +0.148 HD
BRANCH   7   9
ATOM      9  C   LIG    1        1.039  -1.205   1.193  0.00  0.00    +0.145 C 
BRANCH   9  12
ATOM     10  C   LIG    1        2.559  -0.258  -1.484  0.00  0.00    +0.044 C 
ATOM     11  C   LIG    1        2.567   0.441  -0.163  0.00  0.00    -0.039 A 
ATOM     12  C   LIG    1        1.901   0.018   0.980  0.00  0.00    +0.010 A 
ATOM     13  S   LIG    1        2.140   1.096   2.297  0.00  0.00    -0.100 S 
ATOM     14  C   LIG    1        3.122   2.128   1.362  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        3.269   1.669   0.074  0.00  0.00    +0.011 A 
ENDBRANCH   9  12
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   2  16
ATOM     16  C   LIG    1       -2.913   0.462   1.409  0.00  0.00    +0.340 C 
ATOM     17  O   LIG    1       -2.264   0.785   2.387  0.00  0.00    -0.245 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -4.246   0.654   1.371  0.00  0.00    -0.477 OA
ATOM     19  H   LIG    1       -4.452   1.041   2.249  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   2  16
TORSDOF 5