REMARK  Name = BDB003621
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.150  -0.965  -0.156  0.00  0.00    +0.120 A 
ATOM      2  C   LIG    1       -4.691   0.257   0.352  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1       -3.321   0.458   0.414  0.00  0.00    -0.030 A 
ATOM      4  C   LIG    1       -2.557   1.681   0.918  0.00  0.00    +0.080 C 
ATOM      5  C   LIG    1       -1.168   1.201   0.694  0.00  0.00    +0.023 A 
ATOM      6  C   LIG    1       -1.082  -0.058   0.160  0.00  0.00    +0.084 A 
ATOM      7  N   LIG    1        0.161  -0.555  -0.066  0.00  0.00    -0.224 NA
ATOM      8  C   LIG    1        1.022   0.379   0.308  0.00  0.00    +0.165 A 
ATOM      9  S   LIG    1        0.354   1.842   0.944  0.00  0.00    -0.056 S 
ATOM     10  C   LIG    1       -2.416  -0.547  -0.024  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1       -2.852  -1.752  -0.525  0.00  0.00    +0.014 A 
ATOM     12  C   LIG    1       -4.235  -1.952  -0.587  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   8  13
ATOM     13  N   LIG    1        2.372   0.161   0.207  0.00  0.00    -0.261 N 
ATOM     14  H   LIG    1        2.587  -0.743  -0.189  0.00  0.00    +0.157 HD
ATOM     15  C   LIG    1        3.382   1.050   0.487  0.00  0.00    +0.250 C 
ATOM     16  O   LIG    1        3.271   2.223   0.823  0.00  0.00    -0.270 OA
BRANCH  15  17
ATOM     17  C   LIG    1        4.757   0.500   0.309  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        5.767   1.360  -0.142  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        7.066   0.882  -0.322  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        7.364  -0.451  -0.043  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        6.367  -1.308   0.425  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        5.065  -0.835   0.606  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH   8  13
BRANCH   1  24
ATOM     23  C   LIG    1       -7.440  -0.380   0.125  0.00  0.00    +0.277 C 
ATOM     24  O   LIG    1       -6.465  -1.329  -0.288  0.00  0.00    -0.495 OA
ENDBRANCH   1  24
TORSDOF 3