REMARK  Name = BDB063002
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.773  -0.562   0.477  0.00  0.00    +0.035 A 
ATOM      2  C   LIG    1        0.089   0.592   0.893  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -1.272   0.737   0.576  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -1.978  -0.245  -0.120  0.00  0.00    +0.122 A 
ATOM      5  N   LIG    1       -3.314   0.054  -0.357  0.00  0.00    -0.221 NA
ATOM      6  C   LIG    1       -3.616   1.216   0.157  0.00  0.00    +0.157 A 
ATOM      7  C   LIG    1       -1.286  -1.418  -0.500  0.00  0.00    +0.145 A 
ATOM      8  S   LIG    1       -2.334   2.044   0.932  0.00  0.00    -0.052 S 
ATOM      9  C   LIG    1        0.073  -1.570  -0.192  0.00  0.00    +0.070 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        2.887   1.092  -0.910  0.00  0.00    +0.029 C 
ATOM     11  C   LIG    1        3.156   0.133   0.197  0.00  0.00    +0.088 C 
ATOM     12  N   LIG    1        2.139  -0.704   0.825  0.00  0.00    -0.324 N 
ATOM     13  C   LIG    1        3.091  -1.357  -0.064  0.00  0.00    +0.127 C 
ENDBRANCH   1  12
BRANCH   6  14
ATOM     14  N   LIG    1       -4.846   1.753   0.072  0.00  0.00    -0.337 N 
ATOM     15  H   LIG    1       -5.438   1.329  -0.635  0.00  0.00    +0.144 HD
ATOM     16  H   LIG    1       -4.914   2.762   0.108  0.00  0.00    +0.144 HD
ENDBRANCH   6  14
BRANCH   7  17
ATOM     17  O   LIG    1       -1.947  -2.420  -1.173  0.00  0.00    -0.505 OA
ATOM     18  H   LIG    1       -1.351  -3.176  -1.288  0.00  0.00    +0.292 HD
ENDBRANCH   7  17
TORSDOF 3