REMARK  Name = BDB060904
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.681   0.462  -0.442  0.00  0.00    +0.175 A 
ATOM      2  C   LIG    1       -0.209   0.486   0.648  0.00  0.00    +0.163 A 
ATOM      3  C   LIG    1       -1.527   0.060   0.458  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -1.968  -0.361  -0.806  0.00  0.00    +0.041 A 
ATOM      5  C   LIG    1       -1.094  -0.333  -1.897  0.00  0.00    +0.031 A 
ATOM      6  C   LIG    1        0.228   0.082  -1.713  0.00  0.00    +0.059 A 
ATOM      7  I   LIG    1        1.480   0.111  -3.395  0.00  0.00    -0.040 I 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -3.383  -0.798  -0.941  0.00  0.00    +0.242 C 
ATOM      9  O   LIG    1       -4.231  -0.482  -0.116  0.00  0.00    -0.270 OA
ATOM     10  N   LIG    1       -3.703  -1.601  -2.000  0.00  0.00    -0.325 N 
ATOM     11  H   LIG    1       -3.010  -2.099  -2.539  0.00  0.00    +0.145 HD
ATOM     12  H   LIG    1       -4.644  -1.975  -2.001  0.00  0.00    +0.145 HD
ENDBRANCH   4   8
BRANCH   2  13
ATOM     13  O   LIG    1        0.294   0.933   1.842  0.00  0.00    -0.491 OA
ATOM     14  C   LIG    1       -0.632   1.184   2.891  0.00  0.00    +0.277 C 
ENDBRANCH   2  13
BRANCH   1  15
ATOM     15  O   LIG    1        1.977   0.897  -0.293  0.00  0.00    -0.488 OA
BRANCH  15  17
ATOM     16  C   LIG    1        4.236   0.291   0.182  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1        2.778  -0.083   0.379  0.00  0.00    +0.226 C 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4