REMARK  Name = BDB062902
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.116   0.066   0.148  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1        0.225  -0.326  -0.012  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1        1.256   0.595  -0.206  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1        2.465  -0.145  -0.328  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        2.154  -1.480  -0.208  0.00  0.00    +0.083 A 
ATOM      6  C   LIG    1        0.945   1.968  -0.243  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -0.384   2.379  -0.086  0.00  0.00    +0.001 A 
ATOM      8  N   LIG    1        0.803  -1.577  -0.018  0.00  0.00    -0.360 N 
ATOM      9  H   LIG    1        0.275  -2.433   0.104  0.00  0.00    +0.165 HD
ATOM     10  C   LIG    1       -1.397   1.442   0.107  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1  12
ATOM     11  O   LIG    1       -3.400  -0.592   0.498  0.00  0.00    -0.245 OA
ATOM     12  C   LIG    1       -2.227  -0.887   0.355  0.00  0.00    +0.339 C 
BRANCH  12  13
ATOM     13  O   LIG    1       -1.834  -2.176   0.376  0.00  0.00    -0.477 OA
ATOM     14  H   LIG    1       -2.679  -2.656   0.519  0.00  0.00    +0.295 HD
ENDBRANCH  12  13
ENDBRANCH   1  12
TORSDOF 2