REMARK  Name = BDB062912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.700   1.139  -0.531  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.574   0.812  -0.091  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.306  -0.440   0.009  0.00  0.00    -0.006 A 
ATOM      4  C   LIG    1        2.572  -0.188   0.566  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.670   1.262   0.826  0.00  0.00    +0.194 C 
ATOM      6  O   LIG    1        3.611   1.853   1.311  0.00  0.00    -0.287 OA
ATOM      7  C   LIG    1        3.518  -1.169   0.800  0.00  0.00    +0.012 A 
ATOM      8  C   LIG    1        3.175  -2.473   0.449  0.00  0.00    +0.001 A 
ATOM      9  C   LIG    1        1.919  -2.754  -0.119  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        0.978  -1.738  -0.345  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        1.389   1.853   0.388  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        1.006   3.183   0.428  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1       -0.269   3.496  -0.041  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -1.118   2.483  -0.520  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1  17
ATOM     15  C   LIG    1       -3.368  -1.545  -0.602  0.00  0.00    +0.132 C 
ATOM     16  N   LIG    1       -2.511  -0.473  -0.125  0.00  0.00    -0.304 N 
ATOM     17  C   LIG    1       -1.638   0.125  -1.031  0.00  0.00    +0.247 C 
ATOM     18  O   LIG    1       -1.595  -0.135  -2.230  0.00  0.00    -0.270 OA
ATOM     19  C   LIG    1       -2.454  -0.293   1.320  0.00  0.00    +0.132 C 
ENDBRANCH   1  17
TORSDOF 1