REMARK  Name = BDB008926
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.471   0.658  -2.370  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.115   0.757  -2.040  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        0.737  -0.345  -2.214  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1        0.213  -1.520  -2.775  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.135  -1.604  -3.134  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.979  -0.513  -2.937  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1       -2.860   0.488   0.755  0.00  0.00    +0.028 C 
ATOM      8  C   LIG    1       -2.131   1.774   0.368  0.00  0.00    +0.073 C 
ATOM      9  N   LIG    1       -2.594   2.304  -0.918  0.00  0.00    -0.295 N 
ATOM     10  C   LIG    1       -2.378   1.810  -2.193  0.00  0.00    +0.247 C 
ATOM     11  O   LIG    1       -2.912   2.279  -3.196  0.00  0.00    -0.270 OA
ATOM     12  C   LIG    1       -3.427   3.482  -0.738  0.00  0.00    +0.108 C 
ATOM     13  C   LIG    1       -3.673   3.569   0.760  0.00  0.00    +0.021 C 
ATOM     14  C   LIG    1       -2.431   2.913   1.349  0.00  0.00    +0.024 C 
ENDBRANCH   1  10
BRANCH   3  15
ATOM     15  C   LIG    1        2.202  -0.237  -1.857  0.00  0.00    +0.092 C 
BRANCH  15  16
ATOM     16  C   LIG    1        2.715  -1.398  -1.008  0.00  0.00    +0.069 A 
ATOM     17  C   LIG    1        2.490  -1.388   0.472  0.00  0.00    -0.016 A 
ATOM     18  C   LIG    1        1.743  -0.265   1.133  0.00  0.00    +0.037 C 
ATOM     19  C   LIG    1        1.343  -0.565   2.581  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        2.480  -1.237   3.340  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1        2.892  -2.545   2.662  0.00  0.00    +0.041 C 
ATOM     22  C   LIG    1        2.991  -2.425   1.167  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        3.694  -3.524   0.460  0.00  0.00    +0.268 A 
ATOM     24  O   LIG    1        4.145  -4.494   1.060  0.00  0.00    -0.266 OA
ATOM     25  N   LIG    1        3.805  -3.389  -0.897  0.00  0.00    -0.243 N 
ATOM     26  H   LIG    1        4.286  -4.128  -1.399  0.00  0.00    +0.192 HD
ATOM     27  N   LIG    1        3.337  -2.350  -1.639  0.00  0.00    -0.175 NA
ENDBRANCH  15  16
ENDBRANCH   3  15
TORSDOF 3