REMARK  Name = BDB008836
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.710  -0.551  -1.563  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1        0.871   0.486  -1.144  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -0.118   1.009  -1.998  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -0.227   0.501  -3.300  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1        0.608  -0.527  -3.728  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        1.569  -1.052  -2.863  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.408  -0.065   1.278  0.00  0.00    -0.275 OA
ATOM      8  C   LIG    1        3.019  -0.860   0.563  0.00  0.00    +0.223 C 
ATOM      9  N   LIG    1        2.715  -1.135  -0.762  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1        3.267  -1.855  -1.208  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        4.210  -1.694   1.081  0.00  0.00    +0.103 C 
ATOM     12  C   LIG    1        4.939  -1.203   2.351  0.00  0.00    +0.095 C 
ATOM     13  N   LIG    1        6.219  -1.644   1.743  0.00  0.00    -0.314 NA
ATOM     14  H   LIG    1        6.464  -2.606   1.980  0.00  0.00    +0.122 HD
ATOM     15  C   LIG    1        5.587  -1.497   0.413  0.00  0.00    +0.095 C 
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  16
ATOM     16  C   LIG    1       -1.015   2.148  -1.564  0.00  0.00    +0.092 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -1.537   2.038  -0.135  0.00  0.00    +0.069 A 
ATOM     18  C   LIG    1       -2.668   1.106   0.172  0.00  0.00    -0.016 A 
ATOM     19  C   LIG    1       -3.293   0.267  -0.906  0.00  0.00    +0.037 C 
ATOM     20  C   LIG    1       -4.221  -0.827  -0.368  0.00  0.00    +0.005 C 
ATOM     21  C   LIG    1       -5.099  -0.302   0.761  0.00  0.00    +0.005 C 
ATOM     22  C   LIG    1       -4.246   0.229   1.914  0.00  0.00    +0.041 C 
ATOM     23  C   LIG    1       -3.092   1.072   1.448  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -2.423   1.905   2.479  0.00  0.00    +0.268 A 
ATOM     25  O   LIG    1       -2.768   1.876   3.656  0.00  0.00    -0.266 OA
ATOM     26  N   LIG    1       -1.410   2.709   2.033  0.00  0.00    -0.243 N 
ATOM     27  H   LIG    1       -0.926   3.274   2.722  0.00  0.00    +0.192 HD
ATOM     28  N   LIG    1       -0.960   2.793   0.753  0.00  0.00    -0.175 NA
ENDBRANCH  16  17
ENDBRANCH   3  16
TORSDOF 4