REMARK  Name = BDB065042
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.219  -1.845   0.112  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.179  -0.851  -0.123  0.00  0.00    +0.030 A 
ATOM      3  C   LIG    1       -2.540  -1.167  -0.332  0.00  0.00    -0.002 A 
ATOM      4  C   LIG    1       -2.910  -2.520  -0.301  0.00  0.00    +0.007 A 
ATOM      5  C   LIG    1       -1.959  -3.514  -0.069  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.620  -3.179   0.137  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.572  -0.044  -0.604  0.00  0.00    +0.144 C 
ATOM      8  O   LIG    1       -4.891  -0.635  -0.609  0.00  0.00    -0.439 OA
ATOM      9  C   LIG    1       -5.880  -0.276  -1.457  0.00  0.00    +0.401 C 
ATOM     10  O   LIG    1       -7.009  -0.744  -1.370  0.00  0.00    -0.226 OA
ATOM     11  N   LIG    1       -5.579   0.613  -2.442  0.00  0.00    -0.281 N 
ATOM     12  H   LIG    1       -6.381   0.886  -2.997  0.00  0.00    +0.152 HD
ATOM     13  C   LIG    1       -4.358   1.351  -2.535  0.00  0.00    +0.112 C 
ATOM     14  C   LIG    1       -3.213   0.556  -1.969  0.00  0.00    +0.072 C 
BRANCH   7  15
ATOM     15  C   LIG    1       -3.527   0.893   0.605  0.00  0.00    +0.038 C 
ATOM     16  C   LIG    1       -4.484   2.049   0.801  0.00  0.00    +0.008 C 
ATOM     17  C   LIG    1       -3.024   2.320   0.569  0.00  0.00    +0.008 C 
ENDBRANCH   7  15
ENDBRANCH   3   7
BRANCH   1  19
ATOM     18  C   LIG    1        2.227  -2.195   0.556  0.00  0.00    +0.267 C 
ATOM     19  N   LIG    1        1.106  -1.422   0.313  0.00  0.00    -0.280 N 
ATOM     20  H   LIG    1        1.292  -0.423   0.285  0.00  0.00    +0.155 HD
ATOM     21  O   LIG    1        2.287  -3.415   0.637  0.00  0.00    -0.268 OA
BRANCH  18  27
ATOM     22  C   LIG    1        7.112  -1.719   1.401  0.00  0.00    +0.066 C 
ATOM     23  C   LIG    1        5.749  -1.161   1.122  0.00  0.00    +0.042 A 
ATOM     24  N   LIG    1        5.636   0.181   1.020  0.00  0.00    -0.237 NA
ATOM     25  C   LIG    1        4.420   0.712   0.773  0.00  0.00    +0.133 A 
ATOM     26  N   LIG    1        3.313  -0.033   0.615  0.00  0.00    -0.227 NA
ATOM     27  C   LIG    1        3.471  -1.375   0.727  0.00  0.00    +0.129 A 
ATOM     28  C   LIG    1        4.670  -1.998   0.981  0.00  0.00    +0.056 A 
BRANCH  25  29
ATOM     29  C   LIG    1        4.302   2.211   0.659  0.00  0.00    +0.057 C 
ATOM     30  C   LIG    1        3.269   2.961   1.471  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1        4.723   3.094   1.813  0.00  0.00    +0.012 C 
ENDBRANCH  25  29
ENDBRANCH  18  27
ENDBRANCH   1  19
TORSDOF 5