REMARK  Name = BDB015736
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.693  -1.685   0.026  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1       -1.223  -0.463  -0.129  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.415   0.479  -0.646  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1        0.896   0.214  -0.987  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.358  -1.063  -0.748  0.00  0.00    +0.126 A 
ATOM      6  N   LIG    1        0.577  -2.022  -0.242  0.00  0.00    -0.180 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -1.045   1.806  -0.864  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -0.353   2.939  -0.631  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.910   4.198  -0.810  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -0.088   5.367  -0.537  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -2.227   4.380  -1.226  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -2.769   5.467  -1.403  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.004   3.137  -1.460  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.434   1.940  -1.281  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1        2.662  -1.452  -1.054  0.00  0.00    -0.326 N 
ATOM     16  H   LIG    1        2.710  -2.438  -0.790  0.00  0.00    +0.148 HD
BRANCH  15  17
ATOM     17  C   LIG    1        3.734  -0.669  -0.452  0.00  0.00    +0.072 C 
ATOM     18  C   LIG    1        5.092  -1.183  -0.924  0.00  0.00    +0.022 C 
ATOM     19  C   LIG    1        6.061  -0.607   0.098  0.00  0.00    +0.002 C 
ATOM     20  C   LIG    1        5.284  -0.555   1.413  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1        3.826  -0.848   1.063  0.00  0.00    +0.022 C 
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  22
ATOM     22  O   LIG    1       -1.461  -2.701   0.582  0.00  0.00    -0.420 OA
BRANCH  22  25
ATOM     23  C   LIG    1       -2.801  -2.358   3.071  0.00  0.00    +0.047 C 
ATOM     24  C   LIG    1       -3.523  -2.370   1.755  0.00  0.00    -0.005 A 
ATOM     25  C   LIG    1       -2.823  -2.514   0.548  0.00  0.00    +0.170 A 
ATOM     26  C   LIG    1       -3.512  -2.539  -0.667  0.00  0.00    +0.166 A 
ATOM     27  F   LIG    1       -2.850  -2.721  -1.819  0.00  0.00    -0.202 F 
ATOM     28  C   LIG    1       -4.893  -2.383  -0.704  0.00  0.00    +0.042 A 
ATOM     29  C   LIG    1       -5.597  -2.212   0.487  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -4.917  -2.207   1.709  0.00  0.00    +0.007 A 
ENDBRANCH  22  25
ENDBRANCH   1  22
TORSDOF 5