REMARK  Name = BDB015961
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.669   2.136   0.408  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1        0.753   1.163   0.241  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -0.554   1.498   0.266  0.00  0.00    +0.130 A 
ATOM      4  C   LIG    1       -0.965   2.814   0.483  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1        0.057   3.733   0.642  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        1.369   3.431   0.602  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.838   0.023   0.124  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        3.488   0.410   0.167  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.095   1.751   0.369  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        4.120   2.701   0.531  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        5.467   2.335   0.493  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        5.823   1.002   0.291  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        7.238  -4.117  -1.212  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        6.264  -3.192  -0.686  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        5.133  -3.665  -0.135  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        4.480  -2.558   0.233  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.187  -1.373  -0.081  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.344  -1.829  -0.681  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -2.354   3.229   0.557  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -2.862   4.397   0.022  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.197   4.398   0.305  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.162   5.410  -0.050  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -4.600   3.312   0.986  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -3.479   2.604   1.146  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -1.510   0.474   0.100  0.00  0.00    -0.328 N 
ATOM     26  H   LIG    1       -2.194   0.775  -0.591  0.00  0.00    +0.147 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -0.970  -0.853  -0.183  0.00  0.00    +0.106 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -2.084  -1.913  -0.265  0.00  0.00    +0.009 C 
ATOM     29  C   LIG    1       -2.952  -1.966   0.997  0.00  0.00    +0.036 C 
ATOM     30  C   LIG    1       -3.895  -3.174   0.979  0.00  0.00    +0.115 C 
ATOM     31  C   LIG    1       -4.351  -3.574  -0.430  0.00  0.00    +0.031 C 
ATOM     32  C   LIG    1       -4.351  -2.381  -1.381  0.00  0.00    +0.003 C 
ATOM     33  C   LIG    1       -2.957  -1.762  -1.528  0.00  0.00    +0.005 C 
BRANCH  30  34
ATOM     34  O   LIG    1       -5.029  -2.856   1.783  0.00  0.00    -0.392 OA
ATOM     35  H   LIG    1       -5.591  -3.648   1.828  0.00  0.00    +0.210 HD
ENDBRANCH  30  34
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 7