REMARK  Name = BDB057860
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.942  -0.392  -0.743  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -1.646  -0.242  -0.401  0.00  0.00    -0.213 NA
ATOM      3  C   LIG    1       -0.842  -1.298  -0.579  0.00  0.00    +0.123 A 
ATOM      4  C   LIG    1       -1.301  -2.496  -1.085  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -2.632  -2.547  -1.419  0.00  0.00    +0.116 A 
ATOM      6  N   LIG    1       -3.472  -1.511  -1.270  0.00  0.00    -0.236 NA
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.080   0.751   0.060  0.00  0.00    -0.034 A 
ATOM      8  C   LIG    1       -3.818   0.783  -0.592  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -3.380   2.011  -1.138  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -4.162   3.165  -1.082  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -5.409   3.119  -0.476  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -5.863   1.927   0.087  0.00  0.00    +0.004 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.096  -0.257   2.171  0.00  0.00    +0.012 C 
ATOM     14  C   LIG    1       -5.615  -0.510   0.736  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1       -6.729  -1.144  -0.100  0.00  0.00    +0.012 C 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  16
ATOM     16  N   LIG    1        0.487  -1.120  -0.189  0.00  0.00    -0.325 N 
ATOM     17  H   LIG    1        0.527  -0.162   0.160  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.451  -1.311  -1.266  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.814  -0.854  -0.802  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.418   0.281  -1.355  0.00  0.00    +0.006 A 
ATOM     21  C   LIG    1        4.680   0.699  -0.918  0.00  0.00    +0.009 A 
ATOM     22  C   LIG    1        5.370   0.000   0.086  0.00  0.00    -0.016 A 
ATOM     23  C   LIG    1        4.752  -1.132   0.641  0.00  0.00    +0.009 A 
ATOM     24  C   LIG    1        3.492  -1.554   0.204  0.00  0.00    +0.006 A 
BRANCH  22  25
ATOM     25  C   LIG    1        6.694   0.443   0.546  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        7.741   0.688  -0.344  0.00  0.00    +0.119 A 
ATOM     27  N   LIG    1        8.983   1.101   0.012  0.00  0.00    -0.263 NA
ATOM     28  C   LIG    1        9.203   1.281   1.330  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        8.243   1.068   2.304  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1        6.977   0.644   1.903  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   3  16
TORSDOF 6