REMARK  Name = BDB062153
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.216  -0.292  -1.929  0.00  0.00    +0.097 A 
ATOM      2  C   LIG    1       -2.531  -0.455  -1.509  0.00  0.00    +0.077 A 
ATOM      3  N   LIG    1       -3.229  -0.617  -2.689  0.00  0.00    -0.333 N 
ATOM      4  C   LIG    1       -4.633  -0.912  -2.838  0.00  0.00    +0.150 C 
ATOM      5  C   LIG    1       -2.348  -0.492  -3.726  0.00  0.00    +0.200 A 
ATOM      6  N   LIG    1       -1.123  -0.302  -3.300  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1       -3.124  -0.537  -0.170  0.00  0.00    +0.008 A 
ATOM      8  C   LIG    1       -3.972   0.479   0.356  0.00  0.00    -0.007 A 
ATOM      9  C   LIG    1       -4.536   0.312   1.651  0.00  0.00    +0.000 A 
ATOM     10  C   LIG    1       -5.386   1.329   2.155  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -5.673   2.481   1.423  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.113   2.653   0.170  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -4.222  -0.858   2.390  0.00  0.00    +0.059 A 
ATOM     14  C   LIG    1       -3.374  -1.836   1.861  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -4.275   1.669  -0.353  0.00  0.00    +0.009 A 
ATOM     16  C   LIG    1       -2.832  -1.676   0.592  0.00  0.00    +0.012 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -4.756  -1.084   3.706  0.00  0.00    +0.100 C 
ATOM     18  N   LIG    1       -5.188  -1.273   4.767  0.00  0.00    -0.191 NA
ENDBRANCH  13  17
ENDBRANCH   2   7
BRANCH   1  21
ATOM     19  C   LIG    1        0.593  -2.572  -1.679  0.00  0.00    +0.044 C 
ATOM     20  C   LIG    1        0.809  -1.292  -0.914  0.00  0.00    -0.041 A 
ATOM     21  C   LIG    1       -0.051  -0.179  -1.064  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.236   1.025  -0.384  0.00  0.00    -0.041 A 
ATOM     23  C   LIG    1       -0.612   2.260  -0.519  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1        1.342   1.078   0.484  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        2.189  -0.023   0.654  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        1.916  -1.199  -0.055  0.00  0.00    +0.009 A 
BRANCH  25  27
ATOM     27  C   LIG    1        3.378   0.054   1.588  0.00  0.00    +0.119 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.662  -0.211   0.923  0.00  0.00    -0.296 NA
ATOM     29  C   LIG    1        5.754  -0.317   1.907  0.00  0.00    +0.100 C 
ATOM     30  C   LIG    1        7.112  -0.669   1.245  0.00  0.00    +0.096 C 
ATOM     31  N   LIG    1        7.157  -0.455  -0.215  0.00  0.00    -0.314 NA
ATOM     32  H   LIG    1        6.568  -1.187  -0.622  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        6.477   0.815  -0.526  0.00  0.00    +0.096 C 
ATOM     34  C   LIG    1        4.992   0.830  -0.078  0.00  0.00    +0.100 C 
ENDBRANCH  27  28
ENDBRANCH  25  27
ENDBRANCH   1  21
TORSDOF 5