REMARK  Name = BDB057837
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.687  -2.564   2.912  0.00  0.00    +0.049 C 
ATOM      2  C   LIG    1       -1.438  -2.227   1.665  0.00  0.00    +0.007 A 
ATOM      3  C   LIG    1       -0.961  -1.346   0.703  0.00  0.00    +0.126 A 
ATOM      4  N   LIG    1       -1.678  -1.042  -0.392  0.00  0.00    -0.213 NA
ATOM      5  C   LIG    1       -2.882  -1.629  -0.542  0.00  0.00    +0.162 A 
ATOM      6  N   LIG    1       -3.406  -2.521   0.314  0.00  0.00    -0.235 NA
ATOM      7  C   LIG    1       -2.672  -2.791   1.404  0.00  0.00    +0.120 A 
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -3.639  -1.306  -1.765  0.00  0.00    +0.023 A 
ATOM      9  C   LIG    1       -5.034  -1.035  -1.752  0.00  0.00    -0.034 A 
ATOM     10  C   LIG    1       -5.673  -0.793  -2.988  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -4.974  -0.776  -4.195  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -3.607  -1.006  -4.200  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -2.949  -1.269  -2.999  0.00  0.00    +0.012 A 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.856  -1.006  -0.475  0.00  0.00    +0.020 C 
ATOM     15  C   LIG    1       -5.563   0.035   0.583  0.00  0.00    +0.009 C 
ATOM     16  C   LIG    1       -6.832   0.119  -0.206  0.00  0.00    +0.009 C 
ENDBRANCH   9  14
ENDBRANCH   5   8
BRANCH   3  17
ATOM     17  N   LIG    1        0.283  -0.723   0.904  0.00  0.00    -0.325 N 
ATOM     18  H   LIG    1        0.991  -1.422   1.104  0.00  0.00    +0.148 HD
BRANCH  17  19
ATOM     19  C   LIG    1        0.706   0.163  -0.173  0.00  0.00    +0.138 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.080   0.704   0.154  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1        2.248   1.627   1.194  0.00  0.00    +0.006 A 
ATOM     22  C   LIG    1        3.516   2.124   1.508  0.00  0.00    +0.009 A 
ATOM     23  C   LIG    1        4.653   1.711   0.796  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1        4.476   0.779  -0.240  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        3.208   0.280  -0.558  0.00  0.00    +0.006 A 
BRANCH  23  26
ATOM     26  C   LIG    1        5.987   2.235   1.125  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.238   3.604   1.226  0.00  0.00    +0.119 A 
ATOM     28  N   LIG    1        7.440   4.154   1.528  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1        8.458   3.296   1.742  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1        8.330   1.920   1.668  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1        7.079   1.389   1.355  0.00  0.00    +0.011 A 
ENDBRANCH  23  26
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   3  17
TORSDOF 6