REMARK  Name = BDB015879
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.320   0.107  -0.046  0.00  0.00    +0.162 A 
ATOM      2  N   LIG    1       -0.819  -0.555   0.245  0.00  0.00    -0.212 NA
ATOM      3  C   LIG    1       -1.989   0.109   0.153  0.00  0.00    +0.131 A 
ATOM      4  C   LIG    1       -2.032   1.444  -0.245  0.00  0.00    +0.043 A 
ATOM      5  C   LIG    1       -0.813   2.031  -0.522  0.00  0.00    +0.125 A 
ATOM      6  N   LIG    1        0.369   1.395  -0.430  0.00  0.00    -0.235 NA
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1        4.056  -0.688  -0.068  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.834  -0.002  -0.175  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        1.595  -0.632   0.067  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        1.625  -1.993   0.422  0.00  0.00    +0.011 A 
ATOM     11  C   LIG    1        2.830  -2.691   0.530  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.038  -2.041   0.286  0.00  0.00    +0.008 A 
BRANCH   7  17
ATOM     13  C   LIG    1        8.834   0.672   0.017  0.00  0.00    +0.172 C 
ATOM     14  N   LIG    1        7.424   0.592  -0.278  0.00  0.00    -0.274 N 
ATOM     15  N   LIG    1        6.875   1.478  -1.127  0.00  0.00    -0.179 NA
ATOM     16  C   LIG    1        5.588   1.122  -1.157  0.00  0.00    +0.142 A 
ATOM     17  C   LIG    1        5.306   0.005  -0.334  0.00  0.00    +0.020 A 
ATOM     18  C   LIG    1        6.529  -0.308   0.224  0.00  0.00    +0.116 A 
ENDBRANCH   7  17
ENDBRANCH   1   9
BRANCH   4  19
ATOM     19  C   LIG    1       -3.249   2.214  -0.353  0.00  0.00    +0.024 A 
ATOM     20  C   LIG    1       -3.762   2.709  -1.533  0.00  0.00    +0.116 A 
ATOM     21  N   LIG    1       -4.911   3.365  -1.197  0.00  0.00    -0.274 N 
ATOM     22  C   LIG    1       -5.821   4.039  -2.091  0.00  0.00    +0.172 C 
ATOM     23  N   LIG    1       -5.170   3.349   0.124  0.00  0.00    -0.179 NA
ATOM     24  C   LIG    1       -4.154   2.652   0.637  0.00  0.00    +0.143 A 
ENDBRANCH   4  19
BRANCH   3  25
ATOM     25  N   LIG    1       -3.180  -0.604   0.382  0.00  0.00    -0.323 N 
ATOM     26  H   LIG    1       -3.829  -0.055   0.938  0.00  0.00    +0.148 HD
BRANCH  25  27
ATOM     27  C   LIG    1       -3.036  -1.978   0.863  0.00  0.00    +0.099 C 
ATOM     28  C   LIG    1       -2.563  -2.090   2.314  0.00  0.00    +0.182 C 
ATOM     29  O   LIG    1       -3.279  -3.179   2.927  0.00  0.00    -0.378 OA
ATOM     30  C   LIG    1       -4.150  -3.744   1.942  0.00  0.00    +0.162 C 
ATOM     31  C   LIG    1       -4.390  -2.657   0.923  0.00  0.00    +0.052 C 
ENDBRANCH  25  27
ENDBRANCH   3  25
TORSDOF 5