REMARK  Name = BDB027519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.018   1.103   2.880  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.289   1.376   2.456  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1        0.802   0.868   1.171  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        2.009   1.690   0.680  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1        3.097   1.783   1.757  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        2.502   2.321   3.058  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.295   1.503   3.510  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1       -1.340   0.995   4.061  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1       -4.166   0.713  -0.003  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -3.330   1.839  -0.017  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1       -2.297   1.974   0.916  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1       -2.086   0.970   1.864  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1       -2.929  -0.141   1.904  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1       -3.960  -0.271   0.967  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1       -6.109  -0.354  -1.181  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1       -5.179   0.656  -0.982  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1       -5.226   1.442  -1.618  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1       -6.209  -1.391  -0.537  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1       -8.072  -1.111  -2.585  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1       -7.037  -0.027  -2.341  0.00  0.00    +0.093 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1        2.527   1.273  -0.620  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1        3.093   1.968  -1.096  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        3.212   0.082  -0.756  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1        4.183   0.092  -1.678  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1        4.883  -1.035  -1.873  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1        4.634  -2.202  -1.149  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1        5.382  -3.376  -1.370  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1        6.392  -3.382  -2.328  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        6.651  -2.226  -3.056  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1        3.614  -2.101  -0.220  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1        5.897  -1.069  -2.823  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1        2.901  -0.980  -0.008  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5