REMARK  Name = BDB027597
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.820  -1.433  -0.688  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.053  -0.839   0.201  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        0.267  -0.155   1.443  0.00  0.00    +0.113 C 
ATOM      4  C   LIG    1       -1.011  -0.239   2.281  0.00  0.00    +0.025 C 
ATOM      5  C   LIG    1       -1.043  -1.518   3.122  0.00  0.00    +0.011 C 
ATOM      6  C   LIG    1       -2.131  -0.228   1.218  0.00  0.00    +0.095 C 
ATOM      7  C   LIG    1       -1.493  -1.007   0.049  0.00  0.00    +0.130 C 
ATOM      8  O   LIG    1        0.455  -2.192  -1.583  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        5.037  -0.749  -0.303  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        4.155   0.334  -0.355  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.777   0.123  -0.482  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.271  -1.177  -0.538  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.145  -2.265  -0.514  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.521  -2.050  -0.391  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.162   0.545  -0.040  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        6.438  -0.622  -0.178  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        6.955  -1.490  -0.185  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        6.725   1.687   0.022  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        9.497   1.286   0.202  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        8.628   0.279   0.044  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.432   1.161   0.860  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -2.438   1.829   1.623  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.653   1.350   0.222  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -4.166   0.397  -0.567  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1       -5.341   0.637  -1.165  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -6.044   1.827  -0.977  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.279   2.057  -1.616  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -7.816   1.083  -2.453  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.125  -0.108  -2.649  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.433   2.735  -0.129  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.899  -0.318  -2.006  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -4.252   2.517   0.481  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5