REMARK  Name = BDB065290
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.136   0.810   0.016  0.00  0.00    -0.422 OA
ENDROOT
BRANCH   1   6
ATOM      2  C   LIG    1       -5.707   0.256  -0.401  0.00  0.00    +0.124 A 
ATOM      3  C   LIG    1       -4.307   0.421  -0.330  0.00  0.00    +0.022 A 
ATOM      4  C   LIG    1       -3.615  -0.330   0.647  0.00  0.00    -0.010 A 
ATOM      5  C   LIG    1       -2.220  -0.215   0.760  0.00  0.00    +0.055 A 
ATOM      6  C   LIG    1       -1.520   0.630  -0.100  0.00  0.00    +0.133 A 
ATOM      7  C   LIG    1       -2.181   1.401  -1.047  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -4.338  -1.176   1.492  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1       -5.711  -1.247   1.342  0.00  0.00    +0.113 A 
ATOM     10  C   LIG    1       -3.567   1.293  -1.165  0.00  0.00    +0.015 A 
ATOM     11  N   LIG    1       -6.406  -0.553   0.419  0.00  0.00    -0.240 NA
BRANCH   2  12
ATOM     12  N   LIG    1       -6.484   0.940  -1.341  0.00  0.00    -0.343 N 
ATOM     13  H   LIG    1       -7.439   0.616  -1.204  0.00  0.00    +0.144 HD
ATOM     14  H   LIG    1       -6.159   0.742  -2.281  0.00  0.00    +0.144 HD
ENDBRANCH   2  12
ENDBRANCH   1   6
BRANCH   1  15
ATOM     15  C   LIG    1        0.646  -0.310  -0.202  0.00  0.00    +0.351 C 
ATOM     16  O   LIG    1        0.255  -1.454  -0.395  0.00  0.00    -0.244 OA
BRANCH  15  17
ATOM     17  C   LIG    1        2.075   0.052  -0.086  0.00  0.00    +0.144 A 
ATOM     18  C   LIG    1        2.590   1.358  -0.544  0.00  0.00    +0.351 A 
ATOM     19  O   LIG    1        1.889   2.179  -1.124  0.00  0.00    -0.244 OA
ATOM     20  O   LIG    1        3.939   1.617  -0.309  0.00  0.00    -0.422 OA
ATOM     21  C   LIG    1        4.791   0.649   0.253  0.00  0.00    +0.139 A 
ATOM     22  C   LIG    1        4.301  -0.598   0.627  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1        5.181  -1.534   1.172  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1        6.532  -1.210   1.335  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        7.007   0.048   0.955  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        6.133   0.986   0.410  0.00  0.00    +0.047 A 
ATOM     27  C   LIG    1        2.886  -0.876   0.449  0.00  0.00    +0.033 A 
ENDBRANCH  15  17
ENDBRANCH   1  15
TORSDOF 4