REMARK  Name = BDB022057
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.145   2.040   1.545  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1       -0.825   1.726   1.201  0.00  0.00    -0.297 N 
ATOM      3  C   LIG    1       -0.332   0.351   1.117  0.00  0.00    +0.109 C 
ATOM      4  C   LIG    1        0.820   0.218   0.128  0.00  0.00    +0.032 C 
ATOM      5  C   LIG    1        1.930   1.234   0.423  0.00  0.00    +0.078 C 
ATOM      6  C   LIG    1        1.337   2.649   0.448  0.00  0.00    +0.032 C 
ATOM      7  C   LIG    1        0.185   2.752   1.439  0.00  0.00    +0.109 C 
ATOM      8  O   LIG    1       -2.493   3.125   2.003  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  15
ATOM      9  C   LIG    1       -5.156  -0.967   1.203  0.00  0.00    +0.128 A 
ATOM     10  C   LIG    1       -4.592  -0.443   0.007  0.00  0.00    +0.025 A 
ATOM     11  C   LIG    1       -3.603   0.573   0.081  0.00  0.00    -0.002 A 
ATOM     12  C   LIG    1       -3.083   1.102  -1.126  0.00  0.00    +0.009 A 
ATOM     13  C   LIG    1       -3.499   0.635  -2.372  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -4.452  -0.369  -2.444  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.191   1.009   1.363  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1       -3.768   0.501   2.531  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -4.992  -0.897  -1.271  0.00  0.00    +0.012 A 
ATOM     18  C   LIG    1       -4.743  -0.488   2.450  0.00  0.00    +0.047 A 
BRANCH   9  20
ATOM     19  C   LIG    1       -6.790  -2.407   2.201  0.00  0.00    +0.277 C 
ATOM     20  O   LIG    1       -6.104  -1.952   1.042  0.00  0.00    -0.495 OA
ENDBRANCH   9  20
ENDBRANCH   1  15
BRANCH   5  21
ATOM     21  C   LIG    1        3.054   1.124  -0.612  0.00  0.00    +0.220 C 
ATOM     22  N   LIG    1        3.751  -0.070  -0.500  0.00  0.00    -0.285 N 
ATOM     23  H   LIG    1        3.476  -0.675   0.260  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        3.270   2.019  -1.420  0.00  0.00    -0.275 OA
BRANCH  22  25
ATOM     25  C   LIG    1        4.826  -0.532  -1.296  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1        5.416  -1.779  -0.984  0.00  0.00    -0.029 A 
ATOM     27  C   LIG    1        4.945  -2.631   0.165  0.00  0.00    +0.045 C 
ATOM     28  C   LIG    1        6.484  -2.255  -1.767  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        6.966  -1.516  -2.844  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.385  -0.292  -3.152  0.00  0.00    +0.002 A 
ATOM     31  C   LIG    1        5.324   0.194  -2.384  0.00  0.00    +0.023 A 
ENDBRANCH  22  25
ENDBRANCH   5  21
TORSDOF 4