REMARK  Name = BDB064473
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.487  -2.791  -0.401  0.00  0.00    +0.279 C 
ATOM      2  C   LIG    1       -0.465  -3.448   1.003  0.00  0.00    +0.260 C 
ATOM      3  O   LIG    1       -0.487  -4.673   1.161  0.00  0.00    -0.271 OA
ATOM      4  N   LIG    1       -0.435  -2.651   2.112  0.00  0.00    -0.282 N 
ATOM      5  H   LIG    1       -0.178  -3.156   2.950  0.00  0.00    +0.155 HD
ATOM      6  C   LIG    1       -0.661  -1.274   2.186  0.00  0.00    +0.043 A 
ATOM      7  C   LIG    1       -1.407  -0.537   1.254  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -1.523   0.856   1.420  0.00  0.00    +0.012 A 
ATOM      9  C   LIG    1       -0.961   1.495   2.526  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -0.277   0.752   3.479  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -2.179  -1.173   0.137  0.00  0.00    +0.077 C 
ATOM     12  C   LIG    1       -0.132  -0.625   3.312  0.00  0.00    +0.024 A 
ATOM     13  N   LIG    1       -1.768  -2.134  -0.619  0.00  0.00    -0.251 NA
ENDROOT
BRANCH  11  14
ATOM     14  C   LIG    1       -3.557  -0.657  -0.151  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -3.966  -0.509  -1.482  0.00  0.00    +0.010 A 
ATOM     16  C   LIG    1       -5.246  -0.035  -1.770  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1       -6.124   0.280  -0.733  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.728   0.113   0.594  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -4.448  -0.361   0.888  0.00  0.00    +0.010 A 
ENDBRANCH  11  14
BRANCH   1  22
ATOM     20  O   LIG    1        2.211  -3.337  -0.206  0.00  0.00    -0.270 OA
ATOM     21  C   LIG    1        1.851  -2.325  -0.797  0.00  0.00    +0.249 C 
ATOM     22  N   LIG    1        0.557  -1.855  -0.749  0.00  0.00    -0.282 N 
ATOM     23  H   LIG    1        0.284  -1.258  -1.512  0.00  0.00    +0.151 HD
BRANCH  21  24
ATOM     24  C   LIG    1        2.760  -1.599  -1.670  0.00  0.00    +0.079 A 
ATOM     25  C   LIG    1        2.774  -0.254  -2.017  0.00  0.00    +0.131 A 
ATOM     26  O   LIG    1        3.780  -0.018  -2.916  0.00  0.00    -0.466 OA
ATOM     27  C   LIG    1        4.452  -1.179  -3.095  0.00  0.00    +0.196 A 
ATOM     28  C   LIG    1        3.882  -2.175  -2.345  0.00  0.00    +0.054 A 
BRANCH  25  29
ATOM     29  C   LIG    1        1.972   0.950  -1.626  0.00  0.00    +0.159 C 
BRANCH  29  30
ATOM     30  N   LIG    1        2.818   2.101  -1.266  0.00  0.00    -0.291 NA
ATOM     31  C   LIG    1        2.047   3.357  -1.194  0.00  0.00    +0.113 C 
ATOM     32  C   LIG    1        1.163   3.470   0.056  0.00  0.00    +0.175 C 
ATOM     33  O   LIG    1        1.921   3.299   1.259  0.00  0.00    -0.377 OA
ATOM     34  C   LIG    1        2.627   2.051   1.253  0.00  0.00    +0.175 C 
ATOM     35  C   LIG    1        3.531   1.916   0.016  0.00  0.00    +0.113 C 
ENDBRANCH  29  30
ENDBRANCH  25  29
ENDBRANCH  21  24
ENDBRANCH   1  22
TORSDOF 5