REMARK  Name = BDB004599
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.635  -0.281   0.397  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.526   0.808   0.291  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.740   0.702   0.999  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.636   1.789   0.922  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.339   2.931   0.153  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.150   3.017  -0.553  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.015  -0.411   1.715  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.111  -1.396   1.719  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.252   1.962  -0.486  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.936  -1.386   1.094  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.956   1.817   1.629  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.734   2.757   1.500  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.286   0.768   2.435  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        4.679  -0.043   2.507  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        6.194   0.759   2.878  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.602  -0.228  -0.281  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -1.085   0.622   0.003  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.497  -1.394  -0.119  0.00  0.00    +0.115 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.917  -0.914  -0.415  0.00  0.00    -0.026 A 
ATOM     20  C   LIG    1       -3.752  -0.548   0.656  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -5.044  -0.070   0.427  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -5.518   0.059  -0.876  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.700  -0.290  -1.949  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.407  -0.767  -1.722  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.037  -2.588  -1.022  0.00  0.00    +0.104 C 
BRANCH  25  26
ATOM     26  N   LIG    1       -0.337  -2.195  -2.268  0.00  0.00    -0.328 NA
ATOM     27  H   LIG    1       -0.431  -1.173  -2.331  0.00  0.00    +0.118 HD
ATOM     28  H   LIG    1        0.666  -2.310  -2.094  0.00  0.00    +0.118 HD
ENDBRANCH  25  26
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6