REMARK  Name = BDB004592
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.673   0.026  -0.164  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.740  -0.583   0.530  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.654  -1.328  -0.241  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.734  -1.935   0.435  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.889  -1.811   1.830  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.976  -1.089   2.580  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.482  -1.446  -1.577  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.422  -0.842  -2.128  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.908  -0.481   1.934  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.517  -0.107  -1.488  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        4.783  -2.748  -0.258  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        5.709  -3.264   0.360  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        4.695  -2.910  -1.608  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.388  -3.470  -2.082  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        3.924  -2.505  -2.131  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.265   0.796   0.561  0.00  0.00    -0.319 N 
ATOM     17  H   LIG    1        0.248   1.554   1.015  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.369   1.395  -0.214  0.00  0.00    +0.128 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.457   0.380  -0.529  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -3.042   0.357  -1.805  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -4.064  -0.547  -2.103  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -4.513  -1.439  -1.131  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.941  -1.429   0.139  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -2.921  -0.526   0.439  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -1.972   2.555   0.618  0.00  0.00    +0.186 C 
BRANCH  25  27
ATOM     26  C   LIG    1       -1.452   4.612   1.657  0.00  0.00    +0.194 C 
ATOM     27  O   LIG    1       -0.940   3.515   0.911  0.00  0.00    -0.381 OA
ENDBRANCH  25  27
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6