REMARK  Name = BDB004593
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.293  -0.576   0.131  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        1.451  -0.511  -0.675  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        2.691  -0.527  -0.006  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        3.859  -0.444  -0.794  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        3.792  -0.363  -2.199  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        2.568  -0.369  -2.848  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        2.737  -0.624   1.342  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        1.578  -0.716   2.003  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        1.407  -0.444  -2.091  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        0.362  -0.700   1.464  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        5.240  -0.437  -0.216  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        6.235  -0.364  -0.930  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        5.381  -0.513   1.138  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        6.309  -0.527   1.535  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        4.568  -0.594   1.742  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.976  -0.541  -0.485  0.00  0.00    -0.320 N 
ATOM     17  H   LIG    1       -1.017   0.289  -1.071  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -2.161  -0.627   0.388  0.00  0.00    +0.126 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.660   0.781   0.691  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1       -2.390   1.350   1.946  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1       -2.816   2.644   2.252  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.510   3.392   1.305  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -3.774   2.849   0.050  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.349   1.555  -0.259  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
BRANCH  18  25
ATOM     25  C   LIG    1       -3.240  -1.496  -0.316  0.00  0.00    +0.208 C 
BRANCH  25  28
ATOM     26  N   LIG    1       -1.295  -3.550  -2.035  0.00  0.00    +0.068 NA
ATOM     27  N   LIG    1       -2.031  -3.244  -1.220  0.00  0.00    -0.167 NA
ATOM     28  N   LIG    1       -2.854  -2.923  -0.342  0.00  0.00    -0.108 NA
ENDBRANCH  25  28
ENDBRANCH  18  25
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 6