REMARK  Name = BDB004582
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.669  -0.849  -0.478  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1        2.849  -0.157  -0.130  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1        4.026  -0.924  -0.034  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1        5.214  -0.253   0.327  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1        5.228   1.135   0.571  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1        4.067   1.882   0.457  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1        3.997  -2.253  -0.286  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1        2.827  -2.800  -0.637  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1        2.887   1.241   0.107  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1        1.664  -2.163  -0.748  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1        6.535  -0.943   0.475  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1        7.554  -0.326   0.767  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1        6.591  -2.291   0.279  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1        5.762  -2.813   0.008  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1        7.481  -2.761   0.355  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1        0.454  -0.139  -0.579  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.292   0.365   0.289  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -0.707  -0.948  -0.928  0.00  0.00    +0.138 C 
BRANCH  18  21
ATOM     19  C   LIG    1       -3.936   0.839   0.075  0.00  0.00    +0.037 A 
ATOM     20  C   LIG    1       -2.821  -0.011   0.105  0.00  0.00    +0.018 A 
ATOM     21  C   LIG    1       -1.921  -0.048  -0.970  0.00  0.00    -0.030 A 
ATOM     22  C   LIG    1       -2.141   0.797  -2.068  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1       -3.241   1.655  -2.096  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1       -4.138   1.679  -1.027  0.00  0.00    +0.013 A 
BRANCH  19  28
ATOM     25  C   LIG    1       -7.158   1.098   2.040  0.00  0.00    +0.128 C 
ATOM     26  N   LIG    1       -6.167   1.187   0.996  0.00  0.00    -0.314 N 
ATOM     27  H   LIG    1       -6.493   1.186   0.039  0.00  0.00    +0.149 HD
ATOM     28  C   LIG    1       -4.855   0.839   1.246  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1       -4.440   0.510   2.352  0.00  0.00    -0.270 OA
ENDBRANCH  19  28
ENDBRANCH  18  21
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 5