REMARK  Name = BDB004585
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.190   0.639  -0.352  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1        2.884   0.269   0.034  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1        1.901   0.200  -0.973  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        0.596  -0.155  -0.565  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1        0.317  -0.468   0.706  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1        1.309  -0.375   1.586  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1        2.245   0.471  -2.322  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1        3.537   0.829  -2.681  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1        2.569  -0.016   1.317  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1        4.506   0.917  -1.696  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1        5.091   0.524   1.934  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1        4.168   0.245   2.255  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1        5.855   0.587   2.591  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1        5.328   0.762   0.614  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1        6.455   1.073   0.242  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1       -0.435  -0.205  -1.523  0.00  0.00    -0.322 N 
ATOM     17  H   LIG    1       -0.447   0.672  -2.032  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1       -1.800  -0.587  -1.126  0.00  0.00    +0.102 C 
ATOM     19  C   LIG    1       -2.456   0.343  -0.112  0.00  0.00    -0.024 A 
ATOM     20  C   LIG    1       -3.264  -0.177   0.921  0.00  0.00    -0.042 A 
ATOM     21  C   LIG    1       -3.874   0.695   1.837  0.00  0.00    +0.004 A 
ATOM     22  C   LIG    1       -3.723   2.075   1.714  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -2.959   2.598   0.677  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -3.452  -1.664   1.101  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1       -3.227  -2.444  -0.191  0.00  0.00    +0.007 C 
ATOM     26  C   LIG    1       -2.336   1.741  -0.232  0.00  0.00    +0.006 A 
ATOM     27  C   LIG    1       -1.872  -2.087  -0.786  0.00  0.00    +0.027 C 
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 3