REMARK  Name = BDB004809
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.079  -0.197  -0.110  0.00  0.00    +0.130 A 
ATOM      2  C   LIG    1       -2.405  -0.139  -0.592  0.00  0.00    +0.041 A 
ATOM      3  C   LIG    1       -3.378   0.385   0.283  0.00  0.00    +0.088 A 
ATOM      4  C   LIG    1       -4.706   0.466  -0.188  0.00  0.00    +0.063 A 
ATOM      5  C   LIG    1       -5.053   0.028  -1.481  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -4.093  -0.502  -2.327  0.00  0.00    +0.002 A 
ATOM      7  N   LIG    1       -3.031   0.788   1.525  0.00  0.00    -0.235 NA
ATOM      8  C   LIG    1       -1.752   0.655   1.891  0.00  0.00    +0.223 A 
ATOM      9  C   LIG    1       -2.781  -0.586  -1.885  0.00  0.00    +0.013 A 
ATOM     10  N   LIG    1       -0.766   0.169   1.139  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -5.837   1.010   0.630  0.00  0.00    +0.244 C 
ATOM     12  O   LIG    1       -6.982   1.054   0.193  0.00  0.00    -0.270 OA
ATOM     13  N   LIG    1       -5.572   1.465   1.887  0.00  0.00    -0.325 N 
ATOM     14  H   LIG    1       -4.632   1.420   2.271  0.00  0.00    +0.145 HD
ATOM     15  H   LIG    1       -6.330   1.821   2.450  0.00  0.00    +0.145 HD
ENDBRANCH   4  11
BRANCH   1  16
ATOM     16  N   LIG    1       -0.063  -0.671  -0.953  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1       -0.106  -0.148  -1.824  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.351  -0.804  -0.517  0.00  0.00    +0.090 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.561  -1.999   0.458  0.00  0.00    +0.100 C 
BRANCH  19  20
ATOM     20  N   LIG    1        1.236  -1.748   1.865  0.00  0.00    -0.328 NA
ATOM     21  H   LIG    1        0.994  -2.629   2.314  0.00  0.00    +0.118 HD
ATOM     22  H   LIG    1        0.381  -1.180   1.876  0.00  0.00    +0.118 HD
ENDBRANCH  19  20
ENDBRANCH  18  19
BRANCH  18  23
ATOM     23  C   LIG    1        1.981   0.534  -0.078  0.00  0.00    +0.058 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.490   0.540  -0.186  0.00  0.00    -0.046 A 
ATOM     25  C   LIG    1        4.118   0.887  -1.390  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1        5.511   0.874  -1.489  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.286   0.511  -0.389  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.671   0.162   0.811  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.279   0.175   0.913  0.00  0.00    +0.004 A 
ENDBRANCH  23  24
ENDBRANCH  18  23
ENDBRANCH  16  18
ENDBRANCH   1  16
TORSDOF 7