REMARK  Name = BDB043580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.137  -0.316   0.955  0.00  0.00    -0.028 A 
ATOM      2  C   LIG    1        0.440   0.777   0.132  0.00  0.00    +0.006 A 
ATOM      3  C   LIG    1        1.682   0.870  -0.503  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        2.655  -0.122  -0.325  0.00  0.00    -0.017 A 
ATOM      5  C   LIG    1        2.353  -1.212   0.503  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1        1.112  -1.305   1.142  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        3.957  -0.026  -1.006  0.00  0.00    -0.007 A 
ATOM      8  C   LIG    1        5.151   0.341  -0.342  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        6.356   0.390  -1.070  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        6.388   0.079  -2.430  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1        5.218  -0.283  -3.085  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        4.015  -0.334  -2.380  0.00  0.00    +0.009 A 
BRANCH   8  13
ATOM     13  C   LIG    1        5.173   0.683   1.077  0.00  0.00    +0.180 A 
ATOM     14  N   LIG    1        6.068   0.171   1.978  0.00  0.00    -0.239 N 
ATOM     15  H   LIG    1        6.814  -0.496   1.837  0.00  0.00    +0.192 HD
ATOM     16  N   LIG    1        5.841   0.667   3.200  0.00  0.00    -0.046 NA
ATOM     17  N   LIG    1        4.804   1.479   3.050  0.00  0.00    -0.023 NA
ATOM     18  N   LIG    1        4.379   1.499   1.743  0.00  0.00    -0.108 NA
ENDBRANCH   8  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.196  -0.407   1.659  0.00  0.00    +0.160 C 
BRANCH  19  21
ATOM     20  C   LIG    1       -2.793  -1.688   0.144  0.00  0.00    +0.112 A 
ATOM     21  N   LIG    1       -2.306  -0.536   0.730  0.00  0.00    -0.308 N 
ATOM     22  C   LIG    1       -3.114   0.502   0.338  0.00  0.00    +0.161 A 
ATOM     23  C   LIG    1       -4.055  -0.072  -0.503  0.00  0.00    +0.111 A 
ATOM     24  C   LIG    1       -5.028   0.759  -1.079  0.00  0.00    -0.020 A 
ATOM     25  C   LIG    1       -4.951   2.121  -0.736  0.00  0.00    +0.028 A 
ATOM     26  C   LIG    1       -3.953   2.582   0.131  0.00  0.00    +0.041 A 
ATOM     27  C   LIG    1       -3.904   4.044   0.475  0.00  0.00    +0.065 C 
ATOM     28  C   LIG    1       -6.098   0.269  -2.003  0.00  0.00    +0.046 C 
ATOM     29  N   LIG    1       -3.006   1.796   0.696  0.00  0.00    -0.233 NA
ATOM     30  N   LIG    1       -3.845  -1.424  -0.613  0.00  0.00    -0.230 NA
BRANCH  20  32
ATOM     31  C   LIG    1       -2.889  -3.774   1.501  0.00  0.00    +0.012 C 
ATOM     32  C   LIG    1       -2.221  -3.053   0.342  0.00  0.00    +0.071 C 
ENDBRANCH  20  32
ENDBRANCH  19  21
ENDBRANCH   1  19
TORSDOF 5