REMARK  Name = BDB042834
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.289   1.192   0.137  0.00  0.00    +0.136 A 
ATOM      2  N   LIG    1       -0.309   2.506  -0.139  0.00  0.00    -0.232 NA
ATOM      3  C   LIG    1        0.862   3.089  -0.469  0.00  0.00    +0.078 A 
ATOM      4  C   LIG    1        2.032   2.356  -0.553  0.00  0.00    +0.072 A 
ATOM      5  C   LIG    1        1.965   1.004  -0.270  0.00  0.00    +0.127 A 
ATOM      6  N   LIG    1        0.809   0.424   0.082  0.00  0.00    -0.217 NA
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1       -4.022  -3.292  -1.120  0.00  0.00    +0.109 C 
ATOM      8  C   LIG    1       -3.358  -1.996  -1.490  0.00  0.00    +0.213 C 
ATOM      9  N   LIG    1       -3.324  -0.961  -0.564  0.00  0.00    -0.298 N 
ATOM     10  C   LIG    1       -3.924  -0.895   0.778  0.00  0.00    +0.073 C 
ATOM     11  C   LIG    1       -5.251  -1.603   1.026  0.00  0.00    +0.028 C 
ATOM     12  C   LIG    1       -2.854  -1.246   1.821  0.00  0.00    +0.023 C 
ATOM     13  C   LIG    1       -1.484  -0.633   1.468  0.00  0.00    +0.014 C 
ATOM     14  C   LIG    1       -1.608   0.543   0.479  0.00  0.00    +0.074 C 
ATOM     15  C   LIG    1       -2.325   0.096  -0.814  0.00  0.00    +0.119 C 
ATOM     16  O   LIG    1       -2.850  -1.887  -2.609  0.00  0.00    -0.276 OA
ENDBRANCH   1  14
BRANCH   3  17
ATOM     17  C   LIG    1        0.797   4.534  -0.746  0.00  0.00    +0.019 A 
ATOM     18  C   LIG    1        1.855   5.405  -0.478  0.00  0.00    +0.120 A 
ATOM     19  N   LIG    1        1.853   6.740  -0.726  0.00  0.00    -0.263 NA
ATOM     20  C   LIG    1        0.726   7.254  -1.259  0.00  0.00    +0.111 A 
ATOM     21  C   LIG    1       -0.393   6.497  -1.555  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1       -0.352   5.128  -1.293  0.00  0.00    +0.013 A 
ENDBRANCH   3  17
BRANCH   5  23
ATOM     23  N   LIG    1        3.165   0.255  -0.354  0.00  0.00    -0.299 N 
ATOM     24  H   LIG    1        3.612   0.433  -1.248  0.00  0.00    +0.154 HD
BRANCH  23  25
ATOM     25  C   LIG    1        3.413  -1.065   0.093  0.00  0.00    +0.033 A 
ATOM     26  C   LIG    1        4.464  -1.791  -0.501  0.00  0.00    +0.034 A 
ATOM     27  C   LIG    1        4.774  -3.083  -0.038  0.00  0.00    +0.021 A 
ATOM     28  C   LIG    1        4.052  -3.615   1.022  0.00  0.00    +0.066 A 
ATOM     29  N   LIG    1        4.582  -4.860   1.232  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1        4.302  -5.541   1.929  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1        5.591  -5.176   0.400  0.00  0.00    -0.181 NA
ATOM     32  C   LIG    1        3.028  -2.917   1.663  0.00  0.00    +0.029 A 
ATOM     33  C   LIG    1        5.705  -4.092  -0.372  0.00  0.00    +0.142 A 
ATOM     34  C   LIG    1        2.737  -1.632   1.183  0.00  0.00    +0.025 A 
ENDBRANCH  23  25
ENDBRANCH   5  23
TORSDOF 4