REMARK  Name = BDB062360
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.075  -0.462  -2.900  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1        0.293  -0.269  -2.922  0.00  0.00    -0.289 N 
ATOM      3  C   LIG    1        1.174   0.297  -1.902  0.00  0.00    +0.162 C 
ATOM      4  C   LIG    1        2.372   0.780  -2.720  0.00  0.00    +0.033 C 
ATOM      5  C   LIG    1        2.503  -0.293  -3.799  0.00  0.00    +0.021 C 
ATOM      6  C   LIG    1        1.065  -0.721  -4.071  0.00  0.00    +0.108 C 
ATOM      7  O   LIG    1       -1.604  -1.131  -3.796  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   1   8
ATOM      8  C   LIG    1       -1.960   0.256  -1.820  0.00  0.00    +0.072 C 
ATOM      9  C   LIG    1       -1.838   1.792  -2.108  0.00  0.00    +0.021 C 
ATOM     10  C   LIG    1       -3.166   2.558  -2.170  0.00  0.00    +0.001 C 
ATOM     11  C   LIG    1       -4.172   2.096  -1.128  0.00  0.00    +0.000 C 
ATOM     12  C   LIG    1       -4.463   0.602  -1.222  0.00  0.00    +0.001 C 
ATOM     13  C   LIG    1       -3.445  -0.166  -2.070  0.00  0.00    +0.021 C 
BRANCH   8  17
ATOM     14  C   LIG    1       -1.031  -1.145   2.232  0.00  0.00    +0.120 A 
ATOM     15  C   LIG    1       -1.141  -2.033   1.165  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1       -1.431  -1.573  -0.123  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1       -1.602  -0.202  -0.389  0.00  0.00    -0.032 A 
ATOM     18  C   LIG    1       -1.495   0.678   0.702  0.00  0.00    +0.008 A 
ATOM     19  C   LIG    1       -1.211   0.214   1.995  0.00  0.00    +0.046 A 
BRANCH  14  21
ATOM     20  C   LIG    1       -0.655  -0.859   4.561  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1       -0.751  -1.724   3.438  0.00  0.00    -0.495 OA
ENDBRANCH  14  21
ENDBRANCH   8  17
ENDBRANCH   1   8
BRANCH   3  22
ATOM     22  C   LIG    1        1.668  -0.758  -0.873  0.00  0.00    +0.238 C 
ATOM     23  N   LIG    1        2.088  -0.174   0.315  0.00  0.00    -0.283 N 
ATOM     24  H   LIG    1        1.896   0.811   0.430  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        1.729  -1.953  -1.149  0.00  0.00    -0.273 OA
BRANCH  23  26
ATOM     26  C   LIG    1        2.619  -0.823   1.451  0.00  0.00    +0.044 A 
ATOM     27  C   LIG    1        2.862  -0.060   2.618  0.00  0.00    +0.041 A 
ATOM     28  C   LIG    1        3.381  -0.677   3.753  0.00  0.00    +0.068 A 
ATOM     29  N   LIG    1        3.494   0.313   4.693  0.00  0.00    -0.277 N 
ATOM     30  H   LIG    1        3.844   0.227   5.641  0.00  0.00    +0.189 HD
ATOM     31  N   LIG    1        3.078   1.520   4.272  0.00  0.00    -0.181 NA
ATOM     32  C   LIG    1        3.685  -2.038   3.810  0.00  0.00    +0.028 A 
ATOM     33  C   LIG    1        3.442  -2.785   2.657  0.00  0.00    +0.004 A 
ATOM     34  C   LIG    1        2.705   1.292   3.011  0.00  0.00    +0.144 A 
ATOM     35  C   LIG    1        2.922  -2.192   1.502  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH   3  22
TORSDOF 5