REMARK  Name = BDB045580
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.264   0.219  -0.073  0.00  0.00    +0.143 A 
ATOM      2  N   LIG    1       -0.084  -1.095  -0.278  0.00  0.00    -0.338 N 
ATOM      3  H   LIG    1        0.586  -1.831  -0.453  0.00  0.00    +0.167 HD
ATOM      4  C   LIG    1       -1.445  -1.222  -0.196  0.00  0.00    +0.067 A 
ATOM      5  C   LIG    1       -1.897   0.073   0.045  0.00  0.00    +0.102 A 
ATOM      6  C   LIG    1       -3.281   0.284   0.183  0.00  0.00    +0.064 A 
ATOM      7  C   LIG    1       -4.155  -0.815   0.074  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.661  -2.099  -0.170  0.00  0.00    +0.003 A 
ATOM      9  C   LIG    1       -2.289  -2.330  -0.311  0.00  0.00    +0.028 A 
ATOM     10  N   LIG    1       -0.827   0.936   0.137  0.00  0.00    -0.227 NA
ENDROOT
BRANCH   1  12
ATOM     11  C   LIG    1        2.783  -0.099  -0.272  0.00  0.00    +0.131 A 
ATOM     12  C   LIG    1        1.647   0.724  -0.090  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        1.836   2.108   0.084  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.110   2.672   0.081  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        4.222   1.859  -0.097  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1        4.061   0.482  -0.272  0.00  0.00    +0.046 A 
BRANCH  11  18
ATOM     17  C   LIG    1        3.701  -2.283  -0.623  0.00  0.00    +0.277 C 
ATOM     18  O   LIG    1        2.563  -1.447  -0.439  0.00  0.00    -0.494 OA
ENDBRANCH  11  18
ENDBRANCH   1  12
BRANCH   6  19
ATOM     19  C   LIG    1       -3.815   1.637   0.425  0.00  0.00    +0.244 C 
ATOM     20  O   LIG    1       -3.447   2.625  -0.194  0.00  0.00    -0.270 OA
ATOM     21  N   LIG    1       -4.781   1.733   1.394  0.00  0.00    -0.325 N 
ATOM     22  H   LIG    1       -4.890   1.008   2.089  0.00  0.00    +0.145 HD
ATOM     23  H   LIG    1       -5.032   2.677   1.659  0.00  0.00    +0.145 HD
ENDBRANCH   6  19
TORSDOF 3