REMARK  Name = BDB044075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.210  -0.864  -0.438  0.00  0.00    +0.029 A 
ATOM      2  C   LIG    1       -1.071  -0.243  -0.245  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -2.049  -1.200  -0.500  0.00  0.00    +0.055 A 
ATOM      4  N   LIG    1       -1.388  -2.364  -0.823  0.00  0.00    -0.357 N 
ATOM      5  H   LIG    1       -1.851  -3.239  -1.026  0.00  0.00    +0.166 HD
ATOM      6  C   LIG    1       -0.028  -2.183  -0.797  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1        0.902  -3.298  -1.116  0.00  0.00    +0.064 C 
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.085   0.711  -0.016  0.00  0.00    +0.038 A 
ATOM      9  C   LIG    1        3.727  -0.544   0.480  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        4.694  -1.457   1.171  0.00  0.00    +0.066 C 
ATOM     11  N   LIG    1        2.466  -1.036   0.346  0.00  0.00    -0.251 NA
ATOM     12  C   LIG    1        1.548  -0.293  -0.323  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        1.847   0.944  -0.879  0.00  0.00    +0.029 A 
ATOM     14  C   LIG    1        3.134   1.450  -0.724  0.00  0.00    +0.015 A 
BRANCH   8  16
ATOM     15  C   LIG    1        6.028   1.385   1.517  0.00  0.00    +0.091 C 
ATOM     16  C   LIG    1        5.430   1.302   0.139  0.00  0.00    +0.162 C 
ATOM     17  O   LIG    1        6.010   1.742  -0.850  0.00  0.00    -0.292 OA
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   2  18
ATOM     18  C   LIG    1       -1.364   1.123   0.167  0.00  0.00    -0.015 A 
ATOM     19  C   LIG    1       -2.131   1.966  -0.646  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1       -2.393   3.279  -0.249  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -1.888   3.757   0.960  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -1.121   2.924   1.774  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1       -0.859   1.611   1.379  0.00  0.00    +0.008 A 
ENDBRANCH   2  18
BRANCH   3  24
ATOM     24  C   LIG    1       -3.511  -1.160  -0.431  0.00  0.00    -0.001 A 
ATOM     25  C   LIG    1       -4.283  -1.584  -1.521  0.00  0.00    +0.010 A 
ATOM     26  C   LIG    1       -5.678  -1.554  -1.456  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -6.313  -1.100  -0.302  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1       -5.555  -0.675   0.788  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -4.160  -0.706   0.723  0.00  0.00    +0.010 A 
ENDBRANCH   3  24
TORSDOF 4