REMARK  Name = BDB046766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.312  -0.430  -0.084  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1        0.275   0.553  -0.332  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        1.536  -0.991   0.211  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        1.735  -2.096   0.698  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.072  -0.173  -0.215  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -0.968  -1.020   0.026  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -1.181  -2.364   0.342  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -2.485  -2.870   0.437  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -3.576  -2.025   0.202  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.370  -0.681  -0.125  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -2.674  -4.313   0.769  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -1.741  -5.102   0.642  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -4.026  -4.779   1.242  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -1.755   1.127  -0.536  0.00  0.00    -0.490 OA
BRANCH  14  15
ATOM     15  C   LIG    1       -2.834   2.052  -0.677  0.00  0.00    +0.229 C 
BRANCH  15  17
ATOM     16  C   LIG    1       -1.397   3.956   0.178  0.00  0.00    +0.007 C 
ATOM     17  C   LIG    1       -2.255   3.436  -0.966  0.00  0.00    +0.038 C 
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  18
ATOM     18  C   LIG    1        2.712  -0.113  -0.057  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        3.838  -0.234   0.766  0.00  0.00    +0.028 A 
ATOM     20  C   LIG    1        4.950   0.584   0.547  0.00  0.00    +0.060 A 
ATOM     21  C   LIG    1        4.961   1.495  -0.517  0.00  0.00    +0.015 A 
ATOM     22  C   LIG    1        3.847   1.600  -1.351  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        2.724   0.800  -1.123  0.00  0.00    +0.013 A 
BRANCH  20  24
ATOM     24  C   LIG    1        6.123   0.443   1.438  0.00  0.00    +0.337 C 
ATOM     25  O   LIG    1        6.559  -0.631   1.809  0.00  0.00    -0.245 OA
BRANCH  24  26
ATOM     26  O   LIG    1        6.631   1.634   1.823  0.00  0.00    -0.477 OA
ATOM     27  H   LIG    1        6.083   2.406   1.588  0.00  0.00    +0.295 HD
ENDBRANCH  24  26
ENDBRANCH  20  24
ENDBRANCH   3  18
TORSDOF 8