REMARK  Name = BDB046768
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.207  -0.235   0.146  0.00  0.00    -0.279 N 
ATOM      2  H   LIG    1       -0.086   0.442   0.892  0.00  0.00    +0.155 HD
ATOM      3  C   LIG    1        0.917  -0.804  -0.412  0.00  0.00    +0.248 C 
ATOM      4  O   LIG    1        0.968  -1.490  -1.425  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   6
ATOM      5  C   LIG    1       -2.502   0.433   0.398  0.00  0.00    +0.142 A 
ATOM      6  C   LIG    1       -1.552  -0.373  -0.267  0.00  0.00    +0.076 A 
ATOM      7  C   LIG    1       -1.970  -1.256  -1.266  0.00  0.00    +0.038 A 
ATOM      8  C   LIG    1       -3.323  -1.331  -1.623  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1       -4.259  -0.525  -0.966  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -3.850   0.353   0.043  0.00  0.00    +0.048 A 
BRANCH   8  11
ATOM     11  C   LIG    1       -3.733  -2.291  -2.689  0.00  0.00    +0.160 C 
ATOM     12  O   LIG    1       -2.996  -3.224  -2.995  0.00  0.00    -0.292 OA
ATOM     13  C   LIG    1       -5.069  -2.104  -3.360  0.00  0.00    +0.091 C 
ENDBRANCH   8  11
BRANCH   5  14
ATOM     14  O   LIG    1       -1.992   1.257   1.376  0.00  0.00    -0.490 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -2.118   2.943   3.052  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -2.907   2.121   2.048  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   5  14
ENDBRANCH   1   6
BRANCH   3  17
ATOM     17  C   LIG    1        2.192  -0.495   0.296  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1        3.359  -0.329  -0.463  0.00  0.00    +0.041 A 
ATOM     19  C   LIG    1        4.579  -0.046   0.172  0.00  0.00    +0.069 A 
ATOM     20  C   LIG    1        4.623   0.058   1.571  0.00  0.00    +0.028 A 
ATOM     21  C   LIG    1        3.460  -0.124   2.324  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1        2.248  -0.403   1.692  0.00  0.00    +0.013 A 
BRANCH  19  23
ATOM     23  N   LIG    1        5.747   0.133  -0.608  0.00  0.00    -0.200 N 
ATOM     24  N   LIG    1        5.739   0.075  -1.959  0.00  0.00    -0.039 NA
ATOM     25  N   LIG    1        6.988   0.299  -2.343  0.00  0.00    -0.023 NA
ATOM     26  N   LIG    1        7.806   0.503  -1.264  0.00  0.00    -0.116 NA
ATOM     27  C   LIG    1        7.033   0.396  -0.208  0.00  0.00    +0.250 A 
ENDBRANCH  19  23
ENDBRANCH   3  17
TORSDOF 6