REMARK  Name = BDB018448
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.382  -0.353  -0.360  0.00  0.00    +0.025 A 
ATOM      2  C   LIG    1        0.881  -0.436   0.187  0.00  0.00    +0.123 A 
ATOM      3  N   LIG    1        1.790  -0.205  -0.826  0.00  0.00    -0.238 N 
ATOM      4  N   LIG    1        1.152  -0.095  -2.025  0.00  0.00    -0.174 NA
ATOM      5  C   LIG    1       -0.147  -0.131  -1.726  0.00  0.00    +0.143 A 
ENDROOT
BRANCH   1   7
ATOM      6  C   LIG    1       -2.803   0.338   0.033  0.00  0.00    +0.135 A 
ATOM      7  C   LIG    1       -1.632  -0.502   0.336  0.00  0.00    +0.043 A 
ATOM      8  C   LIG    1       -1.772  -1.437   1.300  0.00  0.00    +0.101 A 
ATOM      9  N   LIG    1       -2.954  -1.634   1.993  0.00  0.00    -0.317 N 
ATOM     10  C   LIG    1       -3.000  -2.679   3.004  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -4.092  -0.882   1.740  0.00  0.00    +0.255 A 
ATOM     12  O   LIG    1       -5.170  -1.017   2.311  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.960   0.159   0.693  0.00  0.00    +0.116 A 
BRANCH   6  14
ATOM     14  O   LIG    1       -2.581   1.294  -0.937  0.00  0.00    -0.491 OA
BRANCH  14  16
ATOM     15  C   LIG    1       -3.124   3.148  -2.329  0.00  0.00    +0.048 C 
ATOM     16  C   LIG    1       -3.634   2.200  -1.259  0.00  0.00    +0.226 C 
ENDBRANCH  14  16
ENDBRANCH   6  14
ENDBRANCH   1   7
BRANCH   3  17
ATOM     17  C   LIG    1        3.217  -0.181  -0.778  0.00  0.00    +0.079 A 
ATOM     18  C   LIG    1        3.965  -0.008   0.398  0.00  0.00    +0.084 A 
ATOM     19  C   LIG    1        5.371  -0.098   0.356  0.00  0.00    +0.017 A 
ATOM     20  C   LIG    1        6.035  -0.338  -0.846  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        5.305  -0.470  -2.020  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        3.911  -0.388  -1.990  0.00  0.00    +0.028 A 
BRANCH  18  23
ATOM     23  C   LIG    1        3.391   0.434   1.682  0.00  0.00    +0.339 C 
ATOM     24  O   LIG    1        2.623   1.358   1.853  0.00  0.00    -0.245 OA
BRANCH  23  25
ATOM     25  O   LIG    1        3.821  -0.336   2.697  0.00  0.00    -0.477 OA
ATOM     26  H   LIG    1        3.401   0.055   3.492  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  18  23
ENDBRANCH   3  17
TORSDOF 6