REMARK  Name = BDB036986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.966  -2.483  -0.359  0.00  0.00    +0.042 A 
ATOM      2  C   LIG    1       -2.117  -1.722  -0.155  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1       -2.353  -0.500   0.634  0.00  0.00    +0.256 C 
ATOM      4  N   LIG    1       -3.679  -0.180   0.485  0.00  0.00    -0.222 N 
ATOM      5  C   LIG    1       -4.306  -1.029  -0.380  0.00  0.00    +0.255 C 
ATOM      6  O   LIG    1       -5.448  -0.997  -0.795  0.00  0.00    -0.270 OA
ATOM      7  O   LIG    1       -1.530   0.104   1.297  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1       -3.321  -2.031  -0.773  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1       -3.469  -3.107  -1.624  0.00  0.00    +0.014 A 
ATOM     10  C   LIG    1       -2.344  -3.896  -1.845  0.00  0.00    +0.003 A 
ATOM     11  C   LIG    1       -1.115  -3.587  -1.222  0.00  0.00    +0.024 A 
ENDROOT
BRANCH   4  12
ATOM     12  C   LIG    1       -4.250   1.055   1.001  0.00  0.00    +0.171 C 
ATOM     13  C   LIG    1       -4.291   2.101  -0.118  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -3.576   2.066  -1.118  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.153   3.156   0.085  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -5.174   3.854  -0.646  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -6.095   3.295   1.074  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -6.854   4.259   1.094  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -6.100   2.242   2.158  0.00  0.00    +0.098 C 
ATOM     20  C   LIG    1       -5.635   0.896   1.622  0.00  0.00    +0.041 C 
ENDBRANCH   4  12
BRANCH   1  22
ATOM     21  C   LIG    1        0.287  -2.609   1.660  0.00  0.00    +0.129 C 
ATOM     22  N   LIG    1        0.244  -2.165   0.262  0.00  0.00    -0.332 N 
BRANCH  22  23
ATOM     23  C   LIG    1        1.506  -2.348  -0.473  0.00  0.00    +0.106 C 
BRANCH  23  24
ATOM     24  C   LIG    1        1.607  -1.443  -1.704  0.00  0.00    +0.038 C 
BRANCH  24  25
ATOM     25  C   LIG    1        1.437   0.046  -1.402  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  N   LIG    1        2.379   0.550  -0.431  0.00  0.00    -0.281 N 
ATOM     27  H   LIG    1        2.069   0.713   0.518  0.00  0.00    +0.152 HD
ATOM     28  C   LIG    1        3.686   0.799  -0.706  0.00  0.00    +0.401 C 
ATOM     29  O   LIG    1        4.219   0.626  -1.790  0.00  0.00    -0.226 OA
BRANCH  28  30
ATOM     30  O   LIG    1        4.287   1.249   0.419  0.00  0.00    -0.445 OA
BRANCH  30  31
ATOM     31  C   LIG    1        5.696   1.596   0.418  0.00  0.00    +0.107 C 
ATOM     32  C   LIG    1        5.984   2.060   1.854  0.00  0.00    +0.055 C 
ATOM     33  C   LIG    1        5.983   2.759  -0.538  0.00  0.00    +0.055 C 
ATOM     34  C   LIG    1        6.570   0.375   0.114  0.00  0.00    +0.055 C 
ENDBRANCH  30  31
ENDBRANCH  28  30
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 8