REMARK  Name = BDB001845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.908  -1.490  -1.205  0.00  0.00    +0.027 A 
ATOM      2  C   LIG    1       -1.337  -0.439  -0.388  0.00  0.00    +0.023 A 
ATOM      3  C   LIG    1       -2.573  -0.483   0.269  0.00  0.00    +0.005 A 
ATOM      4  C   LIG    1       -3.431  -1.573   0.098  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -3.035  -2.608  -0.753  0.00  0.00    +0.005 A 
ATOM      6  C   LIG    1       -1.796  -2.556  -1.401  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1        0.283  -1.474  -1.929  0.00  0.00    -0.343 N 
ATOM      8  H   LIG    1        0.574  -2.401  -2.231  0.00  0.00    +0.146 HD
BRANCH   7   9
ATOM      9  C   LIG    1        1.411  -0.626  -1.536  0.00  0.00    +0.108 C 
BRANCH   9  10
ATOM     10  C   LIG    1        2.095  -1.133  -0.264  0.00  0.00    +0.077 C 
BRANCH  10  13
ATOM     11  C   LIG    1        2.295   1.346   2.010  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1        3.267   0.751   1.077  0.00  0.00    +0.126 A 
ATOM     13  C   LIG    1        3.227  -0.259   0.139  0.00  0.00    +0.084 A 
ATOM     14  N   LIG    1        4.464  -0.386  -0.452  0.00  0.00    -0.214 NA
ATOM     15  C   LIG    1        5.206   0.531   0.142  0.00  0.00    +0.228 A 
ATOM     16  O   LIG    1        4.533   1.262   1.088  0.00  0.00    -0.440 OA
BRANCH  15  17
ATOM     17  C   LIG    1        6.612   0.863  -0.073  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        7.256   1.879   0.649  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        8.603   2.175   0.421  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        9.324   1.457  -0.531  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        8.700   0.444  -1.256  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        7.354   0.150  -1.028  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   9  10
ENDBRANCH   7   9
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1       -4.779  -1.610   0.780  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.887  -0.923  -0.038  0.00  0.00    +0.199 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -5.807   0.537  -0.008  0.00  0.00    -0.339 N 
ATOM     26  C   LIG    1       -5.513   1.329  -1.089  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1       -5.514   2.642  -0.672  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -5.815   2.645   0.709  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -5.988   1.334   1.096  0.00  0.00    +0.086 A 
ENDBRANCH  24  25
BRANCH  24  30
ATOM     30  C   LIG    1       -7.267  -1.389   0.379  0.00  0.00    +0.328 C 
ATOM     31  O   LIG    1       -8.229  -1.528  -0.361  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -7.407  -1.630   1.699  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -8.356  -1.861   1.798  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 10