REMARK  Name = BDB001847
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.567   0.801  -0.144  0.00  0.00    -0.033 A 
ATOM      2  C   LIG    1       -1.428   1.905  -0.081  0.00  0.00    +0.005 A 
ATOM      3  C   LIG    1       -2.780   1.738   0.228  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -3.297   0.461   0.477  0.00  0.00    -0.045 A 
ATOM      5  C   LIG    1       -2.440  -0.644   0.412  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -1.088  -0.476   0.104  0.00  0.00    +0.005 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        0.896   0.983  -0.491  0.00  0.00    +0.119 C 
BRANCH   7   8
ATOM      8  N   LIG    1        1.604   1.879   0.433  0.00  0.00    -0.295 NA
ATOM      9  C   LIG    1        1.769   1.281   1.760  0.00  0.00    +0.105 C 
BRANCH   8  10
ATOM     10  C   LIG    1        2.884   2.366  -0.114  0.00  0.00    +0.143 C 
BRANCH  10  13
ATOM     11  C   LIG    1        3.736   0.838  -3.001  0.00  0.00    +0.088 C 
ATOM     12  C   LIG    1        4.203   0.699  -1.612  0.00  0.00    +0.127 A 
ATOM     13  C   LIG    1        3.882   1.292  -0.408  0.00  0.00    +0.097 A 
ATOM     14  N   LIG    1        4.673   0.753   0.588  0.00  0.00    -0.212 NA
ATOM     15  C   LIG    1        5.417  -0.145  -0.031  0.00  0.00    +0.228 A 
ATOM     16  O   LIG    1        5.179  -0.229  -1.378  0.00  0.00    -0.440 OA
BRANCH  15  17
ATOM     17  C   LIG    1        6.433  -1.038   0.518  0.00  0.00    +0.037 A 
ATOM     18  C   LIG    1        6.719  -1.001   1.892  0.00  0.00    +0.013 A 
ATOM     19  C   LIG    1        7.685  -1.843   2.447  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        8.380  -2.736   1.634  0.00  0.00    +0.000 A 
ATOM     21  C   LIG    1        8.110  -2.786   0.268  0.00  0.00    +0.001 A 
ATOM     22  C   LIG    1        7.143  -1.943  -0.287  0.00  0.00    +0.013 A 
ENDBRANCH  15  17
ENDBRANCH  10  13
ENDBRANCH   8  10
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  23
ATOM     23  C   LIG    1       -4.765   0.278   0.789  0.00  0.00    +0.071 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -5.635   0.244  -0.476  0.00  0.00    +0.199 C 
BRANCH  24  25
ATOM     25  N   LIG    1       -7.051   0.434  -0.154  0.00  0.00    -0.339 N 
ATOM     26  C   LIG    1       -7.798   1.525  -0.524  0.00  0.00    +0.086 A 
ATOM     27  C   LIG    1       -9.070   1.361  -0.021  0.00  0.00    +0.019 A 
ATOM     28  C   LIG    1       -9.092   0.134   0.681  0.00  0.00    +0.019 A 
ATOM     29  C   LIG    1       -7.833  -0.416   0.587  0.00  0.00    +0.086 A 
ENDBRANCH  24  25
BRANCH  24  30
ATOM     30  C   LIG    1       -5.439  -1.043  -1.250  0.00  0.00    +0.328 C 
ATOM     31  O   LIG    1       -5.282  -2.165  -0.790  0.00  0.00    -0.249 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.467  -0.865  -2.589  0.00  0.00    -0.479 OA
ATOM     33  H   LIG    1       -5.360  -1.768  -2.956  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  24  30
ENDBRANCH  23  24
ENDBRANCH   4  23
TORSDOF 10