REMARK  Name = BDB047849
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.094  -0.675   1.551  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -2.624  -1.679   0.688  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -1.244  -1.949   0.604  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -0.475  -2.878  -0.147  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1        0.846  -2.690   0.182  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.915  -1.666   1.097  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1       -0.356  -1.206   1.388  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.808  -0.203   2.261  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -2.183   0.048   2.327  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.572  -0.373   1.627  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.110   0.429   0.433  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -4.596   1.865   0.541  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1       -5.051   2.766   1.229  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -3.523   2.100  -0.245  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -3.307   3.040  -0.069  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1       -6.541   0.368   0.510  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -7.175   1.801  -1.377  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -7.207   0.420  -0.749  0.00  0.00    +0.157 C 
ENDBRANCH  16  18
ENDBRANCH  11  16
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  19
ATOM     19  C   LIG    1        2.160  -1.183   1.685  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.970  -0.409   0.706  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1        2.629   0.671  -0.084  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        1.403   1.459  -0.306  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        3.734   1.032  -0.803  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        4.705   0.149  -0.410  0.00  0.00    +0.228 A 
ATOM     25  N   LIG    1        4.299  -0.723   0.494  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1        6.021   0.296  -1.027  0.00  0.00    +0.037 A 
ATOM     27  C   LIG    1        6.287   1.287  -1.984  0.00  0.00    +0.013 A 
ATOM     28  C   LIG    1        7.556   1.404  -2.558  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        8.575   0.531  -2.182  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.328  -0.459  -1.234  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        7.059  -0.575  -0.661  0.00  0.00    +0.013 A 
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 9