REMARK  Name = BDB047848
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.968  -1.732   0.268  0.00  0.00    -0.044 A 
ATOM      2  C   LIG    1       -3.214  -1.091   1.494  0.00  0.00    +0.013 A 
ATOM      3  C   LIG    1       -2.138  -0.711   2.319  0.00  0.00    +0.000 A 
ATOM      4  C   LIG    1       -2.050  -0.064   3.581  0.00  0.00    +0.027 A 
ATOM      5  C   LIG    1       -0.718   0.045   3.906  0.00  0.00    +0.087 A 
ATOM      6  N   LIG    1        0.014  -0.498   2.878  0.00  0.00    -0.341 N 
ATOM      7  C   LIG    1       -0.834  -0.980   1.898  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1       -0.565  -1.618   0.677  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -1.650  -1.985  -0.127  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -4.122  -2.108  -0.638  0.00  0.00    +0.078 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -4.575  -0.921  -1.502  0.00  0.00    +0.230 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.344  -1.450  -2.716  0.00  0.00    +0.334 C 
ATOM     13  O   LIG    1       -6.511  -1.242  -3.006  0.00  0.00    -0.248 OA
BRANCH  12  14
ATOM     14  O   LIG    1       -4.573  -2.185  -3.549  0.00  0.00    -0.479 OA
ATOM     15  H   LIG    1       -5.187  -2.430  -4.274  0.00  0.00    +0.295 HD
ENDBRANCH  12  14
ENDBRANCH  11  12
BRANCH  11  16
ATOM     16  O   LIG    1       -5.393  -0.069  -0.689  0.00  0.00    -0.365 OA
BRANCH  16  18
ATOM     17  C   LIG    1       -4.323   2.100  -0.636  0.00  0.00    +0.034 C 
ATOM     18  C   LIG    1       -5.480   1.271  -1.166  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        1.471  -0.584   2.859  0.00  0.00    +0.180 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.069   0.302   1.828  0.00  0.00    +0.102 A 
ATOM     21  C   LIG    1        1.881   1.647   1.586  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        1.052   2.708   2.182  0.00  0.00    +0.088 C 
ATOM     23  O   LIG    1        2.669   1.997   0.526  0.00  0.00    -0.440 OA
ATOM     24  C   LIG    1        3.317   0.838   0.172  0.00  0.00    +0.231 A 
ATOM     25  N   LIG    1        2.987  -0.195   0.925  0.00  0.00    -0.212 NA
BRANCH  24  26
ATOM     26  C   LIG    1        4.238   0.937  -0.967  0.00  0.00    +0.078 A 
ATOM     27  C   LIG    1        5.236  -0.030  -1.212  0.00  0.00    +0.132 A 
ATOM     28  C   LIG    1        6.082   0.112  -2.323  0.00  0.00    +0.046 A 
ATOM     29  C   LIG    1        5.944   1.194  -3.194  0.00  0.00    +0.004 A 
ATOM     30  C   LIG    1        4.964   2.150  -2.963  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        4.120   2.023  -1.860  0.00  0.00    +0.017 A 
BRANCH  27  32
ATOM     32  O   LIG    1        5.348  -1.058  -0.310  0.00  0.00    -0.494 OA
ATOM     33  C   LIG    1        6.177  -2.160  -0.653  0.00  0.00    +0.277 C 
ENDBRANCH  27  32
ENDBRANCH  24  26
ENDBRANCH  19  20
ENDBRANCH   6  19
TORSDOF 10