REMARK  Name = BDB048109
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.613   0.683   2.122  0.00  0.00    -0.476 OA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.789   0.770   1.405  0.00  0.00    +0.215 A 
ATOM      3  N   LIG    1       -1.753   0.885   0.061  0.00  0.00    -0.221 NA
ATOM      4  C   LIG    1       -2.946   0.967  -0.570  0.00  0.00    +0.118 A 
ATOM      5  C   LIG    1       -4.181   0.943   0.073  0.00  0.00    -0.026 A 
ATOM      6  C   LIG    1       -4.173   0.834   1.465  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -2.960   0.745   2.143  0.00  0.00    +0.067 A 
BRANCH   5   8
ATOM      8  C   LIG    1       -5.468   1.033  -0.713  0.00  0.00    +0.083 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.350  -0.232  -0.684  0.00  0.00    +0.169 C 
ATOM     10  O   LIG    1       -6.964  -0.359   0.615  0.00  0.00    -0.362 OA
ATOM     11  C   LIG    1       -8.333  -0.755   0.460  0.00  0.00    +0.161 C 
ATOM     12  C   LIG    1       -8.570  -0.996  -1.013  0.00  0.00    +0.031 C 
ATOM     13  C   LIG    1       -7.530  -0.108  -1.653  0.00  0.00    +0.049 C 
BRANCH   9  14
ATOM     14  C   LIG    1       -5.533  -1.488  -1.046  0.00  0.00    +0.337 C 
ATOM     15  O   LIG    1       -5.506  -2.549  -0.442  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -4.828  -1.357  -2.193  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -4.357  -2.216  -2.266  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH   9  14
ENDBRANCH   8   9
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  18
ATOM     18  C   LIG    1        0.552   0.642   1.290  0.00  0.00    +0.237 C 
BRANCH  18  19
ATOM     19  C   LIG    1        1.775   0.550   2.197  0.00  0.00    +0.100 C 
BRANCH  19  24
ATOM     20  C   LIG    1        4.731  -0.222   0.390  0.00  0.00    +0.228 A 
ATOM     21  O   LIG    1        4.897   1.139   0.352  0.00  0.00    -0.440 OA
ATOM     22  C   LIG    1        3.813   1.633   1.021  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.716   3.097   1.144  0.00  0.00    +0.088 C 
ATOM     24  C   LIG    1        3.047   0.564   1.435  0.00  0.00    +0.086 A 
ATOM     25  N   LIG    1        3.640  -0.609   1.026  0.00  0.00    -0.214 NA
BRANCH  20  28
ATOM     26  C   LIG    1        7.834  -1.252  -1.518  0.00  0.00    +0.121 A 
ATOM     27  C   LIG    1        6.867  -0.453  -0.901  0.00  0.00    +0.058 A 
ATOM     28  C   LIG    1        5.756  -1.033  -0.262  0.00  0.00    +0.040 A 
ATOM     29  C   LIG    1        5.636  -2.431  -0.253  0.00  0.00    +0.013 A 
ATOM     30  C   LIG    1        6.598  -3.232  -0.866  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1        7.692  -2.641  -1.495  0.00  0.00    +0.045 A 
BRANCH  26  33
ATOM     32  C   LIG    1        9.148   0.603  -2.219  0.00  0.00    +0.277 C 
ATOM     33  O   LIG    1        8.952  -0.804  -2.168  0.00  0.00    -0.495 OA
ENDBRANCH  26  33
ENDBRANCH  20  28
ENDBRANCH  19  24
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 10