REMARK  Name = BDB048726
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.825   0.763  -1.358  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        2.016  -0.604  -1.107  0.00  0.00    +0.009 A 
ATOM      3  C   LIG    1        1.111  -1.562  -1.588  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1       -0.011  -1.165  -2.308  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.181   0.186  -2.605  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1        0.718   1.143  -2.130  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  10
ATOM      7  C   LIG    1        3.122   0.973   2.944  0.00  0.00    +0.059 C 
ATOM      8  C   LIG    1        3.431   1.217   1.486  0.00  0.00    +0.026 C 
ATOM      9  C   LIG    1        2.571   2.164   0.685  0.00  0.00    +0.164 C 
ATOM     10  C   LIG    1        2.740   1.848  -0.799  0.00  0.00    +0.124 C 
ATOM     11  N   LIG    1        4.121   1.572  -1.100  0.00  0.00    -0.290 N 
ATOM     12  H   LIG    1        4.439   1.575  -2.060  0.00  0.00    +0.151 HD
ATOM     13  C   LIG    1        4.933   0.878  -0.256  0.00  0.00    +0.324 C 
ATOM     14  O   LIG    1        6.016   0.481  -0.672  0.00  0.00    -0.251 OA
ATOM     15  N   LIG    1        4.499   0.647   1.017  0.00  0.00    -0.172 NA
BRANCH   9  16
ATOM     16  C   LIG    1        1.112   2.285   1.016  0.00  0.00    +0.315 C 
ATOM     17  O   LIG    1        0.405   3.220   0.669  0.00  0.00    -0.250 OA
BRANCH  16  18
ATOM     18  O   LIG    1        0.602   1.242   1.686  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1       -0.381   1.374   1.730  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH   9  16
ENDBRANCH   1  10
BRANCH   4  20
ATOM     20  O   LIG    1       -1.008  -1.975  -2.768  0.00  0.00    -0.489 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -1.145  -3.294  -2.232  0.00  0.00    +0.270 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -1.549  -3.334  -0.753  0.00  0.00    +0.270 C 
BRANCH  22  23
ATOM     23  O   LIG    1       -2.786  -2.632  -0.534  0.00  0.00    -0.488 OA
BRANCH  23  24
ATOM     24  C   LIG    1       -2.625  -1.539   0.287  0.00  0.00    +0.131 A 
ATOM     25  C   LIG    1       -2.977  -0.265  -0.190  0.00  0.00    +0.042 A 
ATOM     26  C   LIG    1       -2.699   0.830   0.651  0.00  0.00    +0.075 A 
ATOM     27  C   LIG    1       -2.998   2.107   0.193  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1       -3.579   2.326  -1.059  0.00  0.00    +0.002 A 
ATOM     29  C   LIG    1       -3.869   1.248  -1.884  0.00  0.00    +0.001 A 
ATOM     30  N   LIG    1       -2.139   0.689   1.871  0.00  0.00    -0.252 NA
ATOM     31  C   LIG    1       -1.924  -0.566   2.344  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -1.390  -0.692   3.741  0.00  0.00    +0.066 C 
ATOM     33  C   LIG    1       -3.568  -0.043  -1.454  0.00  0.00    +0.013 A 
ATOM     34  C   LIG    1       -2.152  -1.700   1.585  0.00  0.00    +0.069 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 8