REMARK  Name = BDB048827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.255   0.486   0.917  0.00  0.00    +0.076 C 
ATOM      2  C   LIG    1       -0.862   0.865   0.852  0.00  0.00    +0.168 C 
ATOM      3  C   LIG    1       -0.162  -0.034  -0.038  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.131  -0.969  -0.443  0.00  0.00    -0.015 A 
ATOM      5  C   LIG    1       -0.758  -1.995  -1.294  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.573  -2.059  -1.730  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.527  -1.107  -1.328  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.157  -0.078  -0.464  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.446  -0.627   0.167  0.00  0.00    -0.024 C 
ENDROOT
BRANCH   2  10
ATOM     10  N   LIG    1       -0.264   1.994   1.485  0.00  0.00    -0.181 N 
ATOM     11  O   LIG    1        0.369   2.959   0.644  0.00  0.00    -0.173 OA
ATOM     12  C   LIG    1       -0.160   2.098   2.936  0.00  0.00    +0.191 C 
ENDBRANCH   2  10
BRANCH   1  13
ATOM     13  C   LIG    1       -3.260   1.234   1.693  0.00  0.00    +0.338 C 
ATOM     14  O   LIG    1       -3.085   1.600   2.845  0.00  0.00    -0.245 OA
BRANCH  13  15
ATOM     15  O   LIG    1       -4.345   1.496   0.928  0.00  0.00    -0.462 OA
BRANCH  15  17
ATOM     16  C   LIG    1       -6.519   2.435   0.624  0.00  0.00    +0.048 C 
ATOM     17  C   LIG    1       -5.361   2.262   1.586  0.00  0.00    +0.229 C 
ENDBRANCH  15  17
ENDBRANCH  13  15
ENDBRANCH   1  13
BRANCH   7  18
ATOM     18  O   LIG    1        2.778  -1.304  -1.848  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.761  -0.307  -1.556  0.00  0.00    +0.229 C 
BRANCH  19  20
ATOM     20  C   LIG    1        5.052  -0.698  -2.273  0.00  0.00    +0.046 C 
BRANCH  20  21
ATOM     21  C   LIG    1        6.147   0.363  -2.155  0.00  0.00    +0.038 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.616   0.595  -0.740  0.00  0.00    -0.047 A 
ATOM     23  C   LIG    1        7.386  -0.371  -0.078  0.00  0.00    +0.003 A 
ATOM     24  C   LIG    1        7.807  -0.162   1.236  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        7.462   1.013   1.901  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1        6.698   1.981   1.252  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        6.277   1.774  -0.063  0.00  0.00    +0.003 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   7  18
BRANCH   9  28
ATOM     28  C   LIG    1       -3.723  -1.413  -0.031  0.00  0.00    +0.020 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -3.594  -2.821   0.597  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -4.923  -3.558   0.719  0.00  0.00    +0.004 C 
ENDBRANCH  28  29
BRANCH  28  31
ATOM     31  C   LIG    1       -4.212  -1.461  -1.497  0.00  0.00    +0.005 C 
ATOM     32  C   LIG    1       -4.368  -0.090  -2.144  0.00  0.00    +0.004 C 
ENDBRANCH  28  31
ENDBRANCH   9  28
TORSDOF 12