REMARK  Name = BDB048803
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.048  -2.536  -0.606  0.00  0.00    -0.036 A 
ATOM      2  C   LIG    1       -1.806  -1.968  -0.269  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1       -1.710  -0.586   0.004  0.00  0.00    +0.004 A 
ATOM      4  C   LIG    1       -2.868   0.183  -0.067  0.00  0.00    +0.047 A 
ATOM      5  N   LIG    1       -2.510   1.474   0.233  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1       -3.153   2.252   0.273  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1       -1.163   1.566   0.491  0.00  0.00    +0.051 A 
ATOM      8  C   LIG    1       -4.119  -0.353  -0.389  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.631   0.289   0.361  0.00  0.00    -0.014 A 
ATOM     10  C   LIG    1       -4.188  -1.725  -0.654  0.00  0.00    +0.006 A 
ENDROOT
BRANCH   7  11
ATOM     11  C   LIG    1       -0.535   2.839   0.829  0.00  0.00    -0.001 A 
ATOM     12  C   LIG    1       -0.535   3.893  -0.092  0.00  0.00    +0.010 A 
ATOM     13  C   LIG    1        0.066   5.112   0.229  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1        0.670   5.285   1.474  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1        0.674   4.240   2.397  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        0.073   3.021   2.075  0.00  0.00    +0.010 A 
ENDBRANCH   7  11
BRANCH   1  17
ATOM     17  C   LIG    1       -3.152  -4.016  -0.890  0.00  0.00    +0.155 C 
BRANCH  17  19
ATOM     18  O   LIG    1       -3.953  -4.468   1.393  0.00  0.00    -0.251 OA
ATOM     19  C   LIG    1       -3.564  -4.845   0.302  0.00  0.00    +0.309 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -3.485  -6.169   0.040  0.00  0.00    -0.480 OA
ATOM     21  H   LIG    1       -3.780  -6.585   0.878  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   1  17
BRANCH   9  22
ATOM     22  C   LIG    1        0.806  -0.107   0.528  0.00  0.00    +0.042 C 
BRANCH  22  23
ATOM     23  C   LIG    1        1.625   0.157  -0.739  0.00  0.00    +0.040 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.078  -0.199  -0.548  0.00  0.00    -0.047 A 
ATOM     25  C   LIG    1        3.551  -1.474  -0.886  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1        4.892  -1.804  -0.689  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1        5.771  -0.867  -0.148  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        5.309   0.402   0.197  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        3.968   0.735   0.001  0.00  0.00    +0.003 A 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   9  22
TORSDOF 7