REMARK  Name = BDB064827
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.887   0.106  -1.184  0.00  0.00    +0.095 C 
ATOM      2  C   LIG    1       -1.949  -0.553  -0.374  0.00  0.00    +0.120 C 
ATOM      3  C   LIG    1       -3.101   0.366  -0.738  0.00  0.00    +0.220 C 
ATOM      4  C   LIG    1       -4.394  -0.442  -0.859  0.00  0.00    +0.266 C 
ATOM      5  O   LIG    1       -4.829  -0.907  -1.909  0.00  0.00    -0.271 OA
ATOM      6  N   LIG    1       -5.077  -0.656   0.318  0.00  0.00    -0.253 N 
ATOM      7  H   LIG    1       -5.939  -1.175   0.209  0.00  0.00    +0.158 HD
ATOM      8  C   LIG    1       -5.049   0.157   1.422  0.00  0.00    +0.219 C 
ATOM      9  O   LIG    1       -5.956   0.131   2.249  0.00  0.00    -0.275 OA
ATOM     10  C   LIG    1       -3.841   1.048   1.579  0.00  0.00    +0.100 C 
ATOM     11  C   LIG    1       -3.325   1.529   0.233  0.00  0.00    +0.070 C 
ATOM     12  O   LIG    1       -2.735   0.910  -2.013  0.00  0.00    -0.377 OA
ATOM     13  N   LIG    1       -1.321   0.899  -2.111  0.00  0.00    -0.088 NA
ENDROOT
BRANCH   1  17
ATOM     14  C   LIG    1        3.261  -0.872  -0.748  0.00  0.00    +0.165 A 
ATOM     15  C   LIG    1        2.508  -0.529   0.394  0.00  0.00    +0.204 A 
ATOM     16  C   LIG    1        1.149  -0.185   0.264  0.00  0.00    +0.174 A 
ATOM     17  C   LIG    1        0.541  -0.192  -0.995  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        1.302  -0.470  -2.132  0.00  0.00    +0.017 A 
ATOM     19  C   LIG    1        2.652  -0.810  -2.008  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        5.274  -1.782  -1.666  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        4.560  -1.262  -0.552  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        2.994  -0.578   1.681  0.00  0.00    -0.488 OA
ATOM     23  C   LIG    1        4.261   0.047   1.867  0.00  0.00    +0.277 C 
ENDBRANCH  15  22
BRANCH  16  24
ATOM     24  O   LIG    1        0.407   0.149   1.373  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        0.646   1.509   1.740  0.00  0.00    +0.277 C 
ENDBRANCH  16  24
ENDBRANCH   1  17
TORSDOF 4