REMARK  Name = BDB053802
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.651  -0.083  -0.226  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        0.738  -1.049   0.198  0.00  0.00    +0.047 A 
ATOM      3  C   LIG    1       -0.639  -0.796   0.176  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1       -1.122   0.429  -0.279  0.00  0.00    +0.035 A 
ATOM      5  C   LIG    1       -0.203   1.400  -0.698  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1        1.175   1.146  -0.675  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -2.490   0.772  -0.324  0.00  0.00    -0.269 N 
ATOM      8  H   LIG    1       -2.704   1.684  -0.696  0.00  0.00    +0.156 HD
ATOM      9  C   LIG    1       -3.578  -0.065  -0.114  0.00  0.00    +0.308 C 
ATOM     10  N   LIG    1       -4.752   0.677  -0.119  0.00  0.00    -0.269 N 
ATOM     11  H   LIG    1       -4.644   1.672  -0.002  0.00  0.00    +0.156 HD
ATOM     12  O   LIG    1       -3.512  -1.276   0.049  0.00  0.00    -0.252 OA
BRANCH  10  13
ATOM     13  C   LIG    1       -6.075   0.192  -0.053  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -7.097   1.137   0.108  0.00  0.00    +0.023 A 
ATOM     15  C   LIG    1       -8.435   0.739   0.171  0.00  0.00    +0.002 A 
ATOM     16  C   LIG    1       -8.765  -0.610   0.068  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -7.757  -1.556  -0.101  0.00  0.00    +0.002 A 
ATOM     18  C   LIG    1       -6.418  -1.157  -0.164  0.00  0.00    +0.023 A 
ENDBRANCH  10  13
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  O   LIG    1        2.962  -0.463  -0.151  0.00  0.00    -0.492 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.942   0.493  -0.551  0.00  0.00    +0.229 C 
BRANCH  20  21
ATOM     21  C   LIG    1        5.331  -0.124  -0.384  0.00  0.00    +0.041 C 
BRANCH  21  22
ATOM     22  C   LIG    1        5.644  -0.459   1.080  0.00  0.00    +0.014 C 
BRANCH  22  23
ATOM     23  C   LIG    1        7.022  -1.090   1.250  0.00  0.00    +0.120 C 
BRANCH  23  25
ATOM     24  O   LIG    1        8.805   0.001   0.008  0.00  0.00    -0.251 OA
ATOM     25  C   LIG    1        8.129  -0.102   1.018  0.00  0.00    +0.305 C 
BRANCH  25  26
ATOM     26  O   LIG    1        8.319   0.727   2.061  0.00  0.00    -0.481 OA
ATOM     27  H   LIG    1        9.058   1.304   1.777  0.00  0.00    +0.295 HD
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH   1  19
TORSDOF 9