REMARK  Name = BDB005222
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.779  -0.523  -2.275  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1        1.685  -0.586  -0.753  0.00  0.00    +0.104 C 
ATOM      3  N   LIG    1        1.649   0.730  -0.113  0.00  0.00    -0.288 N 
ATOM      4  C   LIG    1        2.705   0.885   0.789  0.00  0.00    +0.248 C 
ATOM      5  O   LIG    1        2.863   1.816   1.558  0.00  0.00    -0.270 OA
ATOM      6  C   LIG    1        3.566  -0.306   0.714  0.00  0.00    +0.054 A 
ATOM      7  C   LIG    1        4.744  -0.647   1.371  0.00  0.00    +0.049 A 
ATOM      8  C   LIG    1        5.262  -1.933   1.111  0.00  0.00    +0.014 A 
ATOM      9  C   LIG    1        4.626  -2.827   0.235  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1        3.451  -2.459  -0.412  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.934  -1.193  -0.171  0.00  0.00    -0.014 A 
ENDROOT
BRANCH   3  12
ATOM     12  C   LIG    1        0.426   1.534   0.068  0.00  0.00    +0.079 C 
ATOM     13  C   LIG    1       -0.337   1.863  -1.219  0.00  0.00    +0.038 C 
ATOM     14  C   LIG    1       -1.564   0.970  -1.381  0.00  0.00    +0.086 C 
ATOM     15  N   LIG    1       -2.537   1.157  -0.293  0.00  0.00    -0.299 NA
ATOM     16  C   LIG    1       -1.914   1.452   1.008  0.00  0.00    +0.086 C 
ATOM     17  C   LIG    1       -0.490   0.921   1.139  0.00  0.00    +0.038 C 
BRANCH  15  18
ATOM     18  C   LIG    1       -3.537   0.080  -0.233  0.00  0.00    +0.057 C 
ATOM     19  C   LIG    1       -4.212  -0.241  -1.575  0.00  0.00    +0.019 C 
ATOM     20  C   LIG    1       -5.435  -1.062  -1.188  0.00  0.00    +0.002 C 
ATOM     21  C   LIG    1       -5.832  -0.578   0.204  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -4.762   0.426   0.626  0.00  0.00    +0.019 C 
ENDBRANCH  15  18
ENDBRANCH   3  12
BRANCH   7  23
ATOM     23  C   LIG    1        5.534   0.190   2.319  0.00  0.00    +0.242 C 
ATOM     24  O   LIG    1        6.455  -0.299   2.966  0.00  0.00    -0.270 OA
ATOM     25  N   LIG    1        5.254   1.514   2.460  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1        4.373   1.924   2.153  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1        5.740   2.004   3.199  0.00  0.00    +0.145 HD
ENDBRANCH   7  23
TORSDOF 3