REMARK  Name = BDB025004
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.563  -0.252  -0.398  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.615  -0.962   0.359  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.965  -2.286   0.933  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.988  -2.147   2.074  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.777  -3.091   1.484  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.564  -2.931   0.596  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.216  -1.472   0.571  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.878  -1.027   0.628  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.270  -1.767   0.741  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.267  -0.905   0.753  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.796   0.393   0.651  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.584   0.329   0.569  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.587   1.294   0.457  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.913   0.845   0.393  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.248  -0.515   0.441  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        5.388   0.826  -0.958  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.606   1.612   0.618  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -1.545   2.312  -0.751  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -2.416   3.575  -0.795  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -2.260   4.476   0.442  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -1.152   4.018   1.385  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -1.320   2.559   1.802  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -3.858   3.196  -1.065  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -4.400   3.192  -2.159  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -4.529   2.786   0.026  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -5.398   2.499  -0.327  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        7.744  -0.254  -1.284  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        6.752  -0.920  -0.501  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.706  -1.315   0.862  0.00  0.00    +0.106 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -3.342  -1.520  -0.522  0.00  0.00    +0.125 C 
ATOM     31  O   LIG    1       -3.706  -0.239  -1.056  0.00  0.00    -0.376 OA
ATOM     32  C   LIG    1       -4.504  -0.269  -2.243  0.00  0.00    +0.160 C 
ATOM     33  C   LIG    1       -4.707  -1.652  -2.841  0.00  0.00    +0.028 C 
ATOM     34  C   LIG    1       -5.219  -2.635  -1.795  0.00  0.00    +0.005 C 
ATOM     35  C   LIG    1       -4.594  -2.396  -0.420  0.00  0.00    +0.032 C 
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 6