REMARK  Name = BDB006081
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -7.588   0.087   1.909  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1       -6.516  -0.226   1.405  0.00  0.00    +0.273 A 
ATOM      3  C   LIG    1       -5.740   0.736   0.610  0.00  0.00    +0.053 A 
ATOM      4  C   LIG    1       -4.539   0.311   0.072  0.00  0.00    +0.057 A 
ATOM      5  C   LIG    1       -3.723   1.148  -0.699  0.00  0.00    +0.077 A 
ATOM      6  N   LIG    1       -2.490   0.722  -1.250  0.00  0.00    -0.232 NA
ATOM      7  C   LIG    1       -2.125  -0.511  -1.012  0.00  0.00    +0.123 A 
ATOM      8  N   LIG    1       -2.894  -1.379  -0.267  0.00  0.00    -0.325 N 
ATOM      9  H   LIG    1       -2.567  -2.323  -0.112  0.00  0.00    +0.169 HD
ATOM     10  C   LIG    1       -4.158   2.455  -0.920  0.00  0.00    +0.028 A 
ATOM     11  C   LIG    1       -5.374   2.903  -0.383  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.093  -1.064   0.311  0.00  0.00    +0.162 A 
ATOM     13  N   LIG    1       -4.779  -1.915   1.015  0.00  0.00    -0.153 NA
ATOM     14  C   LIG    1       -6.168   2.045   0.384  0.00  0.00    +0.014 A 
ATOM     15  N   LIG    1       -5.966  -1.484   1.544  0.00  0.00    -0.241 N 
ATOM     16  H   LIG    1       -6.491  -2.160   2.090  0.00  0.00    +0.192 HD
ENDROOT
BRANCH   7  17
ATOM     17  C   LIG    1       -0.795  -1.015  -1.578  0.00  0.00    +0.158 C 
BRANCH  17  18
ATOM     18  N   LIG    1        0.357  -0.722  -0.718  0.00  0.00    -0.293 NA
ATOM     19  C   LIG    1        0.619   0.710  -0.527  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1        1.995   0.979   0.147  0.00  0.00    +0.100 C 
ATOM     21  N   LIG    1        2.541  -0.111   0.992  0.00  0.00    -0.296 NA
ATOM     22  C   LIG    1        1.424  -0.875   1.575  0.00  0.00    +0.100 C 
ATOM     23  C   LIG    1        0.398  -1.448   0.557  0.00  0.00    +0.100 C 
BRANCH  21  24
ATOM     24  C   LIG    1        3.436  -0.997   0.224  0.00  0.00    +0.119 C 
BRANCH  24  25
ATOM     25  C   LIG    1        4.779  -0.364  -0.083  0.00  0.00    -0.033 A 
ATOM     26  C   LIG    1        5.265  -0.326  -1.398  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1        6.511   0.238  -1.678  0.00  0.00    +0.000 A 
ATOM     28  C   LIG    1        7.287   0.765  -0.647  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        6.819   0.729   0.665  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.573   0.166   0.946  0.00  0.00    +0.005 A 
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH   7  17
TORSDOF 4