REMARK  Name = BDB025059
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.629  -0.692  -0.316  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.630   0.123  -0.875  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        5.081   1.382  -1.506  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        5.819   1.114  -2.828  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.968   2.404  -1.784  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        2.940   2.393  -0.673  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        2.358   1.010  -0.620  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.977   0.784  -0.440  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.034   1.695  -0.285  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.144   1.000  -0.129  0.00  0.00    +0.113 A 
ATOM     11  N   LIG    1       -0.890  -0.356  -0.234  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1        0.477  -0.510  -0.397  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        1.308  -1.629  -0.515  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.680  -1.396  -0.679  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        3.221  -0.104  -0.716  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.832  -0.488  -0.465  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1       -1.830  -1.475  -0.165  0.00  0.00    +0.090 C 
ATOM     18  C   LIG    1       -2.259  -1.783   1.281  0.00  0.00    +0.039 C 
ATOM     19  C   LIG    1       -3.223  -2.974   1.384  0.00  0.00    +0.100 C 
ATOM     20  C   LIG    1       -4.378  -2.873   0.383  0.00  0.00    +0.015 C 
ATOM     21  C   LIG    1       -3.904  -2.611  -1.046  0.00  0.00    +0.003 C 
ATOM     22  C   LIG    1       -3.025  -1.365  -1.124  0.00  0.00    +0.025 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -2.494  -4.295   1.238  0.00  0.00    +0.308 C 
ATOM     24  O   LIG    1       -1.383  -4.471   0.766  0.00  0.00    -0.251 OA
BRANCH  23  25
ATOM     25  O   LIG    1       -3.216  -5.335   1.696  0.00  0.00    -0.480 OA
ATOM     26  H   LIG    1       -2.640  -6.116   1.556  0.00  0.00    +0.295 HD
ENDBRANCH  23  25
ENDBRANCH  19  23
ENDBRANCH  11  17
BRANCH   1  28
ATOM     27  C   LIG    1        6.177  -2.490   1.095  0.00  0.00    +0.282 C 
ATOM     28  O   LIG    1        5.162  -1.699   0.477  0.00  0.00    -0.453 OA
ENDBRANCH   1  28
BRANCH  10  29
ATOM     29  C   LIG    1       -2.479   1.627   0.109  0.00  0.00    +0.097 C 
BRANCH  29  30
ATOM     30  C   LIG    1       -2.347   2.965   0.834  0.00  0.00    +0.151 C 
BRANCH  30  31
ATOM     31  N   LIG    1       -3.641   3.591   1.039  0.00  0.00    -0.270 N 
ATOM     32  N   LIG    1       -4.547   3.007   1.852  0.00  0.00    -0.178 NA
ATOM     33  C   LIG    1       -5.589   3.844   1.808  0.00  0.00    +0.154 A 
ATOM     34  C   LIG    1       -5.353   4.945   0.966  0.00  0.00    +0.078 A 
ATOM     35 CL   LIG    1       -6.420   6.215   0.642  0.00  0.00    -0.080 Cl
ATOM     36  C   LIG    1       -4.085   4.755   0.479  0.00  0.00    +0.128 A 
ENDBRANCH  30  31
ENDBRANCH  29  30
ENDBRANCH  10  29
TORSDOF 7