REMARK  Name = BDB025247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.119  -0.649   0.616  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1       -4.850  -1.252   0.529  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1       -4.883  -2.720   0.381  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1       -5.359  -3.118  -1.027  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1       -3.559  -3.393   0.732  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1       -2.438  -2.792  -0.087  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1       -2.402  -1.305   0.123  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.173  -0.616  -0.003  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1        0.057  -1.113  -0.343  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1        0.895  -0.094  -0.328  0.00  0.00    +0.114 A 
ATOM     11  N   LIG    1        0.238   1.069   0.034  0.00  0.00    -0.324 N 
ATOM     12  C   LIG    1       -1.093   0.745   0.246  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1       -2.209   1.479   0.643  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1       -3.430   0.792   0.745  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1       -3.574  -0.573   0.449  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1       -7.146  -1.282   0.859  0.00  0.00    -0.226 OA
ENDROOT
BRANCH  11  17
ATOM     17  C   LIG    1        0.784   2.414   0.192  0.00  0.00    +0.091 C 
ATOM     18  C   LIG    1        1.294   3.025  -1.119  0.00  0.00    +0.040 C 
ATOM     19  C   LIG    1        1.859   4.422  -0.879  0.00  0.00    +0.083 C 
ATOM     20  N   LIG    1        2.878   4.401   0.168  0.00  0.00    -0.316 NA
ATOM     21  H   LIG    1        3.269   5.338   0.278  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1        2.332   3.952   1.447  0.00  0.00    +0.083 C 
ATOM     23  C   LIG    1        1.798   2.527   1.339  0.00  0.00    +0.040 C 
ENDBRANCH  11  17
BRANCH   1  25
ATOM     24  C   LIG    1       -7.453   1.267   0.360  0.00  0.00    +0.282 C 
ATOM     25  O   LIG    1       -6.150   0.682   0.334  0.00  0.00    -0.453 OA
ENDBRANCH   1  25
BRANCH  10  26
ATOM     26  C   LIG    1        2.361  -0.236  -0.656  0.00  0.00    +0.056 C 
ATOM     27  C   LIG    1        2.517  -0.729  -2.100  0.00  0.00    +0.016 C 
BRANCH  26  28
ATOM     28  C   LIG    1        3.021  -1.198   0.353  0.00  0.00    +0.049 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.512  -1.215   0.274  0.00  0.00    -0.009 A 
ATOM     30  C   LIG    1        5.328  -2.211  -0.221  0.00  0.00    +0.111 A 
ATOM     31  N   LIG    1        6.609  -1.767  -0.076  0.00  0.00    -0.274 N 
ATOM     32  C   LIG    1        7.817  -2.460  -0.450  0.00  0.00    +0.172 C 
ATOM     33  N   LIG    1        6.691  -0.547   0.483  0.00  0.00    -0.180 NA
ATOM     34  C   LIG    1        5.416  -0.214   0.699  0.00  0.00    +0.138 A 
ENDBRANCH  28  29
ENDBRANCH  26  28
ENDBRANCH  10  26
TORSDOF 5