REMARK  Name = BDB027525
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.400  -3.211   0.683  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.141  -2.886   1.186  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.376  -1.519   1.324  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.895  -1.416   1.053  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -2.641  -2.455   1.903  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1       -2.092  -3.855   1.639  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.593  -3.924   1.905  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        1.826  -4.360   0.589  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        4.006  -0.113  -0.702  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        3.676  -0.199   0.654  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        2.825  -1.209   1.115  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        2.287  -2.128   0.212  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        2.627  -2.071  -1.139  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        3.480  -1.061  -1.593  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        5.464   1.925  -0.578  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1        4.857   0.872  -1.245  0.00  0.00    -0.286 N 
ATOM     17  H   LIG    1        5.035   0.805  -2.239  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        5.350   2.198   0.611  0.00  0.00    -0.275 OA
BRANCH  15  20
ATOM     19  C   LIG    1        7.010   3.912  -0.821  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        6.323   2.753  -1.522  0.00  0.00    +0.093 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.364  -0.071   1.384  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.663   0.664   1.370  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.399   0.420   0.602  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -3.361   1.740   0.376  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -4.338   2.284  -0.362  0.00  0.00    +0.079 A 
ATOM     26  C   LIG    1       -5.376   1.521  -0.905  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -6.395   2.113  -1.679  0.00  0.00    +0.014 A 
ATOM     28  C   LIG    1       -6.370   3.484  -1.912  0.00  0.00    +0.039 A 
ATOM     29  C   LIG    1       -5.338   4.239  -1.374  0.00  0.00    +0.125 A 
ATOM     30  F   LIG    1       -5.307   5.560  -1.594  0.00  0.00    -0.205 F 
ATOM     31  C   LIG    1       -5.313   0.169  -0.620  0.00  0.00    +0.124 A 
ATOM     32  C   LIG    1       -4.335   3.649  -0.609  0.00  0.00    +0.066 A 
ATOM     33  N   LIG    1       -4.341  -0.396   0.119  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5