REMARK  Name = BDB065227
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.465  -1.105   1.549  0.00  0.00    +0.164 A 
ATOM      2  C   LIG    1       -4.447  -2.067   1.644  0.00  0.00    +0.162 A 
ATOM      3  C   LIG    1       -3.154  -1.723   1.247  0.00  0.00    +0.062 A 
ATOM      4  C   LIG    1       -2.863  -0.425   0.752  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -3.883   0.517   0.642  0.00  0.00    +0.082 A 
ATOM      6  N   LIG    1       -3.680   1.746   0.162  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -2.449   2.090  -0.238  0.00  0.00    +0.220 A 
ATOM      8  N   LIG    1       -1.409   1.249  -0.159  0.00  0.00    -0.199 NA
ATOM      9  C   LIG    1       -1.599   0.017   0.337  0.00  0.00    +0.132 A 
ATOM     10  C   LIG    1       -5.165   0.166   1.046  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   7  11
ATOM     11  N   LIG    1       -2.234   3.381  -0.728  0.00  0.00    -0.306 N 
ATOM     12  C   LIG    1       -1.027   3.527  -1.525  0.00  0.00    +0.132 C 
ATOM     13  C   LIG    1       -3.430   4.043  -1.220  0.00  0.00    +0.132 C 
ENDBRANCH   7  11
BRANCH   1  15
ATOM     14  C   LIG    1       -7.761  -0.546   1.910  0.00  0.00    +0.277 C 
ATOM     15  O   LIG    1       -6.713  -1.503   1.962  0.00  0.00    -0.491 OA
ENDBRANCH   1  15
BRANCH   2  16
ATOM     16  O   LIG    1       -4.812  -3.294   2.134  0.00  0.00    -0.491 OA
ATOM     17  C   LIG    1       -3.825  -4.315   2.162  0.00  0.00    +0.277 C 
ENDBRANCH   2  16
BRANCH   9  18
ATOM     18  N   LIG    1       -0.493  -0.865   0.442  0.00  0.00    -0.326 N 
ATOM     19  H   LIG    1       -0.423  -1.119   1.425  0.00  0.00    +0.148 HD
BRANCH  18  20
ATOM     20  C   LIG    1        0.797  -0.353  -0.056  0.00  0.00    +0.074 C 
ATOM     21  C   LIG    1        0.859  -0.412  -1.583  0.00  0.00    +0.037 C 
ATOM     22  C   LIG    1        2.202   0.126  -2.089  0.00  0.00    +0.086 C 
ATOM     23  N   LIG    1        3.318  -0.092  -1.153  0.00  0.00    -0.298 NA
ATOM     24  C   LIG    1        3.143  -1.334  -0.402  0.00  0.00    +0.086 C 
ATOM     25  C   LIG    1        1.931  -1.219   0.530  0.00  0.00    +0.037 C 
BRANCH  23  26
ATOM     26  C   LIG    1        4.606  -0.031  -1.864  0.00  0.00    +0.119 C 
BRANCH  26  27
ATOM     27  C   LIG    1        5.798   0.104  -0.939  0.00  0.00    -0.033 A 
ATOM     28  C   LIG    1        6.870  -0.797  -1.021  0.00  0.00    +0.005 A 
ATOM     29  C   LIG    1        7.975  -0.660  -0.179  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        8.024   0.379   0.748  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        6.968   1.284   0.836  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        5.862   1.149  -0.005  0.00  0.00    +0.005 A 
ENDBRANCH  26  27
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   9  18
TORSDOF 7