REMARK  Name = BDB063234
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.646  -0.181  -0.774  0.00  0.00    +0.147 A 
ATOM      2  N   LIG    1       -0.641   0.184  -0.618  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -1.571  -0.796  -0.551  0.00  0.00    +0.258 A 
ATOM      4  N   LIG    1       -1.246  -2.094  -0.661  0.00  0.00    -0.110 NA
ATOM      5  N   LIG    1        0.047  -2.471  -0.847  0.00  0.00    -0.151 NA
ATOM      6  C   LIG    1        0.981  -1.511  -0.909  0.00  0.00    +0.178 A 
ENDROOT
BRANCH   3   7
ATOM      7  N   LIG    1       -2.944  -0.431  -0.392  0.00  0.00    -0.263 N 
ATOM      8  C   LIG    1       -3.435   0.880  -0.493  0.00  0.00    +0.076 A 
ATOM      9  C   LIG    1       -4.812   0.760  -0.353  0.00  0.00    +0.090 A 
ATOM     10  C   LIG    1       -5.636   1.895  -0.426  0.00  0.00    +0.030 A 
ATOM     11  C   LIG    1       -5.054   3.146  -0.642  0.00  0.00    +0.002 A 
ATOM     12  C   LIG    1       -3.675   3.263  -0.785  0.00  0.00    +0.002 A 
ATOM     13  N   LIG    1       -5.172  -0.532  -0.146  0.00  0.00    -0.232 NA
ATOM     14  C   LIG    1       -2.842   2.139  -0.717  0.00  0.00    +0.028 A 
ATOM     15  C   LIG    1       -4.056  -1.239  -0.132  0.00  0.00    +0.121 A 
BRANCH  15  16
ATOM     16  C   LIG    1       -4.259  -2.751   0.249  0.00  0.00    +0.056 C 
ATOM     17  C   LIG    1       -3.249  -3.603   0.951  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -3.622  -3.889  -0.485  0.00  0.00    +0.012 C 
ENDBRANCH  15  16
ENDBRANCH   3   7
BRANCH   1  19
ATOM     19  N   LIG    1        1.574   0.860  -0.847  0.00  0.00    -0.298 N 
ATOM     20  H   LIG    1        1.087   1.750  -0.788  0.00  0.00    +0.154 HD
BRANCH  19  24
ATOM     21  C   LIG    1        5.659   1.199   0.216  0.00  0.00    +0.127 A 
ATOM     22  C   LIG    1        5.045   2.126  -0.626  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        3.693   1.999  -0.959  0.00  0.00    +0.027 A 
ATOM     24  C   LIG    1        2.919   0.948  -0.450  0.00  0.00    +0.033 A 
ATOM     25  C   LIG    1        3.542   0.030   0.402  0.00  0.00    +0.027 A 
ATOM     26  C   LIG    1        4.898   0.156   0.739  0.00  0.00    +0.047 A 
BRANCH  21  27
ATOM     27  O   LIG    1        6.980   1.439   0.465  0.00  0.00    -0.434 OA
BRANCH  27  29
ATOM     28  F   LIG    1        9.026   0.738   1.030  0.00  0.00    -0.166 F 
ATOM     29  C   LIG    1        7.718   0.377   1.046  0.00  0.00    +0.541 C 
ATOM     30  F   LIG    1        7.367   0.249   2.349  0.00  0.00    -0.166 F 
ENDBRANCH  27  29
ENDBRANCH  21  27
ENDBRANCH  19  24
ENDBRANCH   1  19
TORSDOF 6