REMARK  Name = BDB026345
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.172   1.248  -1.296  0.00  0.00    -0.295 NA
ATOM      2  C   LIG    1       -1.218   2.168  -1.798  0.00  0.00    +0.103 C 
ATOM      3  C   LIG    1       -2.514   2.111  -0.957  0.00  0.00    +0.120 C 
ATOM      4  N   LIG    1       -3.040   0.732  -0.905  0.00  0.00    -0.324 N 
ATOM      5  C   LIG    1       -2.022  -0.239  -0.432  0.00  0.00    +0.120 C 
ATOM      6  C   LIG    1       -0.727  -0.128  -1.271  0.00  0.00    +0.103 C 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -4.329   0.516  -0.383  0.00  0.00    +0.085 A 
ATOM      8  C   LIG    1       -5.021  -0.705  -0.556  0.00  0.00    +0.235 A 
ATOM      9  F   LIG    1       -4.439  -1.683  -1.273  0.00  0.00    -0.182 F 
ATOM     10  N   LIG    1       -6.259  -0.995  -0.091  0.00  0.00    -0.213 NA
ATOM     11  C   LIG    1       -6.880   0.000   0.587  0.00  0.00    +0.129 A 
ATOM     12  C   LIG    1       -6.320   1.248   0.812  0.00  0.00    +0.035 A 
ATOM     13  C   LIG    1       -5.038   1.501   0.317  0.00  0.00    +0.030 A 
BRANCH  11  14
ATOM     14  C   LIG    1       -8.251  -0.308   1.109  0.00  0.00    +0.262 C 
ATOM     15  N   LIG    1       -8.714  -1.564   0.780  0.00  0.00    -0.313 N 
ATOM     16  H   LIG    1       -8.056  -2.175   0.302  0.00  0.00    +0.149 HD
ATOM     17  C   LIG    1       -9.953  -2.087   1.288  0.00  0.00    +0.128 C 
ATOM     18  O   LIG    1       -8.877   0.506   1.777  0.00  0.00    -0.269 OA
ENDBRANCH  11  14
ENDBRANCH   4   7
BRANCH   1  19
ATOM     19  C   LIG    1        1.022   1.327  -2.154  0.00  0.00    +0.119 C 
BRANCH  19  29
ATOM     20  C   LIG    1        6.018  -1.082   1.198  0.00  0.00    +0.106 A 
ATOM     21  C   LIG    1        5.372   0.009   2.057  0.00  0.00    +0.271 A 
ATOM     22  O   LIG    1        5.810   0.286   3.163  0.00  0.00    -0.266 OA
ATOM     23  N   LIG    1        4.287   0.637   1.500  0.00  0.00    -0.319 N 
ATOM     24  H   LIG    1        3.840   1.359   2.046  0.00  0.00    +0.169 HD
ATOM     25  C   LIG    1        3.813   0.293   0.231  0.00  0.00    +0.068 A 
ATOM     26  C   LIG    1        4.464  -0.719  -0.489  0.00  0.00    +0.088 A 
ATOM     27  C   LIG    1        3.983  -1.057  -1.754  0.00  0.00    +0.030 A 
ATOM     28  C   LIG    1        2.872  -0.400  -2.292  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        2.220   0.609  -1.568  0.00  0.00    -0.031 A 
ATOM     30  C   LIG    1        2.705   0.956  -0.297  0.00  0.00    +0.032 A 
ATOM     31  N   LIG    1        5.583  -1.405   0.014  0.00  0.00    -0.245 NA
BRANCH  20  32
ATOM     32  C   LIG    1        7.228  -1.787   1.768  0.00  0.00    +0.061 C 
BRANCH  32  34
ATOM     33  C   LIG    1        8.867   0.154   1.658  0.00  0.00    +0.004 C 
ATOM     34  C   LIG    1        8.530  -1.250   1.178  0.00  0.00    +0.003 C 
ENDBRANCH  32  34
ENDBRANCH  20  32
ENDBRANCH  19  29
ENDBRANCH   1  19
TORSDOF 6