REMARK  Name = BDB039689
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.039   0.859   1.301  0.00  0.00    -0.292 NA
ATOM      2  C   LIG    1       -0.085   0.987  -0.161  0.00  0.00    +0.077 C 
ATOM      3  C   LIG    1       -1.581   0.769  -0.586  0.00  0.00    +0.091 C 
ATOM      4  C   LIG    1       -1.793   2.293  -0.429  0.00  0.00    +0.025 C 
ATOM      5  N   LIG    1       -2.384  -0.005   0.349  0.00  0.00    -0.323 N 
ATOM      6  C   LIG    1       -1.623  -1.064   1.044  0.00  0.00    +0.121 C 
ATOM      7  C   LIG    1       -0.269   2.469  -0.570  0.00  0.00    +0.022 C 
ATOM      8  C   LIG    1       -0.327  -0.510   1.697  0.00  0.00    +0.104 C 
ENDROOT
BRANCH   5   9
ATOM      9  C   LIG    1       -3.773  -0.208   0.198  0.00  0.00    +0.048 A 
ATOM     10  C   LIG    1       -4.466   0.167  -0.963  0.00  0.00    +0.134 A 
ATOM     11  N   LIG    1       -5.800   0.023  -1.179  0.00  0.00    -0.249 NA
ATOM     12  C   LIG    1       -6.512  -0.519  -0.156  0.00  0.00    +0.125 A 
ATOM     13  C   LIG    1       -5.948  -0.901   1.050  0.00  0.00    +0.035 A 
ATOM     14  C   LIG    1       -4.572  -0.734   1.222  0.00  0.00    +0.027 A 
BRANCH  12  15
ATOM     15  C   LIG    1       -7.986  -0.678  -0.380  0.00  0.00    +0.262 C 
ATOM     16  N   LIG    1       -8.414  -0.279  -1.628  0.00  0.00    -0.313 N 
ATOM     17  H   LIG    1       -7.712   0.165  -2.215  0.00  0.00    +0.149 HD
ATOM     18  C   LIG    1       -9.804  -0.228  -1.987  0.00  0.00    +0.128 C 
ATOM     19  O   LIG    1       -8.724  -1.119   0.494  0.00  0.00    -0.269 OA
ENDBRANCH  12  15
ENDBRANCH   5   9
BRANCH   1  20
ATOM     20  C   LIG    1        1.323   1.312   1.848  0.00  0.00    +0.121 C 
BRANCH  20  30
ATOM     21  C   LIG    1        6.719  -1.038  -0.987  0.00  0.00    +0.054 A 
ATOM     22  C   LIG    1        6.216   0.115  -1.793  0.00  0.00    +0.255 A 
ATOM     23  O   LIG    1        6.783   0.487  -2.815  0.00  0.00    -0.268 OA
ATOM     24  N   LIG    1        5.085   0.750  -1.348  0.00  0.00    -0.320 N 
ATOM     25  H   LIG    1        4.769   1.530  -1.909  0.00  0.00    +0.169 HD
ATOM     26  C   LIG    1        4.388   0.363  -0.199  0.00  0.00    +0.071 A 
ATOM     27  C   LIG    1        4.838  -0.716   0.557  0.00  0.00    +0.123 A 
ATOM     28  N   LIG    1        4.217  -1.144   1.679  0.00  0.00    -0.250 NA
ATOM     29  C   LIG    1        3.107  -0.467   2.054  0.00  0.00    +0.116 A 
ATOM     30  C   LIG    1        2.571   0.616   1.359  0.00  0.00    -0.013 A 
ATOM     31  C   LIG    1        3.244   1.040   0.206  0.00  0.00    +0.034 A 
ATOM     32  C   LIG    1        6.042  -1.415   0.110  0.00  0.00    +0.159 A 
ATOM     33  F   LIG    1        6.479  -2.465   0.842  0.00  0.00    -0.203 F 
BRANCH  21  35
ATOM     34  C   LIG    1        9.225  -0.989  -1.131  0.00  0.00    +0.009 C 
ATOM     35  C   LIG    1        7.950  -1.745  -1.478  0.00  0.00    +0.040 C 
ENDBRANCH  21  35
ENDBRANCH  20  30
ENDBRANCH   1  20
TORSDOF 5