REMARK  Name = BDB042698
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.269   0.938  -1.187  0.00  0.00    +0.054 C 
ENDROOT
BRANCH   1  10
ATOM      2  O   LIG    1        4.538  -2.463  -1.655  0.00  0.00    -0.267 OA
ATOM      3  C   LIG    1        4.245  -1.389  -1.143  0.00  0.00    +0.258 A 
ATOM      4  C   LIG    1        5.181  -0.676  -0.253  0.00  0.00    +0.065 A 
ATOM      5  C   LIG    1        4.790   0.541   0.293  0.00  0.00    +0.078 A 
ATOM      6  N   LIG    1        5.577   1.272   1.119  0.00  0.00    -0.255 NA
ATOM      7  C   LIG    1        6.797   0.758   1.403  0.00  0.00    +0.111 A 
ATOM      8  C   LIG    1        7.268  -0.448   0.903  0.00  0.00    +0.020 A 
ATOM      9  C   LIG    1        3.474   1.096  -0.012  0.00  0.00    +0.049 A 
ATOM     10  C   LIG    1        2.637   0.424  -0.818  0.00  0.00    +0.021 A 
ATOM     11  C   LIG    1        6.442  -1.182   0.056  0.00  0.00    +0.017 A 
ATOM     12  N   LIG    1        3.028  -0.780  -1.365  0.00  0.00    -0.326 N 
ATOM     13  H   LIG    1        2.397  -1.287  -1.976  0.00  0.00    +0.169 HD
ENDBRANCH   1  10
BRANCH   1  14
ATOM     14  C   LIG    1        0.148   0.127  -0.530  0.00  0.00    +0.021 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.228   0.697  -0.901  0.00  0.00    +0.085 C 
BRANCH  15  16
ATOM     16  N   LIG    1       -2.315  -0.141  -0.375  0.00  0.00    -0.296 NA
ATOM     17  C   LIG    1       -3.631   0.231  -0.934  0.00  0.00    +0.059 C 
ATOM     18  C   LIG    1       -4.560  -0.979  -0.712  0.00  0.00    +0.050 C 
ATOM     19  C   LIG    1       -4.658  -1.407   0.758  0.00  0.00    +0.117 C 
ATOM     20  C   LIG    1       -3.347  -1.216   1.532  0.00  0.00    +0.050 C 
ATOM     21  C   LIG    1       -4.063   1.462  -0.134  0.00  0.00    +0.020 C 
ATOM     22  C   LIG    1       -3.346   1.319   1.206  0.00  0.00    +0.020 C 
ATOM     23  C   LIG    1       -2.546   0.020   1.077  0.00  0.00    +0.059 C 
BRANCH  19  24
ATOM     24  O   LIG    1       -5.694  -0.667   1.410  0.00  0.00    -0.392 OA
ATOM     25  H   LIG    1       -6.535  -0.910   0.985  0.00  0.00    +0.210 HD
ENDBRANCH  19  24
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH   1  14
TORSDOF 5