REMARK  Name = BDB046875
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.396  -0.412  -0.403  0.00  0.00    -0.011 A 
ATOM      2  C   LIG    1        2.731   0.722  -0.895  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.336   0.795  -0.776  0.00  0.00    +0.090 A 
ATOM      4  N   LIG    1        0.485   1.792  -1.167  0.00  0.00    -0.232 NA
ATOM      5  C   LIG    1       -0.724   1.408  -0.810  0.00  0.00    +0.111 A 
ATOM      6  N   LIG    1       -0.683   0.147  -0.248  0.00  0.00    -0.326 N 
ATOM      7  C   LIG    1        0.637  -0.248  -0.179  0.00  0.00    +0.069 A 
ATOM      8  C   LIG    1        1.274  -1.386   0.328  0.00  0.00    +0.028 A 
ATOM      9  C   LIG    1        2.668  -1.446   0.203  0.00  0.00    +0.011 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        5.668  -0.826   1.951  0.00  0.00    +0.070 C 
ATOM     11  C   LIG    1        5.833  -0.703   0.484  0.00  0.00    +0.088 A 
ATOM     12  C   LIG    1        4.836  -0.513  -0.509  0.00  0.00    +0.047 A 
ATOM     13  C   LIG    1        5.547  -0.459  -1.689  0.00  0.00    +0.142 A 
ATOM     14  C   LIG    1        5.192  -0.294  -3.111  0.00  0.00    +0.090 C 
ATOM     15  O   LIG    1        6.872  -0.603  -1.418  0.00  0.00    -0.359 OA
ATOM     16  N   LIG    1        7.056  -0.763  -0.058  0.00  0.00    -0.083 NA
ENDBRANCH   1  12
BRANCH   6  17
ATOM     17  C   LIG    1       -1.807  -0.636   0.244  0.00  0.00    +0.142 C 
BRANCH  17  18
ATOM     18  C   LIG    1       -2.167  -1.865  -0.642  0.00  0.00    +0.073 C 
ATOM     19  C   LIG    1       -2.611  -1.363  -2.031  0.00  0.00    +0.026 C 
BRANCH  18  20
ATOM     20  N   LIG    1       -3.243  -2.717  -0.070  0.00  0.00    -0.294 NA
ATOM     21  C   LIG    1       -3.136  -2.947   1.387  0.00  0.00    +0.113 C 
ATOM     22  C   LIG    1       -4.009  -4.125   1.847  0.00  0.00    +0.175 C 
ATOM     23  O   LIG    1       -3.581  -5.376   1.296  0.00  0.00    -0.377 OA
ATOM     24  C   LIG    1       -2.924  -5.234   0.032  0.00  0.00    +0.175 C 
ATOM     25  C   LIG    1       -3.406  -4.016  -0.775  0.00  0.00    +0.113 C 
ENDBRANCH  18  20
ENDBRANCH  17  18
ENDBRANCH   6  17
BRANCH   5  26
ATOM     26  C   LIG    1       -1.966   2.224  -1.003  0.00  0.00    +0.079 C 
BRANCH  26  27
ATOM     27  C   LIG    1       -2.401   2.961   0.269  0.00  0.00    +0.043 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.655   4.250   0.520  0.00  0.00    -0.047 A 
ATOM     29  C   LIG    1       -2.217   5.479   0.146  0.00  0.00    +0.003 A 
ATOM     30  C   LIG    1       -1.529   6.672   0.374  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -0.272   6.649   0.974  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1        0.299   5.434   1.345  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.389   4.240   1.119  0.00  0.00    +0.003 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   5  26
TORSDOF 7