REMARK  Name = BDB024759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        5.107   0.238  -0.041  0.00  0.00    +0.407 C 
ATOM      2  N   LIG    1        4.018  -0.224  -0.804  0.00  0.00    -0.234 N 
ATOM      3  C   LIG    1        4.345  -1.329  -1.724  0.00  0.00    +0.082 C 
ATOM      4  C   LIG    1        4.580  -2.636  -0.949  0.00  0.00    +0.028 C 
ATOM      5  C   LIG    1        3.315  -1.518  -2.834  0.00  0.00    +0.027 C 
ATOM      6  C   LIG    1        1.936  -1.700  -2.237  0.00  0.00    +0.041 C 
ATOM      7  C   LIG    1        1.616  -0.535  -1.346  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1        0.268  -0.147  -1.168  0.00  0.00    +0.094 A 
ATOM      9  N   LIG    1       -0.872  -0.719  -1.680  0.00  0.00    -0.232 NA
ATOM     10  C   LIG    1       -1.883   0.007  -1.240  0.00  0.00    +0.115 A 
ATOM     11  N   LIG    1       -1.423   1.038  -0.447  0.00  0.00    -0.327 N 
ATOM     12  C   LIG    1       -0.048   0.964  -0.402  0.00  0.00    +0.069 A 
ATOM     13  C   LIG    1        0.928   1.747   0.205  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        2.262   1.343   0.040  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        2.637   0.193  -0.678  0.00  0.00    +0.045 A 
ATOM     16  O   LIG    1        6.278  -0.021  -0.318  0.00  0.00    -0.226 OA
ENDROOT
BRANCH   1  18
ATOM     17  C   LIG    1        5.887   1.336   1.884  0.00  0.00    +0.282 C 
ATOM     18  O   LIG    1        4.776   0.932   1.083  0.00  0.00    -0.453 OA
ENDBRANCH   1  18
BRANCH  11  19
ATOM     19  C   LIG    1       -2.225   2.042   0.230  0.00  0.00    +0.135 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.417   1.726   1.707  0.00  0.00    +0.142 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -3.414   2.667   2.310  0.00  0.00    +0.306 C 
ATOM     22  O   LIG    1       -4.071   3.514   1.728  0.00  0.00    -0.251 OA
BRANCH  21  23
ATOM     23  O   LIG    1       -3.537   2.493   3.639  0.00  0.00    -0.481 OA
ATOM     24  H   LIG    1       -4.218   3.143   3.914  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  11  19
BRANCH  10  25
ATOM     25  C   LIG    1       -3.324  -0.250  -1.571  0.00  0.00    +0.109 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -4.154  -0.704  -0.391  0.00  0.00    -0.040 A 
ATOM     27  C   LIG    1       -3.792  -1.847   0.339  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -4.554  -2.261   1.431  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -5.690  -1.545   1.802  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -6.069  -0.416   1.077  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -5.309   0.000  -0.017  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  10  25
TORSDOF 7