REMARK  Name = BDB045130
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.581  -0.956  -0.299  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -0.963  -0.482  -1.456  0.00  0.00    +0.014 A 
ATOM      3  C   LIG    1        0.416  -0.629  -1.602  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.180  -1.235  -0.597  0.00  0.00    +0.122 A 
ATOM      5  C   LIG    1        0.549  -1.723   0.549  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.834  -1.579   0.703  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   1   8
ATOM      7  N   LIG    1       -3.586   0.396   0.101  0.00  0.00    -0.084 NA
ATOM      8  C   LIG    1       -3.044  -0.770  -0.118  0.00  0.00    +0.117 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -3.929  -1.980  -0.177  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1       -5.228  -1.898   0.344  0.00  0.00    +0.010 A 
ATOM     11  C   LIG    1       -6.077  -3.006   0.306  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -5.638  -4.202  -0.256  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -4.351  -4.292  -0.784  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.498  -3.186  -0.748  0.00  0.00    +0.010 A 
ENDBRANCH   8   9
BRANCH   7  15
ATOM     15  O   LIG    1       -2.627   1.418   0.159  0.00  0.00    -0.393 OA
BRANCH  15  16
ATOM     16  C   LIG    1       -3.278   2.642   0.491  0.00  0.00    +0.262 C 
BRANCH  16  18
ATOM     17  C   LIG    1       -1.158   3.555   1.534  0.00  0.00    +0.007 C 
ATOM     18  C   LIG    1       -2.251   3.768   0.495  0.00  0.00    +0.040 C 
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   4  19
ATOM     19  O   LIG    1        2.520  -1.278  -0.862  0.00  0.00    -0.477 OA
BRANCH  19  20
ATOM     20  C   LIG    1        3.433  -1.570   0.209  0.00  0.00    +0.285 C 
BRANCH  20  21
ATOM     21  C   LIG    1        4.779  -1.936  -0.417  0.00  0.00    +0.346 C 
ATOM     22  O   LIG    1        5.745  -2.333   0.219  0.00  0.00    -0.247 OA
BRANCH  21  23
ATOM     23  O   LIG    1        4.809  -1.785  -1.764  0.00  0.00    -0.478 OA
ATOM     24  H   LIG    1        3.945  -1.427  -2.070  0.00  0.00    +0.295 HD
ENDBRANCH  21  23
ENDBRANCH  20  21
BRANCH  20  25
ATOM     25  C   LIG    1        3.615  -0.395   1.185  0.00  0.00    +0.091 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.985   0.917   0.529  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1        2.989   1.830   0.155  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1        3.327   3.032  -0.468  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1        4.662   3.335  -0.722  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        5.661   2.437  -0.352  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.326   1.234   0.273  0.00  0.00    +0.004 A 
ENDBRANCH  25  26
ENDBRANCH  20  25
ENDBRANCH  19  20
ENDBRANCH   4  19
TORSDOF 11