REMARK  Name = BDB024061
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.337   2.677   0.497  0.00  0.00    +0.047 C 
ATOM      2  C   LIG    1        2.095   1.193   0.518  0.00  0.00    -0.008 A 
ATOM      3  C   LIG    1        3.130   0.249   0.624  0.00  0.00    +0.128 A 
ATOM      4  C   LIG    1        2.820  -1.101   0.859  0.00  0.00    -0.008 A 
ATOM      5  C   LIG    1        3.857  -2.131   1.213  0.00  0.00    +0.047 C 
ATOM      6  C   LIG    1        1.479  -1.522   0.784  0.00  0.00    +0.015 A 
ATOM      7  C   LIG    1        0.443  -0.608   0.575  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        0.762   0.747   0.451  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   7   9
ATOM      9  C   LIG    1       -0.966  -1.016   0.467  0.00  0.00    +0.012 C 
ATOM     10  C   LIG    1       -1.515  -1.996   1.200  0.00  0.00    +0.052 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -2.933  -2.436   1.100  0.00  0.00    +0.188 C 
ATOM     12  O   LIG    1       -3.260  -3.541   1.518  0.00  0.00    -0.287 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -3.943  -1.536   0.515  0.00  0.00    +0.043 A 
ATOM     14  C   LIG    1       -4.734  -1.936  -0.558  0.00  0.00    +0.050 A 
ATOM     15  C   LIG    1       -4.610  -3.297  -1.180  0.00  0.00    +0.066 C 
ATOM     16  N   LIG    1       -5.666  -1.114  -1.113  0.00  0.00    -0.251 NA
ATOM     17  C   LIG    1       -5.845   0.116  -0.596  0.00  0.00    +0.071 A 
ATOM     18  C   LIG    1       -5.098   0.588   0.502  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1       -5.324   1.879   1.012  0.00  0.00    +0.010 A 
ATOM     20  C   LIG    1       -6.285   2.705   0.434  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1       -7.023   2.245  -0.651  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1       -6.796   0.960  -1.153  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -4.137  -0.264   1.059  0.00  0.00    +0.023 A 
ENDBRANCH  11  13
ENDBRANCH  10  11
ENDBRANCH   7   9
BRANCH   3  24
ATOM     24  O   LIG    1        4.432   0.668   0.653  0.00  0.00    -0.475 OA
BRANCH  24  25
ATOM     25  C   LIG    1        5.144   0.733  -0.610  0.00  0.00    +0.200 C 
ATOM     26  C   LIG    1        5.563  -0.657  -1.103  0.00  0.00    +0.067 C 
ATOM     27  C   LIG    1        4.435   1.481  -1.747  0.00  0.00    +0.067 C 
BRANCH  25  28
ATOM     28  C   LIG    1        6.420   1.523  -0.275  0.00  0.00    +0.348 C 
ATOM     29  O   LIG    1        7.575   1.177  -0.478  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        6.184   2.732   0.284  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        7.079   3.084   0.470  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  25  28
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 7