REMARK  Name = BDB032506
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.586   1.416  -0.279  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1        0.054   0.353   0.365  0.00  0.00    +0.070 A 
ATOM      3  C   LIG    1        1.358   0.528   0.806  0.00  0.00    +0.215 A 
ATOM      4  N   LIG    1        2.056   1.670   0.647  0.00  0.00    -0.221 NA
ATOM      5  C   LIG    1        1.419   2.686   0.026  0.00  0.00    +0.115 A 
ATOM      6  C   LIG    1        0.117   2.610  -0.446  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -2.009   1.283  -0.755  0.00  0.00    +0.040 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -3.008   1.723   0.321  0.00  0.00    +0.040 C 
BRANCH   8  12
ATOM      9  C   LIG    1       -7.159  -0.968  -0.471  0.00  0.00    +0.124 A 
ATOM     10  C   LIG    1       -6.481   0.270  -0.552  0.00  0.00    +0.022 A 
ATOM     11  C   LIG    1       -5.151   0.335  -0.068  0.00  0.00    -0.010 A 
ATOM     12  C   LIG    1       -4.442   1.569  -0.148  0.00  0.00    -0.039 A 
ATOM     13  C   LIG    1       -5.067   2.700  -0.704  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1       -6.375   2.635  -1.165  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.604  -0.841   0.476  0.00  0.00    +0.028 A 
ATOM     16  C   LIG    1       -5.367  -1.996   0.521  0.00  0.00    +0.113 A 
ATOM     17  C   LIG    1       -7.075   1.434  -1.087  0.00  0.00    +0.012 A 
ATOM     18  N   LIG    1       -6.625  -2.083   0.058  0.00  0.00    -0.240 NA
BRANCH   9  19
ATOM     19  N   LIG    1       -8.466  -1.129  -0.944  0.00  0.00    -0.343 N 
ATOM     20  H   LIG    1       -8.697  -2.109  -0.796  0.00  0.00    +0.144 HD
ATOM     21  H   LIG    1       -8.520  -0.882  -1.925  0.00  0.00    +0.144 HD
ENDBRANCH   9  19
ENDBRANCH   8  12
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  O   LIG    1        1.942  -0.561   1.420  0.00  0.00    -0.476 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.253  -0.323   1.941  0.00  0.00    +0.234 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.337  -0.531   0.872  0.00  0.00    +0.035 C 
ATOM     25  C   LIG    1        5.725  -0.239   1.467  0.00  0.00    +0.081 C 
ATOM     26  C   LIG    1        6.826  -0.683   0.566  0.00  0.00    +0.110 A 
ATOM     27  N   LIG    1        6.620  -1.575  -0.455  0.00  0.00    -0.334 N 
ATOM     28  C   LIG    1        7.814  -1.808  -1.067  0.00  0.00    +0.107 A 
ATOM     29  C   LIG    1        8.717  -1.034  -0.377  0.00  0.00    +0.130 A 
ATOM     30  C   LIG    1        5.330  -2.117  -0.825  0.00  0.00    +0.123 C 
ATOM     31  N   LIG    1        8.097  -0.343   0.634  0.00  0.00    -0.241 NA
ATOM     32  C   LIG    1        4.292  -1.956   0.286  0.00  0.00    +0.029 C 
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   3  22
TORSDOF 7