REMARK  Name = BDB001148
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.953   0.032  -0.018  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -0.244  -0.831  -0.826  0.00  0.00    -0.295 N 
ATOM      3  C   LIG    1        1.171  -1.099  -0.566  0.00  0.00    +0.099 C 
ATOM      4  C   LIG    1        1.551  -2.232  -1.534  0.00  0.00    +0.013 C 
ATOM      5  C   LIG    1        2.281  -1.571  -2.709  0.00  0.00    +0.007 C 
ATOM      6  C   LIG    1        2.221  -0.067  -2.460  0.00  0.00    +0.024 C 
ATOM      7  C   LIG    1        0.216  -2.876  -1.893  0.00  0.00    +0.024 C 
ATOM      8  C   LIG    1        2.099   0.077  -0.939  0.00  0.00    +0.094 C 
ATOM      9  C   LIG    1       -0.788  -1.736  -1.826  0.00  0.00    +0.108 C 
ATOM     10  O   LIG    1       -0.425   0.550   0.975  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   8  11
ATOM     11  N   LIG    1        3.394  -0.026  -0.266  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        3.410  -0.536   0.609  0.00  0.00    +0.149 HD
ATOM     13  C   LIG    1        4.328   0.987  -0.381  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        4.198   1.952  -1.125  0.00  0.00    -0.270 OA
BRANCH  13  15
ATOM     15  C   LIG    1        5.524   0.876   0.500  0.00  0.00    +0.037 A 
ATOM     16  C   LIG    1        6.008  -0.363   0.938  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        7.135  -0.421   1.763  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        7.783   0.753   2.144  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1        7.314   1.988   1.698  0.00  0.00    +0.001 A 
ATOM     20  C   LIG    1        6.190   2.051   0.873  0.00  0.00    +0.013 A 
ENDBRANCH  13  15
ENDBRANCH   8  11
BRANCH   1  21
ATOM     21  C   LIG    1       -2.419   0.378  -0.388  0.00  0.00    +0.164 C 
BRANCH  21  23
ATOM     22  C   LIG    1       -3.692  -0.805   1.365  0.00  0.00    +0.230 C 
ATOM     23  N   LIG    1       -3.141   0.376   0.889  0.00  0.00    -0.302 N 
ATOM     24  H   LIG    1       -2.750   0.992   1.593  0.00  0.00    +0.150 HD
ATOM     25  O   LIG    1       -3.770  -1.817   0.672  0.00  0.00    -0.274 OA
BRANCH  22  26
ATOM     26  C   LIG    1       -4.162  -0.707   2.836  0.00  0.00    +0.137 C 
ATOM     27  C   LIG    1       -2.967  -0.982   3.747  0.00  0.00    +0.034 C 
BRANCH  26  29
ATOM     28  C   LIG    1       -6.480  -1.338   2.446  0.00  0.00    +0.101 C 
ATOM     29  N   LIG    1       -5.245  -1.662   3.147  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -5.420  -1.660   4.150  0.00  0.00    +0.122 HD
ENDBRANCH  26  29
ENDBRANCH  22  26
ENDBRANCH  21  23
BRANCH  21  31
ATOM     31  C   LIG    1       -2.561   1.740  -1.139  0.00  0.00    -0.011 C 
ATOM     32  C   LIG    1       -4.054   2.003  -1.432  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -1.823   1.686  -2.491  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -2.010   2.933  -0.334  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 7