REMARK  Name = BDB053942
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.402   0.490   0.234  0.00  0.00    +0.019 A 
ATOM      2  C   LIG    1       -0.137   0.424   0.849  0.00  0.00    +0.022 A 
ATOM      3  C   LIG    1        1.027   0.244   0.069  0.00  0.00    +0.009 A 
ATOM      4  C   LIG    1        0.872   0.125  -1.313  0.00  0.00    +0.048 A 
ATOM      5  N   LIG    1        2.121  -0.057  -1.855  0.00  0.00    -0.354 N 
ATOM      6  H   LIG    1        2.305  -0.177  -2.841  0.00  0.00    +0.166 HD
ATOM      7  C   LIG    1        3.085  -0.049  -0.879  0.00  0.00    +0.052 A 
ATOM      8  C   LIG    1        4.477  -0.196  -0.975  0.00  0.00    -0.020 A 
ATOM      9  C   LIG    1        5.349  -0.444  -2.175  0.00  0.00    +0.038 C 
ATOM     10  C   LIG    1        6.731  -0.066  -1.624  0.00  0.00    +0.009 C 
ATOM     11  C   LIG    1        6.703  -0.364  -0.117  0.00  0.00    +0.036 C 
ATOM     12  C   LIG    1        5.256  -0.157   0.191  0.00  0.00    -0.029 A 
ATOM     13  C   LIG    1        4.638   0.017   1.400  0.00  0.00    +0.056 A 
ATOM     14  C   LIG    1        5.181   0.084   2.754  0.00  0.00    +0.260 A 
ATOM     15  O   LIG    1        6.353  -0.012   3.058  0.00  0.00    -0.267 OA
ATOM     16  N   LIG    1        4.119   0.273   3.579  0.00  0.00    -0.289 N 
ATOM     17  H   LIG    1        4.192   0.368   4.579  0.00  0.00    +0.172 HD
ATOM     18  C   LIG    1        2.938   0.347   2.902  0.00  0.00    +0.260 A 
ATOM     19  O   LIG    1        1.843   0.534   3.390  0.00  0.00    -0.267 OA
ATOM     20  C   LIG    1        3.257   0.170   1.487  0.00  0.00    +0.062 A 
ATOM     21  C   LIG    1       -0.372   0.182  -1.950  0.00  0.00    +0.027 A 
ATOM     22  C   LIG    1        2.430   0.140   0.352  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1       -1.506   0.368  -1.153  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1  24
ATOM     24  C   LIG    1       -2.602   0.689   1.108  0.00  0.00    +0.177 C 
ATOM     25  O   LIG    1       -2.498   0.535   2.326  0.00  0.00    -0.291 OA
BRANCH  24  26
ATOM     26  C   LIG    1       -3.932   1.107   0.484  0.00  0.00    +0.164 C 
BRANCH  26  27
ATOM     27  N   LIG    1       -4.623  -0.032  -0.162  0.00  0.00    -0.296 NA
BRANCH  27  29
ATOM     28  C   LIG    1       -5.662  -2.286   0.224  0.00  0.00    +0.020 C 
ATOM     29  C   LIG    1       -5.041  -1.034   0.837  0.00  0.00    +0.081 C 
ENDBRANCH  27  29
BRANCH  27  30
ATOM     30  C   LIG    1       -5.714   0.441  -1.031  0.00  0.00    +0.081 C 
ATOM     31  C   LIG    1       -6.902   1.103  -0.341  0.00  0.00    +0.020 C 
ENDBRANCH  27  30
ENDBRANCH  26  27
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 5