REMARK  Name = BDB051466
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.561   0.368  -0.596  0.00  0.00    +0.064 A 
ATOM      2  C   LIG    1       -3.347  -0.001   0.017  0.00  0.00    +0.102 A 
ATOM      3  C   LIG    1       -3.384  -0.749   1.189  0.00  0.00    +0.067 A 
ATOM      4  N   LIG    1       -2.066  -0.935   1.518  0.00  0.00    -0.338 N 
ATOM      5  H   LIG    1       -1.734  -1.427   2.332  0.00  0.00    +0.167 HD
ATOM      6  C   LIG    1       -1.274  -0.323   0.572  0.00  0.00    +0.139 A 
ATOM      7  C   LIG    1       -4.568  -1.161   1.806  0.00  0.00    +0.028 A 
ATOM      8  C   LIG    1       -5.765  -0.787   1.187  0.00  0.00    +0.003 A 
ATOM      9  N   LIG    1       -2.036   0.254  -0.341  0.00  0.00    -0.227 NA
ATOM     10  C   LIG    1       -5.766  -0.037   0.008  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   6  11
ATOM     11  C   LIG    1        0.194  -0.306   0.601  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        0.944  -1.137   1.445  0.00  0.00    +0.012 A 
ATOM     13  C   LIG    1        2.347  -1.087   1.442  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        3.035  -0.207   0.598  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        2.284   0.613  -0.254  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        0.885   0.564  -0.252  0.00  0.00    +0.012 A 
BRANCH  14  17
ATOM     17  C   LIG    1        4.495  -0.128   0.567  0.00  0.00    +0.080 A 
ATOM     18  N   LIG    1        5.152   0.490  -0.490  0.00  0.00    -0.225 NA
ATOM     19  C   LIG    1        6.448   0.441  -0.317  0.00  0.00    +0.156 A 
ATOM     20  S   LIG    1        6.970  -0.312   1.133  0.00  0.00    -0.060 S 
ATOM     21  C   LIG    1        5.334  -0.615   1.551  0.00  0.00    +0.076 A 
BRANCH  19  22
ATOM     22  N   LIG    1        7.325   0.959  -1.193  0.00  0.00    -0.338 N 
ATOM     23  H   LIG    1        8.230   1.234  -0.833  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        6.927   1.622  -1.849  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  14  17
ENDBRANCH   6  11
BRANCH   1  28
ATOM     25  N   LIG    1       -3.414   1.524  -2.404  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -3.413   2.055  -3.262  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -2.530   1.250  -1.979  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -4.606   1.161  -1.847  0.00  0.00    +0.244 C 
ATOM     29  O   LIG    1       -5.669   1.481  -2.365  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 4