REMARK  Name = BDB056040
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.517  -4.266  -2.858  0.00  0.00    -0.061 S 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.547  -2.870  -2.803  0.00  0.00    +0.278 A 
ATOM      3  O   LIG    1       -2.119  -2.384  -1.657  0.00  0.00    -0.411 OA
ATOM      4  C   LIG    1       -2.824  -1.306  -2.124  0.00  0.00    +0.249 A 
ATOM      5  N   LIG    1       -2.713  -1.157  -3.428  0.00  0.00    -0.106 NA
ATOM      6  N   LIG    1       -1.893  -2.176  -3.867  0.00  0.00    -0.101 NA
BRANCH   4   7
ATOM      7  C   LIG    1       -3.559  -0.511  -1.148  0.00  0.00    +0.042 A 
ATOM      8  C   LIG    1       -4.238   0.644  -1.566  0.00  0.00    +0.062 A 
ATOM      9  C   LIG    1       -4.939   1.427  -0.648  0.00  0.00    +0.163 A 
ATOM     10  O   LIG    1       -5.553   2.550  -1.140  0.00  0.00    -0.485 OA
ATOM     11  C   LIG    1       -5.936   3.440  -0.085  0.00  0.00    +0.270 C 
ATOM     12  C   LIG    1       -6.610   2.676   1.043  0.00  0.00    +0.270 C 
ATOM     13  O   LIG    1       -5.697   1.750   1.644  0.00  0.00    -0.485 OA
ATOM     14  C   LIG    1       -5.000   1.049   0.695  0.00  0.00    +0.162 A 
ATOM     15  C   LIG    1       -4.323  -0.088   1.128  0.00  0.00    +0.050 A 
ATOM     16  C   LIG    1       -3.608  -0.865   0.211  0.00  0.00    +0.017 A 
ENDBRANCH   4   7
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  C   LIG    1        0.050  -4.360  -1.139  0.00  0.00    +0.114 C 
BRANCH  17  21
ATOM     18  C   LIG    1        2.803  -1.180  -0.040  0.00  0.00    -0.018 A 
ATOM     19  C   LIG    1        1.518  -1.251   0.518  0.00  0.00    +0.009 A 
ATOM     20  C   LIG    1        0.632  -2.275   0.167  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        1.008  -3.258  -0.756  0.00  0.00    -0.037 A 
ATOM     22  C   LIG    1        2.293  -3.199  -1.312  0.00  0.00    +0.005 A 
ATOM     23  C   LIG    1        3.175  -2.173  -0.959  0.00  0.00    +0.009 A 
BRANCH  18  27
ATOM     24  C   LIG    1        5.519   1.979   1.038  0.00  0.00    +0.120 A 
ATOM     25  C   LIG    1        4.940   1.182   2.023  0.00  0.00    +0.046 A 
ATOM     26  C   LIG    1        4.055   0.155   1.670  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1        3.732  -0.100   0.327  0.00  0.00    -0.018 A 
ATOM     28  C   LIG    1        4.323   0.711  -0.653  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1        5.205   1.737  -0.300  0.00  0.00    +0.046 A 
BRANCH  24  31
ATOM     30  C   LIG    1        6.745   3.294   2.592  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1        6.394   3.009   1.244  0.00  0.00    -0.495 OA
ENDBRANCH  24  31
ENDBRANCH  18  27
ENDBRANCH  17  21
ENDBRANCH   1  17
TORSDOF 6