REMARK  Name = BDB056973
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.467  -0.379   0.422  0.00  0.00    +0.038 A 
ATOM      2  C   LIG    1        1.714   0.981   0.201  0.00  0.00    +0.024 A 
ATOM      3  C   LIG    1        3.008   1.424  -0.108  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        4.050   0.486  -0.177  0.00  0.00    +0.021 A 
ATOM      5  C   LIG    1        3.824  -0.879   0.070  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1        2.523  -1.300   0.368  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        3.269   2.837  -0.349  0.00  0.00    +0.204 A 
ATOM      8  N   LIG    1        2.325   3.798  -0.348  0.00  0.00    -0.133 NA
ATOM      9  N   LIG    1        3.084   4.874  -0.609  0.00  0.00    -0.176 N 
ATOM     10  H   LIG    1        2.693   5.809  -0.680  0.00  0.00    +0.214 HD
ATOM     11  N   LIG    1        4.390   4.647  -0.773  0.00  0.00    -0.049 NA
ATOM     12  N   LIG    1        4.524   3.339  -0.608  0.00  0.00    -0.108 NA
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  C   LIG    1        4.945  -1.813  -0.004  0.00  0.00    +0.078 A 
ATOM     14  N   LIG    1        6.102  -1.480  -0.695  0.00  0.00    -0.247 NA
ATOM     15  C   LIG    1        6.967  -2.466  -0.620  0.00  0.00    +0.156 A 
ATOM     16  S   LIG    1        6.470  -3.839   0.276  0.00  0.00    -0.083 S 
ATOM     17  C   LIG    1        4.973  -3.059   0.596  0.00  0.00    +0.075 A 
ENDBRANCH   5  13
BRANCH   1  20
ATOM     18  N   LIG    1       -0.936  -0.204   0.158  0.00  0.00    -0.279 N 
ATOM     19  H   LIG    1       -0.721   0.525  -0.517  0.00  0.00    +0.155 HD
ATOM     20  C   LIG    1        0.104  -0.889   0.748  0.00  0.00    +0.248 C 
ATOM     21  O   LIG    1        0.011  -1.873   1.473  0.00  0.00    -0.270 OA
BRANCH  18  23
ATOM     22  C   LIG    1       -3.178   0.381  -0.483  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -2.325  -0.432   0.296  0.00  0.00    +0.076 A 
ATOM     24  C   LIG    1       -2.868  -1.394   1.153  0.00  0.00    +0.038 A 
ATOM     25  C   LIG    1       -4.255  -1.561   1.237  0.00  0.00    +0.019 A 
ATOM     26  C   LIG    1       -5.094  -0.754   0.459  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -4.561   0.213  -0.397  0.00  0.00    +0.048 A 
BRANCH  25  28
ATOM     28  C   LIG    1       -4.881  -2.577   2.136  0.00  0.00    +0.160 C 
ATOM     29  O   LIG    1       -6.106  -2.667   2.192  0.00  0.00    -0.292 OA
ATOM     30  C   LIG    1       -3.994  -3.474   2.960  0.00  0.00    +0.091 C 
ENDBRANCH  25  28
BRANCH  22  31
ATOM     31  O   LIG    1       -2.542   1.299  -1.286  0.00  0.00    -0.490 OA
BRANCH  31  33
ATOM     32  C   LIG    1       -2.447   3.068  -2.876  0.00  0.00    +0.048 C 
ATOM     33  C   LIG    1       -3.362   2.146  -2.090  0.00  0.00    +0.226 C 
ENDBRANCH  31  33
ENDBRANCH  22  31
ENDBRANCH  18  23
ENDBRANCH   1  20
TORSDOF 7