REMARK  Name = BDB053929
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.706  -1.355   0.135  0.00  0.00    +0.253 C 
ATOM      2  N   LIG    1       -0.383  -0.510   0.269  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1       -0.188   0.471   0.413  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.597  -2.569   0.289  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   7
ATOM      5  C   LIG    1        4.318  -0.052  -0.234  0.00  0.00    +0.109 A 
ATOM      6  S   LIG    1        3.417  -1.339   0.469  0.00  0.00    -0.062 S 
ATOM      7  C   LIG    1        1.959  -0.686  -0.154  0.00  0.00    +0.097 A 
ATOM      8  C   LIG    1        2.243   0.444  -0.901  0.00  0.00    +0.058 A 
ATOM      9  C   LIG    1        1.303   1.280  -1.696  0.00  0.00    +0.067 C 
ATOM     10  N   LIG    1        3.581   0.809  -0.912  0.00  0.00    -0.243 NA
BRANCH   5  15
ATOM     11  C   LIG    1       10.075   0.582   0.293  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        8.595   0.391   0.142  0.00  0.00    -0.050 A 
ATOM     13  C   LIG    1        7.957  -0.706   0.727  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        6.571  -0.870   0.613  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        5.784   0.064  -0.079  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        6.439   1.169  -0.649  0.00  0.00    +0.011 A 
ATOM     17  C   LIG    1        7.823   1.336  -0.537  0.00  0.00    +0.004 A 
ENDBRANCH   5  15
ENDBRANCH   1   7
BRANCH   2  18
ATOM     18  C   LIG    1       -1.689  -1.011   0.695  0.00  0.00    +0.090 C 
ATOM     19  C   LIG    1       -2.825  -0.075   0.228  0.00  0.00    +0.127 C 
ATOM     20  N   LIG    1       -4.134  -0.531   0.742  0.00  0.00    -0.328 N 
ATOM     21  C   LIG    1       -4.193  -0.663   2.205  0.00  0.00    +0.105 C 
ATOM     22  C   LIG    1       -3.112  -1.632   2.679  0.00  0.00    +0.021 C 
ATOM     23  C   LIG    1       -1.727  -1.188   2.219  0.00  0.00    +0.025 C 
BRANCH  20  24
ATOM     24  C   LIG    1       -5.226   0.075   0.097  0.00  0.00    +0.031 A 
ATOM     25  C   LIG    1       -5.423  -0.148  -1.278  0.00  0.00    +0.038 A 
ATOM     26  C   LIG    1       -6.499   0.427  -1.970  0.00  0.00    +0.061 A 
ATOM     27  C   LIG    1       -7.408   1.237  -1.286  0.00  0.00    +0.015 A 
ATOM     28  C   LIG    1       -7.241   1.463   0.077  0.00  0.00    +0.003 A 
ATOM     29  C   LIG    1       -6.164   0.884   0.757  0.00  0.00    +0.023 A 
BRANCH  26  30
ATOM     30  C   LIG    1       -6.715   0.199  -3.418  0.00  0.00    +0.337 C 
ATOM     31  O   LIG    1       -7.643   0.632  -4.077  0.00  0.00    -0.245 OA
BRANCH  30  32
ATOM     32  O   LIG    1       -5.753  -0.553  -3.982  0.00  0.00    -0.477 OA
ATOM     33  H   LIG    1       -6.029  -0.625  -4.919  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  26  30
ENDBRANCH  20  24
ENDBRANCH   2  18
TORSDOF 6