REMARK  Name = BDB020993
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.459   1.532  -3.013  0.00  0.00    +0.129 C 
ATOM      2  N   LIG    1       -5.720   0.689  -2.103  0.00  0.00    -0.302 N 
ATOM      3  H   LIG    1       -6.277   0.260  -1.382  0.00  0.00    +0.150 HD
ATOM      4  C   LIG    1       -4.468   1.079  -1.697  0.00  0.00    +0.302 C 
ATOM      5  N   LIG    1       -3.822   0.205  -0.838  0.00  0.00    -0.278 N 
ATOM      6  C   LIG    1       -2.614   0.721  -0.194  0.00  0.00    +0.164 C 
ATOM      7  C   LIG    1       -1.797  -0.353   0.431  0.00  0.00    +0.064 A 
ATOM      8  N   LIG    1       -2.132  -1.688   0.387  0.00  0.00    -0.328 N 
ATOM      9  C   LIG    1       -1.139  -2.405   0.998  0.00  0.00    +0.114 A 
ATOM     10  N   LIG    1       -0.212  -1.592   1.464  0.00  0.00    -0.232 NA
ATOM     11  C   LIG    1       -3.334  -2.154  -0.264  0.00  0.00    +0.142 C 
ATOM     12  C   LIG    1       -0.603  -0.324   1.122  0.00  0.00    +0.094 A 
ATOM     13  C   LIG    1       -4.381  -1.046  -0.321  0.00  0.00    +0.131 C 
ATOM     14  O   LIG    1       -3.961   2.129  -2.082  0.00  0.00    -0.253 OA
ENDROOT
BRANCH  12  15
ATOM     15  C   LIG    1        0.184   0.856   1.431  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        1.526   0.990   0.979  0.00  0.00    +0.009 A 
ATOM     17  C   LIG    1        2.245   2.161   1.298  0.00  0.00    -0.014 A 
ATOM     18  C   LIG    1        3.565   2.310   0.848  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        4.153   1.304   0.087  0.00  0.00    +0.080 A 
ATOM     20  N   LIG    1        3.494   0.173  -0.236  0.00  0.00    -0.254 NA
ATOM     21  C   LIG    1        1.630   3.167   2.062  0.00  0.00    +0.008 A 
ATOM     22  C   LIG    1        0.320   3.023   2.513  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        2.220   0.040   0.211  0.00  0.00    +0.120 A 
ATOM     24  C   LIG    1       -0.399   1.873   2.202  0.00  0.00    +0.011 A 
BRANCH  19  25
ATOM     25  C   LIG    1        5.533   1.408  -0.400  0.00  0.00    +0.057 A 
ATOM     26  S   LIG    1        6.098   0.463  -1.726  0.00  0.00    -0.071 S 
ATOM     27  C   LIG    1        7.645   1.193  -1.597  0.00  0.00    +0.076 A 
ATOM     28  C   LIG    1        8.732   0.797  -2.532  0.00  0.00    +0.073 C 
ATOM     29  N   LIG    1        7.773   2.089  -0.644  0.00  0.00    -0.252 NA
ATOM     30  C   LIG    1        6.577   2.206   0.038  0.00  0.00    +0.128 A 
ENDBRANCH  19  25
ENDBRANCH  12  15
BRANCH   9  31
ATOM     31  C   LIG    1       -0.956  -3.945   1.178  0.00  0.00    +0.055 C 
ATOM     32  C   LIG    1       -1.640  -4.971   0.323  0.00  0.00    +0.012 C 
ATOM     33  C   LIG    1       -2.061  -4.784   1.756  0.00  0.00    +0.012 C 
ENDBRANCH   9  31
TORSDOF 3