REMARK  Name = BDB062249
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.522   0.876   3.234  0.00  0.00    +0.067 C 
ATOM      2  C   LIG    1       -1.885   0.426   1.971  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -2.441   0.312   0.708  0.00  0.00    +0.063 A 
ATOM      4  S   LIG    1       -1.256  -0.265  -0.389  0.00  0.00    -0.051 S 
ATOM      5  C   LIG    1       -0.091  -0.314   0.872  0.00  0.00    +0.159 A 
ATOM      6  N   LIG    1       -0.544   0.064   2.043  0.00  0.00    -0.229 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -3.915   0.636   0.263  0.00  0.00    +0.101 A 
ATOM      8  N   LIG    1       -4.306   0.477  -1.010  0.00  0.00    -0.171 NA
ATOM      9  N   LIG    1       -5.597   0.841  -1.013  0.00  0.00    -0.274 N 
ATOM     10  C   LIG    1       -6.345   0.788  -2.245  0.00  0.00    +0.172 C 
ATOM     11  C   LIG    1       -6.052   1.232   0.209  0.00  0.00    +0.108 A 
ATOM     12  C   LIG    1       -4.981   1.110   1.063  0.00  0.00    +0.050 A 
ENDBRANCH   3   7
BRANCH   5  13
ATOM     13  N   LIG    1        1.192  -0.722   0.725  0.00  0.00    -0.319 N 
ATOM     14  H   LIG    1        1.754  -0.513   1.545  0.00  0.00    +0.148 HD
BRANCH  13  15
ATOM     15  C   LIG    1        1.903  -0.493  -0.522  0.00  0.00    +0.142 C 
BRANCH  15  16
ATOM     16  C   LIG    1        3.308  -1.025  -0.416  0.00  0.00    +0.015 A 
ATOM     17  C   LIG    1        4.412  -0.246  -0.720  0.00  0.00    +0.171 A 
ATOM     18  O   LIG    1        4.391   1.056  -1.122  0.00  0.00    -0.452 OA
ATOM     19  C   LIG    1        5.800   1.323  -1.278  0.00  0.00    +0.466 C 
ATOM     20  O   LIG    1        6.634   0.188  -0.981  0.00  0.00    -0.453 OA
ATOM     21  C   LIG    1        5.697  -0.739  -0.643  0.00  0.00    +0.167 A 
ATOM     22  C   LIG    1        5.960  -2.038  -0.265  0.00  0.00    +0.049 A 
ATOM     23  C   LIG    1        4.873  -2.857   0.041  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1        3.560  -2.357  -0.037  0.00  0.00    +0.009 A 
ENDBRANCH  15  16
ENDBRANCH  13  15
ENDBRANCH   5  13
TORSDOF 4