REMARK  Name = BDB003550
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.598   1.393  -0.239  0.00  0.00    -0.015 A 
ATOM      2  C   LIG    1       -2.390   0.395  -1.205  0.00  0.00    +0.036 A 
ATOM      3  C   LIG    1       -1.163  -0.279  -1.289  0.00  0.00    +0.101 A 
ATOM      4  C   LIG    1       -0.120   0.077  -0.434  0.00  0.00    +0.062 A 
ATOM      5  C   LIG    1       -0.317   1.066   0.539  0.00  0.00    +0.015 A 
ATOM      6  C   LIG    1       -1.547   1.720   0.630  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -5.025   1.514   0.479  0.00  0.00    +0.015 A 
ATOM      8  C   LIG    1       -3.892   2.086  -0.142  0.00  0.00    -0.004 A 
ATOM      9  C   LIG    1       -4.010   3.375  -0.695  0.00  0.00    +0.009 A 
ATOM     10  C   LIG    1       -5.210   4.084  -0.632  0.00  0.00    +0.001 A 
ATOM     11  C   LIG    1       -6.317   3.518  -0.008  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.224   2.242   0.547  0.00  0.00    +0.015 A 
BRANCH   7  14
ATOM     13  C   LIG    1       -6.008  -1.010   0.041  0.00  0.00    +0.090 C 
ATOM     14  S   LIG    1       -4.987  -0.113   1.239  0.00  0.00    -0.128 S 
ENDBRANCH   7  14
ENDBRANCH   1   8
BRANCH   3  15
ATOM     15  S   LIG    1       -0.959  -1.518  -2.542  0.00  0.00    -0.005 S 
ATOM     16  O   LIG    1       -2.131  -1.441  -3.399  0.00  0.00    -0.170 OA
ATOM     17  O   LIG    1        0.358  -1.352  -3.125  0.00  0.00    -0.170 OA
ATOM     18  C   LIG    1       -1.047  -3.072  -1.694  0.00  0.00    +0.200 C 
ENDBRANCH   3  15
BRANCH   4  19
ATOM     19  C   LIG    1        1.179  -0.609  -0.437  0.00  0.00    +0.248 C 
ATOM     20  N   LIG    1        2.271   0.007  -1.037  0.00  0.00    -0.300 N 
ATOM     21  C   LIG    1        2.195   1.226  -1.837  0.00  0.00    +0.132 C 
ATOM     22  O   LIG    1        1.222  -1.690   0.145  0.00  0.00    -0.270 OA
BRANCH  20  23
ATOM     23  C   LIG    1        3.540  -0.718  -1.075  0.00  0.00    +0.114 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.372  -0.250   0.105  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1        4.032  -0.834   1.493  0.00  0.00    +0.114 C 
ATOM     26  N   LIG    1        5.470  -0.984   1.672  0.00  0.00    -0.301 N 
ATOM     27  C   LIG    1        6.164  -1.704   2.608  0.00  0.00    +0.212 C 
ATOM     28  O   LIG    1        7.300  -2.131   2.417  0.00  0.00    -0.276 OA
ATOM     29  C   LIG    1        5.427  -1.952   3.897  0.00  0.00    +0.109 C 
ATOM     30  C   LIG    1        5.745  -0.937   0.242  0.00  0.00    +0.114 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH   4  19
TORSDOF 6