REMARK  Name = BDB054920
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        4.950   0.212  -0.378  0.00  0.00    +0.118 A 
ATOM      2  C   LIG    1        4.336  -0.039   0.849  0.00  0.00    +0.151 A 
ATOM      3  C   LIG    1        2.945  -0.238   0.945  0.00  0.00    +0.045 A 
ATOM      4  C   LIG    1        2.138  -0.181  -0.201  0.00  0.00    +0.009 A 
ATOM      5  C   LIG    1        2.769   0.078  -1.433  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        4.153   0.280  -1.525  0.00  0.00    +0.030 A 
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1        0.672  -0.380  -0.185  0.00  0.00    +0.109 A 
ATOM      8  S   LIG    1       -0.210  -0.620   1.278  0.00  0.00    -0.063 S 
ATOM      9  C   LIG    1       -1.671  -0.720   0.396  0.00  0.00    +0.094 A 
ATOM     10  C   LIG    1       -1.398  -0.608  -0.950  0.00  0.00    +0.132 A 
ATOM     11  N   LIG    1       -0.073  -0.390  -1.275  0.00  0.00    -0.247 NA
BRANCH   9  12
ATOM     12  C   LIG    1       -2.924  -0.964   1.076  0.00  0.00    +0.255 C 
ATOM     13  N   LIG    1       -4.046  -0.221   0.683  0.00  0.00    -0.297 N 
ATOM     14  C   LIG    1       -3.997   1.090   0.040  0.00  0.00    +0.108 C 
ATOM     15  C   LIG    1       -5.035   1.183  -1.077  0.00  0.00    +0.019 C 
ATOM     16  C   LIG    1       -6.373   0.528  -0.715  0.00  0.00    +0.003 C 
ATOM     17  C   LIG    1       -6.496   0.258   0.781  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1       -5.327  -0.588   1.286  0.00  0.00    +0.108 C 
ATOM     19  O   LIG    1       -3.023  -1.823   1.953  0.00  0.00    -0.269 OA
ENDBRANCH   9  12
ENDBRANCH   4   7
BRANCH   1  21
ATOM     20  C   LIG    1        7.491  -0.956  -0.735  0.00  0.00    +0.200 C 
ATOM     21  S   LIG    1        6.674   0.605  -0.530  0.00  0.00    -0.004 S 
ATOM     22  O   LIG    1        7.093   1.217   0.713  0.00  0.00    -0.170 OA
ATOM     23  O   LIG    1        6.823   1.335  -1.777  0.00  0.00    -0.170 OA
ENDBRANCH   1  21
BRANCH   2  24
ATOM     24  N   LIG    1        5.097  -0.184   2.074  0.00  0.00    +0.058 N 
ATOM     25  O   LIG    1        4.798   0.559   3.016  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        5.924  -1.104   2.101  0.00  0.00    -0.126 OA
ENDBRANCH   2  24
TORSDOF 4