REMARK  Name = BDB052143
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -6.402  -1.296   1.736  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -5.341  -0.939   1.232  0.00  0.00    +0.253 A 
ATOM      3  C   LIG    1       -5.269   0.212   0.277  0.00  0.00    +0.030 A 
ATOM      4  C   LIG    1       -6.623   0.803  -0.017  0.00  0.00    +0.110 C 
ATOM      5  S   LIG    1       -6.663   1.864  -1.488  0.00  0.00    -0.156 S 
ATOM      6  C   LIG    1       -5.141   2.775  -1.157  0.00  0.00    +0.074 C 
ATOM      7  C   LIG    1       -3.942   1.829  -1.123  0.00  0.00    +0.047 C 
ATOM      8  C   LIG    1       -4.078   0.619  -0.221  0.00  0.00    -0.028 A 
ATOM      9  C   LIG    1       -2.845  -0.139   0.122  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1       -2.937  -1.220   1.007  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1       -1.810  -1.960   1.372  0.00  0.00    +0.030 A 
ATOM     12  C   LIG    1       -0.560  -1.636   0.842  0.00  0.00    +0.048 A 
ATOM     13  C   LIG    1       -0.440  -0.580  -0.056  0.00  0.00    +0.122 A 
ATOM     14  C   LIG    1       -1.579   0.159  -0.407  0.00  0.00    +0.056 A 
ATOM     15  N   LIG    1       -4.176  -1.575   1.537  0.00  0.00    -0.322 N 
ATOM     16  H   LIG    1       -4.257  -2.351   2.180  0.00  0.00    +0.169 HD
ENDROOT
BRANCH  13  17
ATOM     17  O   LIG    1        0.711  -0.151  -0.657  0.00  0.00    -0.489 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.920  -0.896  -0.475  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1        2.788  -0.651  -1.713  0.00  0.00    +0.060 C 
ATOM     20  C   LIG    1        4.178  -1.260  -1.543  0.00  0.00    +0.088 C 
ATOM     21  N   LIG    1        4.874  -0.818  -0.324  0.00  0.00    -0.300 NA
ATOM     22  C   LIG    1        4.041  -1.056   0.863  0.00  0.00    +0.088 C 
ATOM     23  C   LIG    1        2.658  -0.417   0.777  0.00  0.00    +0.060 C 
BRANCH  21  24
ATOM     24  C   LIG    1        5.373   0.567  -0.453  0.00  0.00    +0.112 C 
BRANCH  24  25
ATOM     25  C   LIG    1        6.238   1.059   0.723  0.00  0.00    +0.171 C 
BRANCH  25  26
ATOM     26  O   LIG    1        5.445   1.565   1.796  0.00  0.00    -0.394 OA
ATOM     27  H   LIG    1        4.895   2.282   1.440  0.00  0.00    +0.209 HD
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  21  24
ENDBRANCH  17  18
ENDBRANCH  13  17
TORSDOF 5