REMARK  Name = BDB051436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        3.139   0.393  -0.894  0.00  0.00    +0.122 A 
ATOM      2  C   LIG    1        2.060  -0.070  -0.130  0.00  0.00    +0.074 A 
ATOM      3  C   LIG    1        0.777  -0.175  -0.702  0.00  0.00    +0.083 A 
ATOM      4  C   LIG    1        0.607   0.190  -2.038  0.00  0.00    +0.040 A 
ATOM      5  S   LIG    1       -1.042  -0.039  -2.474  0.00  0.00    -0.061 S 
ATOM      6  C   LIG    1       -1.384  -0.576  -0.890  0.00  0.00    +0.137 A 
ATOM      7  C   LIG    1        1.676   0.655  -2.819  0.00  0.00    +0.021 A 
ATOM      8  N   LIG    1       -0.371  -0.616  -0.055  0.00  0.00    -0.233 NA
ATOM      9  C   LIG    1        2.942   0.751  -2.225  0.00  0.00    +0.047 A 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        5.468   0.888  -0.941  0.00  0.00    +0.277 C 
ATOM     11  O   LIG    1        4.326   0.448  -0.216  0.00  0.00    -0.495 OA
ENDBRANCH   1  11
BRANCH   6  12
ATOM     12  S   LIG    1       -2.974  -1.090  -0.398  0.00  0.00    -0.081 S 
BRANCH  12  13
ATOM     13  C   LIG    1       -3.111  -0.584   1.368  0.00  0.00    +0.114 C 
ATOM     14  C   LIG    1       -4.629  -0.576   1.651  0.00  0.00    +0.034 C 
ATOM     15  C   LIG    1       -2.577   0.823   1.659  0.00  0.00    +0.034 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -2.449  -1.618   2.293  0.00  0.00    +0.321 C 
ATOM     17  O   LIG    1       -3.044  -2.211   3.186  0.00  0.00    -0.249 OA
BRANCH  16  18
ATOM     18  O   LIG    1       -1.128  -1.827   2.105  0.00  0.00    -0.480 OA
ATOM     19  H   LIG    1       -0.741  -1.336   1.342  0.00  0.00    +0.295 HD
ENDBRANCH  16  18
ENDBRANCH  13  16
ENDBRANCH  12  13
ENDBRANCH   6  12
TORSDOF 5