REMARK  Name = BDB050791
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.021   0.464   1.341  0.00  0.00    -0.030 A 
ATOM      2  C   LIG    1       -3.073   1.519   1.451  0.00  0.00    +0.026 A 
ATOM      3  C   LIG    1       -1.764   1.293   1.900  0.00  0.00    +0.031 A 
ATOM      4  C   LIG    1       -1.004   2.513   1.949  0.00  0.00    +0.020 A 
ATOM      5  C   LIG    1       -1.718   3.609   1.533  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -1.393  -0.034   2.229  0.00  0.00    +0.129 A 
ATOM      7  C   LIG    1       -2.313  -1.078   2.160  0.00  0.00    +0.046 A 
ATOM      8  S   LIG    1       -3.307   3.196   1.089  0.00  0.00    -0.096 S 
ATOM      9  C   LIG    1       -3.602  -0.831   1.713  0.00  0.00    +0.008 A 
ENDROOT
BRANCH   1  10
ATOM     10  C   LIG    1       -5.443   0.644   0.838  0.00  0.00    +0.079 C 
BRANCH  10  11
ATOM     11  C   LIG    1       -5.564   0.354  -0.667  0.00  0.00    +0.230 C 
BRANCH  11  13
ATOM     12  C   LIG    1       -4.829   1.231  -2.748  0.00  0.00    +0.195 C 
ATOM     13  O   LIG    1       -5.142   1.511  -1.391  0.00  0.00    -0.368 OA
ENDBRANCH  11  13
BRANCH  11  14
ATOM     14  C   LIG    1       -7.008  -0.083  -0.932  0.00  0.00    +0.334 C 
ATOM     15  O   LIG    1       -7.479  -1.175  -0.647  0.00  0.00    -0.248 OA
BRANCH  14  16
ATOM     16  O   LIG    1       -7.787   0.858  -1.501  0.00  0.00    -0.479 OA
ATOM     17  H   LIG    1       -8.667   0.438  -1.582  0.00  0.00    +0.295 HD
ENDBRANCH  14  16
ENDBRANCH  11  14
ENDBRANCH  10  11
ENDBRANCH   1  10
BRANCH   6  18
ATOM     18  O   LIG    1       -0.129  -0.328   2.704  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        0.760  -0.567   1.602  0.00  0.00    +0.235 C 
BRANCH  19  20
ATOM     20  C   LIG    1        2.147  -0.852   2.167  0.00  0.00    +0.100 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.132  -1.160   1.103  0.00  0.00    +0.086 A 
ATOM     22  C   LIG    1        3.553  -2.379   0.615  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1        3.244  -3.788   0.910  0.00  0.00    +0.088 C 
ATOM     24  O   LIG    1        4.471  -2.143  -0.367  0.00  0.00    -0.440 OA
ATOM     25  C   LIG    1        4.565  -0.776  -0.427  0.00  0.00    +0.228 A 
ATOM     26  N   LIG    1        3.779  -0.149   0.428  0.00  0.00    -0.214 NA
BRANCH  25  27
ATOM     27  C   LIG    1        5.500  -0.219  -1.401  0.00  0.00    +0.037 A 
ATOM     28  C   LIG    1        5.662   1.172  -1.489  0.00  0.00    +0.013 A 
ATOM     29  C   LIG    1        6.552   1.734  -2.407  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1        7.292   0.911  -3.253  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        7.143  -0.472  -3.182  0.00  0.00    +0.001 A 
ATOM     32  C   LIG    1        6.253  -1.034  -2.261  0.00  0.00    +0.013 A 
ENDBRANCH  25  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   6  18
TORSDOF 10