REMARK  Name = BDB051373
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.480   1.286   1.135  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1        1.982   0.773   2.332  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1        1.228  -0.144   3.071  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.035  -0.550   2.634  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.536  -0.032   1.440  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1        0.216   0.885   0.697  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        2.418   2.449   0.165  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1        3.754   1.337  -0.450  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1        3.139   0.246  -1.311  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1        2.443   0.386  -2.305  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1        3.460  -0.995  -0.887  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1        2.976  -1.585  -1.503  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1        4.755   2.165  -1.262  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.000   1.401  -1.739  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1        6.831  -0.404  -0.130  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1        6.987   1.024  -0.629  0.00  0.00    -0.003 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   8  13
ENDBRANCH   7   8
ENDBRANCH   1   7
BRANCH   4  17
ATOM     17  O   LIG    1       -0.655  -1.455   3.450  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1       -2.010  -1.811   3.165  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -2.057  -3.014   2.225  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.486  -3.409   1.861  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -4.231  -2.322   1.312  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.916  -1.889   0.054  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1       -4.323  -0.581  -0.232  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1       -4.038   0.018  -1.469  0.00  0.00    -0.041 A 
ATOM     25  C   LIG    1       -3.349  -0.734  -2.429  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -2.963  -2.047  -2.159  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.248  -2.626  -0.921  0.00  0.00    +0.045 A 
BRANCH  24  28
ATOM     28  C   LIG    1       -4.446   1.447  -1.776  0.00  0.00    +0.013 C 
ATOM     29  C   LIG    1       -5.962   1.637  -1.691  0.00  0.00    +0.012 C 
ATOM     30  C   LIG    1       -3.720   2.440  -0.864  0.00  0.00    +0.012 C 
ENDBRANCH  24  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 14