REMARK  Name = BDB051365
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.516  -0.517  -1.124  0.00  0.00    +0.009 A 
ATOM      2  C   LIG    1       -1.798   0.328  -0.276  0.00  0.00    +0.018 A 
ATOM      3  C   LIG    1       -0.673  -0.150   0.401  0.00  0.00    +0.047 A 
ATOM      4  C   LIG    1       -0.242  -1.466   0.228  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1       -0.950  -2.308  -0.629  0.00  0.00    +0.047 A 
ATOM      6  C   LIG    1       -2.080  -1.832  -1.307  0.00  0.00    +0.018 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1       -3.945   0.115  -1.980  0.00  0.00    -0.111 S 
BRANCH   7   8
ATOM      8  C   LIG    1       -5.275  -0.949  -1.258  0.00  0.00    +0.160 C 
BRANCH   8   9
ATOM      9  C   LIG    1       -6.565  -0.857  -2.070  0.00  0.00    +0.318 C 
ATOM     10  O   LIG    1       -7.528  -1.588  -1.876  0.00  0.00    -0.250 OA
BRANCH   9  11
ATOM     11  O   LIG    1       -6.593   0.107  -3.019  0.00  0.00    -0.480 OA
ATOM     12  H   LIG    1       -5.740   0.590  -3.057  0.00  0.00    +0.295 HD
ENDBRANCH   9  11
ENDBRANCH   8   9
BRANCH   8  13
ATOM     13  C   LIG    1       -5.544  -0.696   0.235  0.00  0.00    +0.026 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -6.376   0.536   0.626  0.00  0.00    +0.001 C 
BRANCH  14  16
ATOM     15  C   LIG    1       -6.495   3.023   1.000  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.705   1.884   0.371  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        0.866  -1.802   0.951  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.474  -3.061   0.673  0.00  0.00    +0.232 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.771  -3.194   1.472  0.00  0.00    +0.082 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.884  -2.275   0.964  0.00  0.00    +0.232 C 
BRANCH  20  21
ATOM     21  O   LIG    1        3.559  -0.920   1.261  0.00  0.00    -0.492 OA
BRANCH  21  22
ATOM     22  C   LIG    1        4.401   0.046   0.784  0.00  0.00    +0.121 A 
ATOM     23  C   LIG    1        5.632  -0.168   0.163  0.00  0.00    +0.049 A 
ATOM     24  C   LIG    1        6.414   0.914  -0.285  0.00  0.00    -0.044 A 
ATOM     25  C   LIG    1        7.736   0.640  -0.950  0.00  0.00    +0.044 C 
ATOM     26  C   LIG    1        5.947   2.231  -0.100  0.00  0.00    -0.047 A 
ATOM     27  C   LIG    1        6.745   3.420  -0.559  0.00  0.00    +0.044 C 
ATOM     28  C   LIG    1        4.712   2.435   0.529  0.00  0.00    +0.007 A 
ATOM     29  C   LIG    1        3.949   1.351   0.967  0.00  0.00    +0.046 A 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   4  17
TORSDOF 13