REMARK  Name = BDB031678
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1        0.006   2.309  -2.819  0.00  0.00    +0.072 S 
ATOM      2  O   LIG    1        0.339   3.545  -2.147  0.00  0.00    -0.150 OA
ATOM      3  O   LIG    1        0.378   2.076  -4.199  0.00  0.00    -0.150 OA
ENDROOT
BRANCH   1   7
ATOM      4  C   LIG    1        1.713  -1.186  -0.341  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        1.464  -1.319  -1.729  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1        0.962  -0.249  -2.488  0.00  0.00    +0.049 A 
ATOM      7  C   LIG    1        0.667   0.962  -1.864  0.00  0.00    +0.110 A 
ATOM      8  C   LIG    1        0.899   1.123  -0.502  0.00  0.00    +0.031 A 
ATOM      9  C   LIG    1        1.395   0.050   0.247  0.00  0.00    +0.026 A 
BRANCH   4  10
ATOM     10  N   LIG    1        2.122  -2.288   0.417  0.00  0.00    -0.341 N 
ATOM     11  H   LIG    1        2.617  -3.000  -0.119  0.00  0.00    +0.146 HD
BRANCH  10  12
ATOM     12  C   LIG    1        2.639  -2.177   1.789  0.00  0.00    +0.129 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.097  -1.698   1.837  0.00  0.00    +0.178 C 
BRANCH  13  15
ATOM     14  C   LIG    1        5.505   0.190   1.681  0.00  0.00    +0.194 C 
ATOM     15  O   LIG    1        4.163  -0.275   1.712  0.00  0.00    -0.381 OA
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  10  12
ENDBRANCH   4  10
BRANCH   5  16
ATOM     16  C   LIG    1        1.715  -2.556  -2.412  0.00  0.00    +0.101 C 
ATOM     17  N   LIG    1        1.917  -3.554  -2.970  0.00  0.00    -0.191 NA
ENDBRANCH   5  16
ENDBRANCH   1   7
BRANCH   1  18
ATOM     18  N   LIG    1       -1.656   2.046  -2.740  0.00  0.00    -0.214 N 
ATOM     19  H   LIG    1       -2.034   1.536  -3.534  0.00  0.00    +0.174 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -2.291   1.947  -1.476  0.00  0.00    +0.072 A 
ATOM     21  C   LIG    1       -2.751   0.719  -0.983  0.00  0.00    +0.071 A 
ATOM     22  C   LIG    1       -3.322   0.583   0.290  0.00  0.00    +0.022 A 
ATOM     23  C   LIG    1       -3.645  -0.802   0.444  0.00  0.00    +0.077 A 
ATOM     24  C   LIG    1       -3.272  -1.459  -0.708  0.00  0.00    +0.102 A 
ATOM     25  C   LIG    1       -3.450   1.735   1.114  0.00  0.00    -0.040 A 
ATOM     26  C   LIG    1       -4.048   1.699   2.496  0.00  0.00    +0.044 C 
ATOM     27  C   LIG    1       -2.979   2.965   0.612  0.00  0.00    +0.006 A 
ATOM     28  N   LIG    1       -2.735  -0.534  -1.559  0.00  0.00    -0.358 N 
ATOM     29  H   LIG    1       -2.369  -0.738  -2.479  0.00  0.00    +0.165 HD
ATOM     30  C   LIG    1       -2.408   3.066  -0.654  0.00  0.00    +0.027 A 
BRANCH  23  31
ATOM     31  C   LIG    1       -4.240  -1.442   1.576  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1       -4.724  -1.961   2.495  0.00  0.00    -0.191 NA
ENDBRANCH  23  31
ENDBRANCH  18  20
ENDBRANCH   1  18
TORSDOF 9