REMARK  Name = BDB002420
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  S   LIG    1       -0.651   1.887  -1.250  0.00  0.00    +0.061 S 
ATOM      2  O   LIG    1        0.197   2.213  -2.377  0.00  0.00    -0.153 OA
ATOM      3  O   LIG    1       -1.333   2.912  -0.490  0.00  0.00    -0.153 OA
ENDROOT
BRANCH   1   7
ATOM      4  N   LIG    1        3.167   0.460   0.354  0.00  0.00    -0.327 N 
ATOM      5  C   LIG    1        2.268   0.997   1.391  0.00  0.00    +0.122 C 
ATOM      6  C   LIG    1        1.106   1.786   0.761  0.00  0.00    +0.128 C 
ATOM      7  N   LIG    1        0.280   0.950  -0.175  0.00  0.00    -0.174 NA
ATOM      8  C   LIG    1        1.061  -0.168  -0.802  0.00  0.00    +0.128 C 
ATOM      9  C   LIG    1        2.558   0.163  -0.953  0.00  0.00    +0.122 C 
BRANCH   4  13
ATOM     10  C   LIG    1        7.285  -0.211   1.099  0.00  0.00    +0.017 A 
ATOM     11  C   LIG    1        6.815  -0.062  -0.205  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1        5.449   0.159  -0.442  0.00  0.00    +0.024 A 
ATOM     13  C   LIG    1        4.511   0.240   0.599  0.00  0.00    +0.030 A 
ATOM     14  C   LIG    1        5.011   0.086   1.901  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        6.372  -0.137   2.153  0.00  0.00    +0.013 A 
BRANCH  10  17
ATOM     16  C   LIG    1        9.714  -0.526   0.279  0.00  0.00    +0.091 C 
ATOM     17  C   LIG    1        8.725  -0.448   1.413  0.00  0.00    +0.160 C 
ATOM     18  O   LIG    1        9.086  -0.577   2.581  0.00  0.00    -0.292 OA
ENDBRANCH  10  17
ENDBRANCH   4  13
ENDBRANCH   1   7
BRANCH   1  19
ATOM     19  C   LIG    1       -1.892   0.739  -1.792  0.00  0.00    +0.107 A 
ATOM     20  C   LIG    1       -2.680   0.096  -0.835  0.00  0.00    +0.057 A 
ATOM     21  C   LIG    1       -3.654  -0.808  -1.265  0.00  0.00    +0.107 A 
ATOM     22  C   LIG    1       -3.840  -1.073  -2.626  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1       -3.046  -0.420  -3.571  0.00  0.00    +0.004 A 
ATOM     24  C   LIG    1       -2.070   0.489  -3.157  0.00  0.00    +0.028 A 
BRANCH  21  25
ATOM     25  S   LIG    1       -4.654  -1.629  -0.049  0.00  0.00    +0.061 S 
ATOM     26  O   LIG    1       -5.691  -2.367  -0.737  0.00  0.00    -0.153 OA
ATOM     27  O   LIG    1       -3.742  -2.287   0.861  0.00  0.00    -0.153 OA
BRANCH  25  28
ATOM     28  N   LIG    1       -5.387  -0.331   0.766  0.00  0.00    -0.172 NA
ATOM     29  C   LIG    1       -5.954  -0.663   2.111  0.00  0.00    +0.137 C 
ATOM     30  C   LIG    1       -7.358  -1.261   1.990  0.00  0.00    +0.177 C 
ATOM     31  O   LIG    1       -8.237  -0.353   1.310  0.00  0.00    -0.377 OA
ATOM     32  C   LIG    1       -7.764  -0.099  -0.020  0.00  0.00    +0.177 C 
ATOM     33  C   LIG    1       -6.354   0.506  -0.012  0.00  0.00    +0.137 C 
ENDBRANCH  25  28
ENDBRANCH  21  25
ENDBRANCH   1  19
TORSDOF 6