REMARK  Name = BDB002486
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.672   1.078   0.129  0.00  0.00    -0.240 N 
ATOM      2  C   LIG    1        1.710   2.450   0.398  0.00  0.00    +0.300 A 
ATOM      3  O   LIG    1        2.591   3.128   0.903  0.00  0.00    -0.259 OA
ATOM      4  S   LIG    1        0.216   3.185  -0.181  0.00  0.00    -0.007 S 
ATOM      5  C   LIG    1       -0.455   1.633  -0.688  0.00  0.00    +0.139 A 
ATOM      6  C   LIG    1        0.475   0.674  -0.456  0.00  0.00    +0.230 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        6.314  -2.220   1.071  0.00  0.00    +0.044 C 
ATOM      8  C   LIG    1        5.093  -1.380   0.841  0.00  0.00    -0.050 A 
ATOM      9  C   LIG    1        4.806  -0.300   1.677  0.00  0.00    +0.005 A 
ATOM     10  C   LIG    1        3.687   0.508   1.442  0.00  0.00    +0.026 A 
ATOM     11  C   LIG    1        2.826   0.259   0.364  0.00  0.00    +0.053 A 
ATOM     12  C   LIG    1        3.142  -0.812  -0.487  0.00  0.00    +0.026 A 
ATOM     13  C   LIG    1        4.261  -1.620  -0.254  0.00  0.00    +0.005 A 
ENDBRANCH   1  11
BRANCH   6  14
ATOM     14  O   LIG    1        0.265  -0.660  -0.706  0.00  0.00    -0.492 OA
ATOM     15  H   LIG    1        0.677  -1.146   0.027  0.00  0.00    +0.294 HD
ENDBRANCH   6  14
BRANCH   5  16
ATOM     16  N   LIG    1       -1.732   1.460  -1.250  0.00  0.00    -0.280 N 
BRANCH  16  17
ATOM     17  C   LIG    1       -2.506   0.280  -1.060  0.00  0.00    +0.035 A 
ATOM     18  C   LIG    1       -2.692  -0.268   0.221  0.00  0.00    +0.026 A 
ATOM     19  C   LIG    1       -3.479  -1.412   0.419  0.00  0.00    -0.049 A 
ATOM     20  C   LIG    1       -3.639  -1.993   1.792  0.00  0.00    +0.044 C 
ATOM     21  C   LIG    1       -4.067  -2.032  -0.688  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -3.892  -1.503  -1.966  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -3.120  -0.354  -2.149  0.00  0.00    +0.023 A 
ENDBRANCH  16  17
BRANCH  16  24
ATOM     24  C   LIG    1       -2.567   2.599  -1.704  0.00  0.00    +0.231 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.528   3.137  -0.654  0.00  0.00    +0.323 C 
ATOM     26  O   LIG    1       -4.586   3.702  -0.900  0.00  0.00    -0.249 OA
BRANCH  25  27
ATOM     27  O   LIG    1       -3.122   3.030   0.627  0.00  0.00    -0.480 OA
ATOM     28  H   LIG    1       -3.848   3.439   1.141  0.00  0.00    +0.295 HD
ENDBRANCH  25  27
ENDBRANCH  24  25
ENDBRANCH  16  24
ENDBRANCH   5  16
TORSDOF 7