REMARK  Name = BDB015576
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.307  -0.575   0.937  0.00  0.00    +0.326 A 
ATOM      2  N   LIG    1        0.070   0.713   0.918  0.00  0.00    -0.194 NA
ATOM      3  C   LIG    1       -0.702   1.567   0.219  0.00  0.00    +0.081 A 
ATOM      4  C   LIG    1       -1.828   1.145  -0.454  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -2.124  -0.192  -0.334  0.00  0.00    +0.145 A 
ATOM      6  N   LIG    1       -1.398  -1.077   0.351  0.00  0.00    -0.178 NA
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.222   2.972   0.181  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.097   3.998   0.199  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -0.687   5.324   0.176  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.701   6.366   0.195  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1        0.657   5.691   0.147  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1        1.075   6.845   0.122  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1        1.629   4.568   0.154  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1        1.198   3.301   0.175  0.00  0.00    +0.017 A 
ENDBRANCH   3   7
BRANCH   5  15
ATOM     15  N   LIG    1       -3.214  -0.756  -1.032  0.00  0.00    -0.203 N 
ATOM     16  H   LIG    1       -4.003  -0.143  -1.226  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1       -2.806  -1.608  -2.423  0.00  0.00    +0.047 S 
ATOM     18  O   LIG    1       -4.022  -1.623  -3.211  0.00  0.00    -0.155 OA
ATOM     19  O   LIG    1       -1.590  -1.043  -2.970  0.00  0.00    -0.155 OA
BRANCH  17  20
ATOM     20  C   LIG    1       -2.490  -3.284  -1.819  0.00  0.00    +0.145 C 
ATOM     21  C   LIG    1       -2.181  -4.202  -2.999  0.00  0.00    +0.033 C 
ATOM     22  C   LIG    1       -3.664  -3.822  -1.009  0.00  0.00    +0.033 C 
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   5  15
BRANCH   1  23
ATOM     23  O   LIG    1        0.462  -1.476   1.647  0.00  0.00    -0.420 OA
BRANCH  23  26
ATOM     24  C   LIG    1        2.249  -0.924  -1.016  0.00  0.00    +0.071 C 
ATOM     25  C   LIG    1        2.630  -1.216   0.388  0.00  0.00    +0.102 A 
ATOM     26  C   LIG    1        1.806  -1.451   1.517  0.00  0.00    +0.175 A 
ATOM     27  C   LIG    1        2.660  -1.758   2.553  0.00  0.00    +0.078 A 
ATOM     28  C   LIG    1        2.397  -2.131   3.963  0.00  0.00    +0.069 C 
ATOM     29  N   LIG    1        3.918  -1.633   2.022  0.00  0.00    -0.268 N 
ATOM     30  C   LIG    1        5.176  -1.827   2.706  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1        3.926  -1.316   0.714  0.00  0.00    -0.173 NA
ENDBRANCH  23  26
ENDBRANCH   1  23
TORSDOF 6