REMARK  Name = BDB028845
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.836  -2.840   1.827  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1       -1.276  -1.577   2.239  0.00  0.00    +0.110 A 
ATOM      3  N   LIG    1       -2.381  -1.398   3.018  0.00  0.00    -0.248 NA
ATOM      4  C   LIG    1       -3.075  -2.493   3.392  0.00  0.00    +0.112 A 
ATOM      5  C   LIG    1       -2.728  -3.778   3.028  0.00  0.00    +0.020 A 
ATOM      6  C   LIG    1       -1.598  -3.948   2.234  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.335  -2.193   0.843  0.00  0.00    -0.309 N 
ATOM      8  H   LIG    1        1.165  -1.273   1.232  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        0.333  -3.134   0.947  0.00  0.00    +0.247 C 
ATOM     10  O   LIG    1        0.389  -4.208   0.351  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.313  -2.258  -0.229  0.00  0.00    +0.132 C 
BRANCH  11  12
ATOM     12  C   LIG    1        1.771  -1.621  -1.515  0.00  0.00    +0.178 C 
BRANCH  12  13
ATOM     13  O   LIG    1        1.525  -0.215  -1.344  0.00  0.00    -0.376 OA
BRANCH  13  14
ATOM     14  C   LIG    1        2.695   0.576  -1.560  0.00  0.00    +0.188 C 
BRANCH  14  15
ATOM     15  C   LIG    1        2.357   2.046  -1.340  0.00  0.00    +0.187 C 
BRANCH  15  17
ATOM     16  C   LIG    1        3.248   4.224  -1.401  0.00  0.00    +0.194 C 
ATOM     17  O   LIG    1        3.519   2.839  -1.573  0.00  0.00    -0.381 OA
ENDBRANCH  15  17
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  18
ATOM     18  S   LIG    1       -0.474  -0.028   1.850  0.00  0.00    -0.092 S 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.770   0.720   0.795  0.00  0.00    +0.139 C 
ATOM     20  C   LIG    1       -1.823   0.025  -0.566  0.00  0.00    +0.233 C 
ATOM     21  O   LIG    1       -1.816  -1.196  -0.714  0.00  0.00    -0.274 OA
ATOM     22  N   LIG    1       -1.975   0.837  -1.666  0.00  0.00    -0.255 N 
ATOM     23  H   LIG    1       -2.013   0.359  -2.556  0.00  0.00    +0.158 HD
ATOM     24  C   LIG    1       -2.332   2.161  -1.683  0.00  0.00    +0.219 C 
ATOM     25  O   LIG    1       -2.644   2.726  -2.727  0.00  0.00    -0.275 OA
ATOM     26  C   LIG    1       -2.401   2.847  -0.343  0.00  0.00    +0.098 C 
ATOM     27  C   LIG    1       -1.435   2.204   0.638  0.00  0.00    +0.033 C 
ENDBRANCH  18  19
ENDBRANCH   2  18
TORSDOF 9