REMARK  Name = BDB001805
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.310  -0.852   1.278  0.00  0.00    +0.191 A 
ATOM      2  N   LIG    1        0.062  -1.010   0.771  0.00  0.00    -0.304 N 
ATOM      3  H   LIG    1       -0.337  -1.825   0.324  0.00  0.00    +0.171 HD
ATOM      4  C   LIG    1       -0.574   0.185   0.968  0.00  0.00    +0.222 A 
ATOM      5  N   LIG    1        0.250   1.017   1.565  0.00  0.00    -0.112 NA
ATOM      6  N   LIG    1        1.447   0.358   1.764  0.00  0.00    -0.121 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -1.865   0.455   0.597  0.00  0.00    -0.251 N 
ATOM      8  H   LIG    1       -2.181   1.398   0.779  0.00  0.00    +0.158 HD
ATOM      9  C   LIG    1       -2.647  -0.474  -0.055  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1       -2.262  -1.593  -0.386  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1       -4.033  -0.041  -0.387  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1       -4.736   0.880   0.401  0.00  0.00    +0.013 A 
ATOM     13  C   LIG    1       -6.035   1.252   0.047  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -6.638   0.703  -1.084  0.00  0.00    +0.000 A 
ATOM     15  C   LIG    1       -5.949  -0.226  -1.862  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1       -4.651  -0.603  -1.513  0.00  0.00    +0.013 A 
ENDBRANCH   9  11
ENDBRANCH   4   7
BRANCH   1  17
ATOM     17  S   LIG    1        2.459  -2.127   1.228  0.00  0.00    -0.075 S 
BRANCH  17  18
ATOM     18  C   LIG    1        3.928  -1.290   1.895  0.00  0.00    +0.197 C 
BRANCH  18  19
ATOM     19  C   LIG    1        4.465  -0.168   1.033  0.00  0.00    +0.317 C 
ATOM     20  O   LIG    1        5.107   0.771   1.494  0.00  0.00    -0.250 OA
BRANCH  19  21
ATOM     21  O   LIG    1        4.256  -0.372  -0.297  0.00  0.00    -0.464 OA
BRANCH  21  23
ATOM     22  C   LIG    1        6.180   0.380  -1.556  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1        4.738   0.655  -1.175  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 7