REMARK  Name = BDB001795
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.025  -1.026  -0.533  0.00  0.00    +0.091 C 
ATOM      2  C   LIG    1       -1.261  -1.353  -1.307  0.00  0.00    +0.122 C 
ATOM      3  N   LIG    1       -2.417  -0.906  -0.488  0.00  0.00    -0.176 NA
ATOM      4  C   LIG    1       -2.587  -1.699   0.760  0.00  0.00    +0.109 C 
ATOM      5  C   LIG    1       -1.278  -2.354   1.205  0.00  0.00    +0.018 C 
ATOM      6  C   LIG    1       -0.072  -1.456   0.944  0.00  0.00    +0.015 C 
ENDROOT
BRANCH   1  12
ATOM      7  C   LIG    1        6.478   0.434  -0.680  0.00  0.00    +0.403 C 
ATOM      8  N   LIG    1        5.178  -0.022  -0.766  0.00  0.00    -0.264 N 
ATOM      9  C   LIG    1        4.200   0.153   0.306  0.00  0.00    +0.130 C 
ATOM     10  C   LIG    1        2.751   0.062  -0.190  0.00  0.00    +0.127 C 
ATOM     11  N   LIG    1        2.482  -1.153  -0.973  0.00  0.00    -0.298 N 
ATOM     12  C   LIG    1        1.222  -1.687  -1.213  0.00  0.00    +0.220 C 
ATOM     13  O   LIG    1        1.072  -2.686  -1.918  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        3.636  -1.764  -1.648  0.00  0.00    +0.127 C 
ATOM     15  C   LIG    1        4.752  -0.758  -1.953  0.00  0.00    +0.130 C 
ATOM     16  O   LIG    1        7.307   0.310  -1.573  0.00  0.00    -0.226 OA
BRANCH   7  17
ATOM     17  O   LIG    1        6.735   1.032   0.515  0.00  0.00    -0.451 OA
BRANCH  17  19
ATOM     18  C   LIG    1        8.206   2.153   2.027  0.00  0.00    +0.048 C 
ATOM     19  C   LIG    1        8.075   1.518   0.656  0.00  0.00    +0.230 C 
ENDBRANCH  17  19
ENDBRANCH   7  17
ENDBRANCH   1  12
BRANCH   3  20
ATOM     20  S   LIG    1       -3.840  -0.613  -1.383  0.00  0.00    +0.064 S 
ATOM     21  O   LIG    1       -4.433  -1.908  -1.659  0.00  0.00    -0.153 OA
ATOM     22  O   LIG    1       -3.536   0.297  -2.467  0.00  0.00    -0.153 OA
BRANCH  20  23
ATOM     23  C   LIG    1       -4.892   0.240  -0.238  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -4.522   1.481   0.281  0.00  0.00    +0.146 A 
ATOM     25  C   LIG    1       -5.364   2.126   1.192  0.00  0.00    +0.048 A 
ATOM     26  C   LIG    1       -6.584   1.548   1.553  0.00  0.00    +0.007 A 
ATOM     27  C   LIG    1       -6.967   0.309   1.027  0.00  0.00    -0.048 A 
ATOM     28  C   LIG    1       -8.294  -0.292   1.385  0.00  0.00    +0.044 C 
ATOM     29  C   LIG    1       -6.118  -0.339   0.120  0.00  0.00    +0.035 A 
BRANCH  24  30
ATOM     30  O   LIG    1       -3.312   2.045  -0.016  0.00  0.00    -0.493 OA
ATOM     31  C   LIG    1       -3.474   3.174  -0.878  0.00  0.00    +0.277 C 
ENDBRANCH  24  30
ENDBRANCH  20  23
ENDBRANCH   3  20
TORSDOF 6