REMARK  Name = BDB050681
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.529   0.384   0.591  0.00  0.00    -0.003 A 
ATOM      2  C   LIG    1        0.251  -0.136   0.312  0.00  0.00    +0.079 A 
ATOM      3  C   LIG    1       -0.814   0.750   0.064  0.00  0.00    +0.035 A 
ATOM      4  C   LIG    1       -2.101   0.220  -0.212  0.00  0.00    -0.003 A 
ATOM      5  C   LIG    1       -3.202   1.192  -0.448  0.00  0.00    +0.027 A 
ATOM      6  C   LIG    1       -2.928   2.504  -0.425  0.00  0.00    +0.084 A 
ATOM      7  N   LIG    1       -1.677   3.010  -0.209  0.00  0.00    -0.358 N 
ATOM      8  H   LIG    1       -1.541   4.003  -0.062  0.00  0.00    +0.165 HD
ATOM      9  C   LIG    1       -2.290  -1.183  -0.242  0.00  0.00    +0.008 A 
ATOM     10  C   LIG    1       -1.154  -1.975   0.015  0.00  0.00    +0.072 A 
ATOM     11  C   LIG    1       -1.276  -3.358  -0.000  0.00  0.00    +0.028 A 
ATOM     12  C   LIG    1       -2.490  -3.994  -0.263  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -3.617  -3.232  -0.520  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -3.521  -1.840  -0.510  0.00  0.00    +0.010 A 
ATOM     15  C   LIG    1       -0.604   2.150   0.088  0.00  0.00    +0.092 A 
ATOM     16  C   LIG    1        0.669   2.640   0.340  0.00  0.00    +0.159 A 
ATOM     17  O   LIG    1        0.910   3.994   0.348  0.00  0.00    -0.478 OA
ATOM     18  C   LIG    1        2.307   4.215   0.619  0.00  0.00    +0.304 C 
ATOM     19  S   LIG    1        3.208   2.677   0.859  0.00  0.00    -0.081 S 
ATOM     20  N   LIG    1        0.059  -1.466   0.279  0.00  0.00    -0.246 NA
ATOM     21  C   LIG    1        1.723   1.771   0.589  0.00  0.00    +0.060 A 
ENDROOT
BRANCH   1  22
ATOM     22  C   LIG    1        2.680  -0.570   0.850  0.00  0.00    +0.053 C 
BRANCH  22  23
ATOM     23  C   LIG    1        3.322  -1.050  -0.456  0.00  0.00    +0.082 C 
BRANCH  23  24
ATOM     24  N   LIG    1        4.414  -1.990  -0.196  0.00  0.00    -0.330 NA
ATOM     25  H   LIG    1        4.039  -2.809   0.282  0.00  0.00    +0.118 HD
ATOM     26  H   LIG    1        4.779  -2.326  -1.086  0.00  0.00    +0.118 HD
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 3