REMARK  Name = BDB064087
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -1.583  -1.689   0.256  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1       -1.424  -0.505   0.003  0.00  0.00    +0.271 C 
ATOM      3  N   LIG    1       -2.341   0.517  -0.251  0.00  0.00    -0.217 N 
ATOM      4  C   LIG    1       -1.651   1.720  -0.483  0.00  0.00    +0.148 C 
ATOM      5  S   LIG    1       -2.148   3.237  -0.952  0.00  0.00    -0.018 S 
ATOM      6  N   LIG    1       -0.295   1.462  -0.326  0.00  0.00    -0.292 N 
ATOM      7  H   LIG    1        0.466   2.126  -0.450  0.00  0.00    +0.154 HD
ATOM      8  C   LIG    1       -0.086   0.149  -0.050  0.00  0.00    +0.098 C 
ATOM      9  C   LIG    1        1.089  -0.461   0.137  0.00  0.00    +0.058 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        2.378   0.163   0.079  0.00  0.00    +0.095 A 
ATOM     11  C   LIG    1        3.619  -0.512   0.299  0.00  0.00    +0.027 A 
ATOM     12  C   LIG    1        4.593   0.468   0.143  0.00  0.00    +0.066 A 
ATOM     13  C   LIG    1        5.962   0.218   0.278  0.00  0.00    +0.028 A 
ATOM     14  C   LIG    1        6.343  -1.092   0.585  0.00  0.00    +0.002 A 
ATOM     15  C   LIG    1        5.393  -2.099   0.747  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        3.906   1.614  -0.145  0.00  0.00    -0.276 N 
ATOM     17  H   LIG    1        4.293   2.534  -0.322  0.00  0.00    +0.189 HD
ATOM     18  C   LIG    1        4.026  -1.825   0.608  0.00  0.00    +0.012 A 
ATOM     19  N   LIG    1        2.571   1.465  -0.192  0.00  0.00    -0.173 NA
ENDBRANCH   9  10
BRANCH   3  20
ATOM     20  C   LIG    1       -3.752   0.297  -0.262  0.00  0.00    +0.043 A 
ATOM     21  C   LIG    1       -4.669   1.297   0.091  0.00  0.00    +0.024 A 
ATOM     22  C   LIG    1       -6.050   1.061   0.078  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1       -6.543  -0.188  -0.281  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -5.655  -1.201  -0.620  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1       -4.277  -0.962  -0.605  0.00  0.00    +0.024 A 
ENDBRANCH   3  20
TORSDOF 2