REMARK  Name = BDB049484
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.141  -0.227   2.071  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -1.224  -0.924   1.517  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -2.488  -0.925   2.132  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -2.645  -0.245   3.344  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.573   0.447   3.905  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.328   0.459   3.271  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        2.406   1.152   2.603  0.00  0.00    -0.269 OA
ATOM      8  C   LIG    1        2.271   0.367   1.668  0.00  0.00    +0.255 C 
ATOM      9  N   LIG    1        1.081  -0.283   1.368  0.00  0.00    -0.281 N 
ATOM     10  H   LIG    1        1.062  -0.820   0.514  0.00  0.00    +0.155 HD
BRANCH   8  11
ATOM     11  C   LIG    1        3.365   0.048   0.748  0.00  0.00    +0.075 A 
ATOM     12  S   LIG    1        4.724   1.097   0.682  0.00  0.00    -0.084 S 
ATOM     13  C   LIG    1        5.502   0.159  -0.512  0.00  0.00    +0.021 A 
ATOM     14  C   LIG    1        4.755  -0.946  -0.854  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1        3.528  -1.015  -0.126  0.00  0.00    +0.021 A 
BRANCH  13  16
ATOM     16  C   LIG    1        6.905   0.526  -1.131  0.00  0.00    -0.004 A 
ATOM     17  C   LIG    1        7.531  -0.235  -2.095  0.00  0.00    +0.054 A 
ATOM     18  S   LIG    1        9.041   0.423  -2.566  0.00  0.00    -0.104 S 
ATOM     19  C   LIG    1        8.868   1.733  -1.481  0.00  0.00    +0.046 A 
ATOM     20  C   LIG    1        7.686   1.668  -0.777  0.00  0.00    +0.016 A 
ENDBRANCH  13  16
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -3.646  -1.689   1.532  0.00  0.00    +0.093 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.836  -1.434   0.042  0.00  0.00    +0.074 A 
ATOM     23  C   LIG    1       -4.470  -0.174  -0.424  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -4.608  -0.003  -1.801  0.00  0.00    +0.050 A 
ATOM     25  C   LIG    1       -5.194   1.157  -2.322  0.00  0.00    +0.014 A 
ATOM     26  C   LIG    1       -5.643   2.154  -1.458  0.00  0.00    +0.001 A 
ATOM     27  C   LIG    1       -5.507   1.991  -0.081  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -4.128  -1.058  -2.708  0.00  0.00    +0.272 A 
ATOM     29  O   LIG    1       -4.230  -0.953  -3.925  0.00  0.00    -0.266 OA
ATOM     30  N   LIG    1       -3.563  -2.158  -2.110  0.00  0.00    -0.242 N 
ATOM     31  H   LIG    1       -3.238  -2.900  -2.722  0.00  0.00    +0.192 HD
ATOM     32  C   LIG    1       -4.923   0.831   0.439  0.00  0.00    +0.010 A 
ATOM     33  N   LIG    1       -3.413  -2.357  -0.774  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 5