REMARK  Name = BDB007079
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.262  -1.441  -0.563  0.00  0.00    +0.143 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -0.662  -0.329  -0.067  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.453   0.288   1.175  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.270   1.305   1.669  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.357   1.727   0.881  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -3.172   2.749   1.385  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -2.892   3.308   2.627  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -1.802   2.825   3.328  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -2.593   1.128  -0.366  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.990   1.842   2.877  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -1.754   0.113  -0.832  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        0.609  -0.105   1.964  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        0.540   0.479   2.752  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  14
ATOM     14  C   LIG    1       -0.440  -2.804  -0.484  0.00  0.00    +0.017 A 
ATOM     15  C   LIG    1       -0.505  -3.680   0.598  0.00  0.00    -0.038 A 
ATOM     16  C   LIG    1        0.116  -3.448   1.938  0.00  0.00    +0.044 C 
ATOM     17  C   LIG    1       -1.263  -4.854   0.275  0.00  0.00    +0.011 A 
ATOM     18  C   LIG    1       -1.741  -4.843  -1.013  0.00  0.00    +0.046 A 
ATOM     19  S   LIG    1       -1.288  -3.430  -1.848  0.00  0.00    -0.099 S 
ENDBRANCH   1  14
BRANCH   1  20
ATOM     20  N   LIG    1        0.817  -1.144  -1.893  0.00  0.00    -0.318 N 
ATOM     21  H   LIG    1        0.118  -1.223  -2.625  0.00  0.00    +0.148 HD
BRANCH  20  25
ATOM     22  C   LIG    1        4.117   2.314  -0.598  0.00  0.00    +0.044 C 
ATOM     23  C   LIG    1        3.079   1.765  -1.528  0.00  0.00    -0.046 A 
ATOM     24  C   LIG    1        2.459   0.543  -1.248  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        1.471   0.058  -2.099  0.00  0.00    +0.120 A 
ATOM     26  N   LIG    1        1.103   0.721  -3.213  0.00  0.00    -0.240 NA
ATOM     27  C   LIG    1        1.705   1.903  -3.467  0.00  0.00    +0.113 A 
ATOM     28  C   LIG    1        2.681   2.465  -2.663  0.00  0.00    +0.023 A 
ENDBRANCH  20  25
ENDBRANCH   1  20
TORSDOF 5