REMARK  Name = BDB007275
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.169   1.952   0.153  0.00  0.00    +0.254 C 
ATOM      2  N   LIG    1       -0.252   0.542   0.041  0.00  0.00    -0.185 N 
ATOM      3  C   LIG    1        0.808  -0.361  -0.082  0.00  0.00    +0.126 A 
ATOM      4  C   LIG    1        0.238  -1.612  -0.110  0.00  0.00    +0.073 A 
ATOM      5  C   LIG    1       -1.159  -1.418  -0.005  0.00  0.00    +0.100 A 
ATOM      6  N   LIG    1       -1.446  -0.108   0.064  0.00  0.00    -0.162 NA
ATOM      7  O   LIG    1        0.949   2.470   0.192  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   5   8
ATOM      8  C   LIG    1       -2.179  -2.443  -0.004  0.00  0.00    +0.066 A 
ATOM      9  C   LIG    1       -1.837  -3.893   0.259  0.00  0.00    +0.258 A 
ATOM     10  O   LIG    1       -0.701  -4.295   0.499  0.00  0.00    -0.267 OA
ATOM     11  N   LIG    1       -2.883  -4.792   0.228  0.00  0.00    -0.329 N 
ATOM     12  H   LIG    1       -2.632  -5.756   0.407  0.00  0.00    +0.168 HD
ATOM     13  C   LIG    1       -4.187  -4.452  -0.004  0.00  0.00    +0.086 A 
ATOM     14  C   LIG    1       -4.513  -3.176  -0.224  0.00  0.00    +0.018 A 
ATOM     15  C   LIG    1       -3.483  -2.164  -0.220  0.00  0.00    +0.017 A 
ENDBRANCH   5   8
BRANCH   1  17
ATOM     16  C   LIG    1       -2.344   2.580  -1.029  0.00  0.00    +0.020 C 
ATOM     17  C   LIG    1       -1.481   2.756   0.231  0.00  0.00    +0.043 C 
ATOM     18  C   LIG    1       -2.275   2.438   1.507  0.00  0.00    +0.020 C 
ATOM     19  C   LIG    1       -1.093   4.255   0.302  0.00  0.00    +0.020 C 
ENDBRANCH   1  17
BRANCH   3  20
ATOM     20  N   LIG    1        2.111   0.034  -0.168  0.00  0.00    -0.324 N 
ATOM     21  H   LIG    1        2.321   1.019   0.038  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        3.199  -0.872   0.182  0.00  0.00    +0.145 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.559  -0.284  -0.078  0.00  0.00    +0.008 A 
ATOM     24  S   LIG    1        5.770  -0.316   1.138  0.00  0.00    -0.080 S 
ATOM     25  C   LIG    1        6.879   0.465   0.127  0.00  0.00    +0.078 A 
ATOM     26 CL   LIG    1        8.459   0.813   0.701  0.00  0.00    -0.076 Cl
ATOM     27  C   LIG    1        6.377   0.756  -1.114  0.00  0.00    +0.028 A 
ATOM     28  C   LIG    1        5.024   0.317  -1.235  0.00  0.00    +0.014 A 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   3  20
TORSDOF 5