REMARK  Name = BDB003172
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.632   0.912   0.603  0.00  0.00    +0.106 A 
ATOM      2  C   LIG    1        0.577   0.698  -0.287  0.00  0.00    +0.040 A 
ATOM      3  C   LIG    1       -0.636   0.194   0.198  0.00  0.00    +0.026 A 
ATOM      4  C   LIG    1       -0.777  -0.102   1.562  0.00  0.00    +0.012 A 
ATOM      5  C   LIG    1        0.281   0.129   2.445  0.00  0.00    +0.003 A 
ATOM      6  C   LIG    1        1.486   0.642   1.968  0.00  0.00    +0.028 A 
ENDROOT
BRANCH   1   7
ATOM      7  S   LIG    1        3.173   1.576   0.017  0.00  0.00    +0.061 S 
ATOM      8  O   LIG    1        3.001   1.984  -1.361  0.00  0.00    -0.153 OA
ATOM      9  O   LIG    1        3.639   2.507   1.023  0.00  0.00    -0.153 OA
BRANCH   7  10
ATOM     10  N   LIG    1        4.185   0.207   0.039  0.00  0.00    -0.177 NA
BRANCH  10  12
ATOM     11  C   LIG    1        3.701  -2.188  -0.118  0.00  0.00    +0.022 C 
ATOM     12  C   LIG    1        3.854  -0.894  -0.901  0.00  0.00    +0.106 C 
ENDBRANCH  10  12
BRANCH  10  13
ATOM     13  C   LIG    1        5.642   0.473   0.175  0.00  0.00    +0.106 C 
ATOM     14  C   LIG    1        6.213   1.301  -0.965  0.00  0.00    +0.022 C 
ENDBRANCH  10  13
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  15
ATOM     15  C   LIG    1       -1.738  -0.069  -0.768  0.00  0.00    +0.210 C 
ATOM     16  O   LIG    1       -1.420  -0.478  -1.883  0.00  0.00    -0.285 OA
BRANCH  15  17
ATOM     17  C   LIG    1       -3.115   0.137  -0.353  0.00  0.00    +0.097 A 
ATOM     18  N   LIG    1       -4.140  -0.755  -0.645  0.00  0.00    -0.313 N 
ATOM     19  C   LIG    1       -5.318  -0.277  -0.078  0.00  0.00    +0.047 A 
ATOM     20  C   LIG    1       -6.499  -1.060  -0.229  0.00  0.00    +0.026 A 
ATOM     21  C   LIG    1       -6.447  -2.222  -0.905  0.00  0.00    +0.003 A 
ATOM     22  C   LIG    1       -5.208  -2.702  -1.489  0.00  0.00    +0.018 A 
ATOM     23  C   LIG    1       -5.053   0.927   0.528  0.00  0.00    +0.031 A 
ATOM     24  C   LIG    1       -4.093  -1.966  -1.347  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1       -3.673   1.213   0.342  0.00  0.00    -0.021 A 
ATOM     26  C   LIG    1       -2.998   2.460   0.801  0.00  0.00    +0.046 C 
ENDBRANCH  15  17
ENDBRANCH   3  15
TORSDOF 6