REMARK  Name = BDB048007
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.275  -1.805  -0.171  0.00  0.00    +0.107 A 
ATOM      2  N   LIG    1       -1.566  -1.317  -0.358  0.00  0.00    -0.332 N 
ATOM      3  C   LIG    1       -2.450  -1.940   0.514  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -1.705  -2.814   1.303  0.00  0.00    +0.001 A 
ATOM      5  C   LIG    1       -2.355  -3.573   2.296  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -3.735  -3.443   2.469  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1       -4.466  -2.570   1.671  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -3.839  -1.806   0.682  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -0.359  -2.716   0.875  0.00  0.00    +0.041 A 
ENDROOT
BRANCH   1  12
ATOM     10  N   LIG    1        1.940  -2.313  -0.863  0.00  0.00    -0.180 N 
ATOM     11  H   LIG    1        1.845  -3.200  -0.386  0.00  0.00    +0.177 HD
ATOM     12  C   LIG    1        0.899  -1.389  -0.920  0.00  0.00    +0.280 C 
ATOM     13  O   LIG    1        0.985  -0.337  -1.532  0.00  0.00    -0.267 OA
BRANCH  10  14
ATOM     14  S   LIG    1        3.394  -2.145  -1.640  0.00  0.00    +0.075 S 
ATOM     15  O   LIG    1        3.165  -1.807  -3.026  0.00  0.00    -0.150 OA
ATOM     16  O   LIG    1        4.154  -3.325  -1.282  0.00  0.00    -0.150 OA
BRANCH  14  21
ATOM     17  C   LIG    1        6.023   2.560   1.153  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        5.344   1.402   0.480  0.00  0.00    -0.050 A 
ATOM     19  C   LIG    1        5.459   0.109   1.011  0.00  0.00    +0.005 A 
ATOM     20  C   LIG    1        4.856  -0.975   0.370  0.00  0.00    +0.029 A 
ATOM     21  C   LIG    1        4.136  -0.764  -0.809  0.00  0.00    +0.109 A 
ATOM     22  C   LIG    1        4.041   0.513  -1.365  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.644   1.593  -0.718  0.00  0.00    +0.005 A 
ENDBRANCH  14  21
ENDBRANCH  10  14
ENDBRANCH   1  12
BRANCH   2  24
ATOM     24  C   LIG    1       -1.991  -0.361  -1.385  0.00  0.00    +0.157 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -2.278   1.014  -0.823  0.00  0.00    -0.027 A 
ATOM     26  C   LIG    1       -3.554   1.584  -0.973  0.00  0.00    +0.017 A 
ATOM     27  C   LIG    1       -3.847   2.861  -0.462  0.00  0.00    +0.055 A 
ATOM     28  C   LIG    1       -2.834   3.582   0.183  0.00  0.00    +0.012 A 
ATOM     29  C   LIG    1       -1.560   3.035   0.324  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -1.284   1.762  -0.177  0.00  0.00    +0.005 A 
BRANCH  27  31
ATOM     31  C   LIG    1       -5.221   3.458  -0.641  0.00  0.00    +0.417 C 
ATOM     32  F   LIG    1       -5.350   4.114  -1.827  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -5.546   4.362   0.325  0.00  0.00    -0.166 F 
ATOM     34  F   LIG    1       -6.212   2.523  -0.623  0.00  0.00    -0.166 F 
ENDBRANCH  27  31
ENDBRANCH  24  25
ENDBRANCH   2  24
TORSDOF 6