REMARK  Name = BDB023262
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.770   1.044   2.176  0.00  0.00    -0.179 N 
ATOM      2  H   LIG    1       -0.174   1.829   2.401  0.00  0.00    +0.177 HD
ATOM      3  C   LIG    1       -0.319  -0.090   1.494  0.00  0.00    +0.298 C 
ATOM      4  O   LIG    1       -1.075  -0.974   1.121  0.00  0.00    -0.265 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        1.111  -0.081   1.245  0.00  0.00    +0.192 A 
ATOM      6  O   LIG    1        1.623  -1.084   0.459  0.00  0.00    -0.450 OA
ATOM      7  C   LIG    1        2.963  -0.887   0.351  0.00  0.00    +0.140 A 
ATOM      8  C   LIG    1        3.338   0.241   1.060  0.00  0.00    +0.056 A 
ATOM      9  C   LIG    1        4.692   0.594   1.049  0.00  0.00    +0.136 A 
ATOM     10  C   LIG    1        5.611  -0.185   0.340  0.00  0.00    +0.062 A 
ATOM     11  C   LIG    1        5.206  -1.331  -0.362  0.00  0.00    +0.036 A 
ATOM     12  F   LIG    1        5.117   1.681   1.709  0.00  0.00    -0.205 F 
ATOM     13  C   LIG    1        3.847  -1.691  -0.368  0.00  0.00    +0.070 A 
ATOM     14  C   LIG    1        2.145   0.755   1.635  0.00  0.00    +0.066 A 
BRANCH  11  15
ATOM     15  N   LIG    1        6.147  -2.096  -1.086  0.00  0.00    -0.324 N 
ATOM     16  C   LIG    1        6.048  -3.484  -1.444  0.00  0.00    +0.143 C 
ATOM     17  C   LIG    1        7.554  -3.436  -1.752  0.00  0.00    +0.200 C 
ATOM     18  F   LIG    1        8.290  -4.494  -1.339  0.00  0.00    -0.242 F 
ATOM     19  C   LIG    1        7.560  -2.197  -0.842  0.00  0.00    +0.143 C 
ENDBRANCH  11  15
ENDBRANCH   3   5
BRANCH   1  20
ATOM     20  S   LIG    1       -2.343   1.264   2.676  0.00  0.00    +0.078 S 
ATOM     21  O   LIG    1       -2.661   0.160   3.551  0.00  0.00    -0.150 OA
ATOM     22  O   LIG    1       -2.379   2.631   3.157  0.00  0.00    -0.150 OA
BRANCH  20  24
ATOM     23  C   LIG    1       -4.381   0.401   1.000  0.00  0.00    +0.147 A 
ATOM     24  C   LIG    1       -3.272   1.224   1.171  0.00  0.00    +0.150 A 
ATOM     25  C   LIG    1       -2.852   2.065   0.123  0.00  0.00    +0.036 A 
ATOM     26  C   LIG    1       -3.530   2.080  -1.106  0.00  0.00    -0.043 A 
ATOM     27  C   LIG    1       -4.644   1.244  -1.261  0.00  0.00    +0.007 A 
ATOM     28  C   LIG    1       -5.073   0.424  -0.214  0.00  0.00    +0.048 A 
BRANCH  26  29
ATOM     29  C   LIG    1       -3.059   2.998  -2.220  0.00  0.00    +0.013 C 
ATOM     30  C   LIG    1       -4.132   4.022  -2.599  0.00  0.00    +0.012 C 
ATOM     31  C   LIG    1       -2.603   2.204  -3.446  0.00  0.00    +0.012 C 
ENDBRANCH  26  29
BRANCH  23  32
ATOM     32  O   LIG    1       -4.897  -0.344   2.022  0.00  0.00    -0.490 OA
BRANCH  32  34
ATOM     33  C   LIG    1       -5.120  -2.472   3.076  0.00  0.00    +0.048 C 
ATOM     34  C   LIG    1       -4.609  -1.738   1.849  0.00  0.00    +0.226 C 
ENDBRANCH  32  34
ENDBRANCH  23  32
ENDBRANCH  20  24
ENDBRANCH   1  20
TORSDOF 7