REMARK  Name = BDB001168
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.644   2.147  -0.945  0.00  0.00    +0.023 A 
ATOM      2  C   LIG    1       -0.138   1.750   0.281  0.00  0.00    +0.050 A 
ATOM      3  C   LIG    1        1.276   1.801   0.741  0.00  0.00    +0.066 C 
ATOM      4  N   LIG    1       -1.078   1.228   1.157  0.00  0.00    -0.244 NA
ATOM      5  C   LIG    1       -2.284   1.228   0.619  0.00  0.00    +0.109 A 
ATOM      6  S   LIG    1       -2.343   1.905  -0.962  0.00  0.00    -0.071 S 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -3.490   0.718   1.305  0.00  0.00    +0.007 A 
ATOM      8  C   LIG    1       -3.399   0.363   2.663  0.00  0.00    +0.011 A 
ATOM      9  C   LIG    1       -4.504  -0.131   3.365  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -5.739  -0.291   2.722  0.00  0.00    +0.055 A 
ATOM     11  C   LIG    1       -5.843   0.064   1.370  0.00  0.00    +0.013 A 
ATOM     12  C   LIG    1       -4.733   0.557   0.671  0.00  0.00    +0.011 A 
BRANCH  10  13
ATOM     13  C   LIG    1       -6.939  -0.801   3.483  0.00  0.00    +0.417 C 
ATOM     14  F   LIG    1       -6.621  -1.752   4.407  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -7.885  -1.366   2.681  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -7.575   0.187   4.170  0.00  0.00    -0.166 F 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  17
ATOM     17  C   LIG    1        0.052   2.732  -2.133  0.00  0.00    +0.118 C 
BRANCH  17  18
ATOM     18  S   LIG    1        0.219   1.539  -3.506  0.00  0.00    -0.120 S 
BRANCH  18  24
ATOM     19  C   LIG    1        1.566  -2.879  -0.965  0.00  0.00    +0.047 C 
ATOM     20  C   LIG    1        2.004  -1.611  -1.638  0.00  0.00    -0.008 A 
ATOM     21  C   LIG    1        3.362  -1.274  -1.733  0.00  0.00    +0.124 A 
ATOM     22  C   LIG    1        3.761  -0.114  -2.399  0.00  0.00    +0.047 A 
ATOM     23  C   LIG    1        2.803   0.748  -2.935  0.00  0.00    +0.018 A 
ATOM     24  C   LIG    1        1.444   0.447  -2.817  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1        1.051  -0.738  -2.185  0.00  0.00    +0.021 A 
BRANCH  21  26
ATOM     26  O   LIG    1        4.283  -2.148  -1.220  0.00  0.00    -0.481 OA
BRANCH  26  27
ATOM     27  C   LIG    1        5.062  -1.580  -0.172  0.00  0.00    +0.349 C 
BRANCH  27  28
ATOM     28  C   LIG    1        6.472  -1.148  -0.578  0.00  0.00    +0.343 C 
ATOM     29  O   LIG    1        6.925  -1.174  -1.714  0.00  0.00    -0.247 OA
BRANCH  28  30
ATOM     30  O   LIG    1        7.209  -0.700   0.474  0.00  0.00    -0.478 OA
ATOM     31  H   LIG    1        6.750  -0.740   1.336  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  21  26
ENDBRANCH  18  24
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9