REMARK  Name = BDB033775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.027  -2.601  -0.036  0.00  0.00    +0.223 A 
ATOM      2  N   LIG    1       -0.714  -1.499   0.282  0.00  0.00    -0.179 NA
ATOM      3  C   LIG    1       -1.899  -1.657   0.903  0.00  0.00    +0.231 A 
ATOM      4  C   LIG    1       -2.438  -2.877   1.214  0.00  0.00    +0.134 A 
ATOM      5  C   LIG    1       -1.666  -3.951   0.850  0.00  0.00    +0.132 A 
ATOM      6  N   LIG    1       -0.474  -3.838   0.230  0.00  0.00    -0.222 NA
ENDROOT
BRANCH   4   7
ATOM      7  C   LIG    1       -3.745  -3.030   1.893  0.00  0.00    +0.424 C 
ATOM      8  F   LIG    1       -3.769  -2.497   3.145  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1       -4.778  -2.464   1.211  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1       -4.101  -4.339   2.056  0.00  0.00    -0.166 F 
ENDBRANCH   4   7
BRANCH   1  11
ATOM     11  N   LIG    1        1.207  -2.553  -0.677  0.00  0.00    -0.284 N 
ATOM     12  H   LIG    1        1.545  -3.498  -0.793  0.00  0.00    +0.155 HD
BRANCH  11  16
ATOM     13  C   LIG    1        3.861   0.460  -1.960  0.00  0.00    +0.105 A 
ATOM     14  C   LIG    1        2.677   0.829  -1.322  0.00  0.00    +0.030 A 
ATOM     15  C   LIG    1        1.785  -0.162  -0.894  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        2.063  -1.521  -1.076  0.00  0.00    +0.034 A 
ATOM     17  C   LIG    1        3.267  -1.863  -1.718  0.00  0.00    +0.025 A 
ATOM     18  C   LIG    1        4.167  -0.885  -2.155  0.00  0.00    +0.030 A 
BRANCH  13  19
ATOM     19  S   LIG    1        4.984   1.718  -2.503  0.00  0.00    +0.056 S 
ATOM     20  O   LIG    1        6.213   1.087  -2.925  0.00  0.00    -0.153 OA
ATOM     21  O   LIG    1        4.952   2.801  -1.551  0.00  0.00    -0.153 OA
BRANCH  19  22
ATOM     22  N   LIG    1        4.242   2.243  -3.922  0.00  0.00    -0.204 NA
ATOM     23  H   LIG    1        3.302   1.868  -4.047  0.00  0.00    +0.144 HD
ATOM     24  H   LIG    1        4.851   2.023  -4.711  0.00  0.00    +0.144 HD
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH  11  16
ENDBRANCH   1  11
BRANCH   3  25
ATOM     25  O   LIG    1       -2.635  -0.543   1.243  0.00  0.00    -0.470 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.029   0.728   0.958  0.00  0.00    +0.208 C 
ATOM     27  C   LIG    1       -3.137   1.789   0.870  0.00  0.00    +0.181 C 
ATOM     28  C   LIG    1       -2.504   3.143   0.508  0.00  0.00    +0.194 C 
ATOM     29  O   LIG    1       -1.120   3.235   0.878  0.00  0.00    -0.377 OA
ATOM     30  C   LIG    1       -0.852   2.630   2.142  0.00  0.00    +0.163 C 
ATOM     31  C   LIG    1       -1.035   1.118   2.059  0.00  0.00    +0.075 C 
BRANCH  27  32
ATOM     32  O   LIG    1       -3.807   1.895   2.139  0.00  0.00    -0.386 OA
ATOM     33  H   LIG    1       -4.590   2.457   2.011  0.00  0.00    +0.210 HD
ENDBRANCH  27  32
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 8