REMARK  Name = BDB026370
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.351   0.137   1.635  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1        0.671  -0.903   0.876  0.00  0.00    +0.116 C 
ATOM      3  C   LIG    1        0.176   0.202  -0.003  0.00  0.00    +0.033 C 
ATOM      4  C   LIG    1       -0.002  -0.036  -1.466  0.00  0.00    +0.119 C 
ATOM      5  N   LIG    1       -1.430   0.176  -1.213  0.00  0.00    -0.299 N 
ATOM      6  C   LIG    1       -2.387   0.486  -2.154  0.00  0.00    +0.233 C 
ATOM      7  O   LIG    1       -2.159   0.346  -3.355  0.00  0.00    -0.274 OA
ATOM      8  C   LIG    1       -1.240   0.671   0.152  0.00  0.00    +0.119 C 
ATOM      9  C   LIG    1        1.295   1.050   0.502  0.00  0.00    +0.116 C 
ENDROOT
BRANCH   1  11
ATOM     10  C   LIG    1        2.534   0.165   3.762  0.00  0.00    +0.091 A 
ATOM     11  C   LIG    1        2.547  -0.103   2.377  0.00  0.00    +0.059 A 
ATOM     12  C   LIG    1        3.766  -0.594   1.826  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1        4.837  -0.764   2.701  0.00  0.00    +0.110 A 
ATOM     14  S   LIG    1        6.242  -1.347   1.934  0.00  0.00    -0.073 S 
ATOM     15  C   LIG    1        5.476  -1.395   0.408  0.00  0.00    +0.001 A 
ATOM     16  N   LIG    1        4.849  -0.517   4.025  0.00  0.00    -0.246 NA
ATOM     17  C   LIG    1        4.162  -0.976   0.494  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        3.680  -0.056   4.508  0.00  0.00    +0.132 A 
BRANCH  10  20
ATOM     19  N   LIG    1        0.432   1.062   4.984  0.00  0.00    -0.191 NA
ATOM     20  C   LIG    1        1.365   0.661   4.422  0.00  0.00    +0.103 C 
ENDBRANCH  10  20
BRANCH  15  21
ATOM     21  C   LIG    1        6.230  -1.858  -0.808  0.00  0.00    +0.155 C 
BRANCH  21  22
ATOM     22  C   LIG    1        6.665  -0.715  -1.707  0.00  0.00    +0.394 C 
ATOM     23  F   LIG    1        5.603  -0.014  -2.167  0.00  0.00    -0.170 F 
ATOM     24  F   LIG    1        7.492   0.144  -1.076  0.00  0.00    -0.170 F 
ATOM     25  F   LIG    1        7.325  -1.194  -2.787  0.00  0.00    -0.170 F 
ENDBRANCH  21  22
ENDBRANCH  15  21
ENDBRANCH   1  11
BRANCH   6  26
ATOM     26  C   LIG    1       -3.720   1.006  -1.573  0.00  0.00    +0.144 C 
ATOM     27  C   LIG    1       -4.487  -0.081  -0.799  0.00  0.00    +0.016 C 
ATOM     28  C   LIG    1       -5.309  -0.728  -1.911  0.00  0.00    +0.024 C 
ATOM     29  C   LIG    1       -5.905   0.599  -2.353  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1       -6.547   1.120  -1.057  0.00  0.00    +0.019 C 
ATOM     31  C   LIG    1       -5.586   0.611   0.029  0.00  0.00    +0.007 C 
ATOM     32  N   LIG    1       -4.688   1.378  -2.644  0.00  0.00    -0.303 NA
ATOM     33  H   LIG    1       -4.875   2.378  -2.623  0.00  0.00    +0.123 HD
ENDBRANCH   6  26
TORSDOF 5