REMARK  Name = BDB015617
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.430  -0.558  -0.086  0.00  0.00    +0.145 A 
ATOM      2  N   LIG    1        0.811  -1.739  -0.032  0.00  0.00    -0.178 NA
ATOM      3  C   LIG    1       -0.526  -1.681  -0.027  0.00  0.00    +0.326 A 
ATOM      4  N   LIG    1       -1.255  -0.559  -0.138  0.00  0.00    -0.194 NA
ATOM      5  C   LIG    1       -0.583   0.606  -0.213  0.00  0.00    +0.081 A 
ATOM      6  C   LIG    1        0.795   0.652  -0.220  0.00  0.00    +0.073 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -1.426   1.822  -0.343  0.00  0.00    +0.017 A 
ATOM      8  C   LIG    1       -1.053   2.980   0.239  0.00  0.00    +0.098 A 
ATOM      9  N   LIG    1       -1.816   4.136   0.151  0.00  0.00    -0.318 N 
ATOM     10  C   LIG    1       -1.331   5.339   0.808  0.00  0.00    +0.152 C 
ATOM     11  C   LIG    1       -3.029   4.179  -0.532  0.00  0.00    +0.251 A 
ATOM     12  O   LIG    1       -3.741   5.173  -0.650  0.00  0.00    -0.268 OA
ATOM     13  C   LIG    1       -3.464   2.901  -1.149  0.00  0.00    +0.071 A 
ATOM     14  C   LIG    1       -2.701   1.806  -1.046  0.00  0.00    +0.017 A 
ENDBRANCH   5   7
BRANCH   1  15
ATOM     15  N   LIG    1        2.837  -0.733  -0.151  0.00  0.00    -0.198 N 
ATOM     16  H   LIG    1        3.008  -1.726   0.035  0.00  0.00    +0.175 HD
BRANCH  15  17
ATOM     17  S   LIG    1        3.744   0.224   0.927  0.00  0.00    +0.109 S 
ATOM     18  O   LIG    1        3.286  -0.118   2.259  0.00  0.00    -0.149 OA
ATOM     19  O   LIG    1        3.658   1.597   0.462  0.00  0.00    -0.149 OA
BRANCH  17  20
ATOM     20  C   LIG    1        5.454  -0.434   0.653  0.00  0.00    +0.379 C 
ATOM     21  F   LIG    1        6.271  -0.151   1.708  0.00  0.00    -0.179 F 
ATOM     22  F   LIG    1        5.415  -1.798   0.550  0.00  0.00    -0.179 F 
BRANCH  20  24
ATOM     23  C   LIG    1        7.444  -0.421  -0.897  0.00  0.00    +0.012 C 
ATOM     24  C   LIG    1        6.058   0.143  -0.623  0.00  0.00    +0.099 C 
ENDBRANCH  20  24
ENDBRANCH  17  20
ENDBRANCH  15  17
ENDBRANCH   1  15
BRANCH   3  25
ATOM     25  O   LIG    1       -1.165  -2.915  -0.001  0.00  0.00    -0.420 OA
BRANCH  25  26
ATOM     26  C   LIG    1       -2.490  -2.897   0.365  0.00  0.00    +0.170 A 
ATOM     27  C   LIG    1       -2.859  -2.566   1.672  0.00  0.00    +0.166 A 
ATOM     28  F   LIG    1       -1.925  -2.242   2.578  0.00  0.00    -0.202 F 
ATOM     29  C   LIG    1       -4.195  -2.576   2.056  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -5.173  -2.933   1.130  0.00  0.00    +0.003 A 
ATOM     31  C   LIG    1       -4.810  -3.287  -0.173  0.00  0.00    +0.007 A 
ATOM     32  C   LIG    1       -3.463  -3.285  -0.568  0.00  0.00    -0.005 A 
ATOM     33  C   LIG    1       -3.082  -3.662  -1.970  0.00  0.00    +0.047 C 
ENDBRANCH  25  26
ENDBRANCH   3  25
TORSDOF 7