REMARK  Name = BDB036246
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.313   0.576   0.337  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        1.715  -0.708   0.180  0.00  0.00    +0.151 A 
ATOM      3  N   LIG    1        0.336  -0.764   0.220  0.00  0.00    -0.271 N 
ATOM      4  C   LIG    1       -0.018  -2.079   0.021  0.00  0.00    +0.120 A 
ATOM      5  C   LIG    1        1.167  -2.772  -0.116  0.00  0.00    +0.074 A 
ATOM      6  C   LIG    1       -0.475   0.371   0.425  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1        0.088   1.541   0.565  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        2.237  -1.906  -0.003  0.00  0.00    -0.231 NA
ATOM      9  C   LIG    1        1.464   1.613   0.508  0.00  0.00    +0.128 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.438  -0.923   1.954  0.00  0.00    +0.173 C 
ATOM     11  N   LIG    1        4.641   0.143   0.998  0.00  0.00    -0.266 N 
ATOM     12  C   LIG    1        3.710   0.858   0.278  0.00  0.00    +0.074 A 
ATOM     13  C   LIG    1        4.442   1.799  -0.422  0.00  0.00    +0.062 A 
ATOM     14  C   LIG    1        5.801   1.581  -0.081  0.00  0.00    +0.166 A 
ATOM     15  N   LIG    1        5.909   0.570   0.800  0.00  0.00    -0.167 NA
BRANCH  14  16
ATOM     16  C   LIG    1        6.990   2.346  -0.597  0.00  0.00    +0.436 C 
ATOM     17  F   LIG    1        6.619   3.315  -1.482  0.00  0.00    -0.164 F 
ATOM     18  F   LIG    1        7.672   2.980   0.394  0.00  0.00    -0.164 F 
ATOM     19  F   LIG    1        7.881   1.554  -1.251  0.00  0.00    -0.164 F 
ENDBRANCH  14  16
ENDBRANCH   1  12
BRANCH   6  20
ATOM     20  N   LIG    1       -1.843   0.208   0.469  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -2.188  -0.713   0.715  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -2.710   1.278   0.931  0.00  0.00    +0.143 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.137   0.925   0.626  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1       -4.673   1.042  -0.653  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -4.063   1.564  -1.900  0.00  0.00    +0.080 C 
ATOM     26  C   LIG    1       -5.121   1.106  -2.904  0.00  0.00    +0.234 C 
ATOM     27  O   LIG    1       -6.374   0.902  -2.211  0.00  0.00    -0.491 OA
ATOM     28  C   LIG    1       -5.998   0.711  -0.907  0.00  0.00    +0.124 A 
ATOM     29  C   LIG    1       -6.845   0.251   0.081  0.00  0.00    +0.049 A 
ATOM     30  C   LIG    1       -6.324   0.106   1.367  0.00  0.00    +0.042 A 
ATOM     31  C   LIG    1       -4.987   0.437   1.626  0.00  0.00    +0.129 A 
ATOM     32  F   LIG    1       -4.519   0.274   2.872  0.00  0.00    -0.205 F 
ENDBRANCH  22  23
ENDBRANCH  20  22
ENDBRANCH   6  20
BRANCH   5  33
ATOM     33  C   LIG    1        1.374  -4.233  -0.360  0.00  0.00    +0.135 C 
BRANCH  33  34
ATOM     34  N   LIG    1        2.612  -4.662   0.290  0.00  0.00    -0.325 NA
ATOM     35  H   LIG    1        2.542  -4.431   1.280  0.00  0.00    +0.119 HD
ATOM     36  H   LIG    1        3.345  -4.035  -0.055  0.00  0.00    +0.119 HD
ENDBRANCH  33  34
ENDBRANCH   5  33
TORSDOF 7