REMARK  Name = BDB012886
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.648  -1.487   0.656  0.00  0.00    +0.264 C 
ATOM      2  N   LIG    1        1.287  -1.729   0.781  0.00  0.00    -0.294 N 
ATOM      3  C   LIG    1        0.196  -0.961   0.185  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -0.978  -1.953   0.068  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.681  -2.947   1.191  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.832  -3.058   1.147  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        3.457  -2.391   0.864  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.212   1.606  -0.479  0.00  0.00    +0.066 A 
ATOM      9  N   LIG    1        3.132   2.105   0.133  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1        2.492   1.020   0.598  0.00  0.00    -0.272 N 
ATOM     11  H   LIG    1        1.657   1.167   1.152  0.00  0.00    +0.189 HD
ATOM     12  C   LIG    1        3.086  -0.167   0.276  0.00  0.00    +0.121 A 
ATOM     13  C   LIG    1        4.236   0.195  -0.401  0.00  0.00    +0.057 A 
BRANCH   8  15
ATOM     14  C   LIG    1        5.316   2.273  -2.630  0.00  0.00    +0.014 C 
ATOM     15  C   LIG    1        5.209   2.526  -1.124  0.00  0.00    +0.033 C 
ATOM     16  C   LIG    1        6.585   2.417  -0.464  0.00  0.00    +0.014 C 
ENDBRANCH   8  15
ENDBRANCH   1  12
BRANCH   4  17
ATOM     17  N   LIG    1       -2.295  -1.361   0.207  0.00  0.00    -0.307 N 
ATOM     18  H   LIG    1       -3.013  -1.901   0.677  0.00  0.00    +0.149 HD
ATOM     19  C   LIG    1       -2.720  -0.363  -0.645  0.00  0.00    +0.248 C 
ATOM     20  O   LIG    1       -1.976   0.159  -1.469  0.00  0.00    -0.270 OA
BRANCH  19  21
ATOM     21  C   LIG    1       -4.151   0.052  -0.549  0.00  0.00    +0.079 A 
ATOM     22  C   LIG    1       -4.962  -0.169   0.576  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1       -6.309   0.210   0.562  0.00  0.00    +0.047 A 
ATOM     24  C   LIG    1       -6.842   0.860  -0.550  0.00  0.00    +0.004 A 
ATOM     25  C   LIG    1       -6.037   1.121  -1.656  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -4.699   0.719  -1.656  0.00  0.00    +0.017 A 
BRANCH  22  27
ATOM     27  O   LIG    1       -4.483  -0.814   1.687  0.00  0.00    -0.405 OA
BRANCH  27  28
ATOM     28  C   LIG    1       -4.154   0.121   2.716  0.00  0.00    +0.575 C 
ATOM     29  F   LIG    1       -3.489  -0.540   3.688  0.00  0.00    -0.133 F 
ATOM     30  F   LIG    1       -5.270   0.654   3.254  0.00  0.00    -0.133 F 
ATOM     31  F   LIG    1       -3.357   1.105   2.253  0.00  0.00    -0.133 F 
ENDBRANCH  27  28
ENDBRANCH  22  27
ENDBRANCH  19  21
ENDBRANCH   4  17
TORSDOF 6