REMARK  Name = BDB056717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.278  -0.705   0.746  0.00  0.00    +0.150 C 
ATOM      2  N   LIG    1       -0.002  -0.131  -0.549  0.00  0.00    -0.328 N 
ATOM      3  C   LIG    1        0.874   0.623  -1.295  0.00  0.00    +0.072 A 
ATOM      4  C   LIG    1        0.163   0.924  -2.452  0.00  0.00    +0.090 A 
ATOM      5  C   LIG    1        0.768   1.693  -3.459  0.00  0.00    +0.033 A 
ATOM      6  C   LIG    1        2.083   2.137  -3.271  0.00  0.00    +0.048 A 
ATOM      7  C   LIG    1        2.781   1.808  -2.108  0.00  0.00    +0.132 A 
ATOM      8  N   LIG    1       -1.098   0.389  -2.408  0.00  0.00    -0.229 NA
ATOM      9  C   LIG    1        2.187   1.063  -1.080  0.00  0.00    +0.074 A 
ATOM     10  C   LIG    1       -1.187  -0.234  -1.247  0.00  0.00    +0.148 A 
ENDROOT
BRANCH   7  11
ATOM     11  O   LIG    1        4.045   2.333  -1.963  0.00  0.00    -0.438 OA
BRANCH  11  12
ATOM     12  C   LIG    1        5.100   1.433  -1.839  0.00  0.00    +0.221 A 
ATOM     13  N   LIG    1        4.917   0.114  -2.089  0.00  0.00    -0.218 NA
ATOM     14  C   LIG    1        6.007  -0.680  -1.973  0.00  0.00    +0.153 A 
ATOM     15  C   LIG    1        7.262  -0.213  -1.621  0.00  0.00    +0.142 A 
ATOM     16  F   LIG    1        8.300  -1.051  -1.522  0.00  0.00    -0.204 F 
ATOM     17  C   LIG    1        7.429   1.141  -1.373  0.00  0.00    +0.045 A 
ATOM     18  C   LIG    1        6.327   1.986  -1.487  0.00  0.00    +0.070 A 
ENDBRANCH  11  12
ENDBRANCH   7  11
BRANCH  10  19
ATOM     19  C   LIG    1       -2.390  -0.973  -0.757  0.00  0.00    +0.303 C 
BRANCH  19  20
ATOM     20  O   LIG    1       -2.747  -0.411   0.507  0.00  0.00    -0.484 OA
BRANCH  20  21
ATOM     21  C   LIG    1       -3.837  -0.941   1.139  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -4.136  -0.345   2.367  0.00  0.00    +0.060 A 
ATOM     23  C   LIG    1       -5.230  -0.791   3.117  0.00  0.00    +0.062 A 
ATOM     24  C   LIG    1       -6.008  -1.856   2.658  0.00  0.00    +0.015 A 
ATOM     25  C   LIG    1       -5.711  -2.449   1.432  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -4.631  -1.989   0.671  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1       -5.566  -0.179   4.421  0.00  0.00    +0.337 C 
ATOM     28  O   LIG    1       -5.921  -0.828   5.388  0.00  0.00    -0.245 OA
BRANCH  27  29
ATOM     29  O   LIG    1       -5.481   1.168   4.409  0.00  0.00    -0.477 OA
ATOM     30  H   LIG    1       -5.348   1.562   3.526  0.00  0.00    +0.295 HD
ENDBRANCH  27  29
ENDBRANCH  23  27
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  10  19
TORSDOF 7