REMARK  Name = BDB021178
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.519  -0.887  -0.342  0.00  0.00    +0.109 A 
ATOM      2  C   LIG    1       -2.168   0.414   0.143  0.00  0.00    +0.166 A 
ATOM      3  N   LIG    1       -0.829   0.762   0.105  0.00  0.00    -0.270 N 
ATOM      4  C   LIG    1       -0.718   2.025   0.634  0.00  0.00    +0.129 A 
ATOM      5  C   LIG    1       -2.001   2.411   0.960  0.00  0.00    +0.144 A 
ATOM      6  C   LIG    1        0.176  -0.089  -0.393  0.00  0.00    +0.202 A 
ATOM      7  N   LIG    1       -0.156  -1.273  -0.825  0.00  0.00    -0.222 NA
ATOM      8  N   LIG    1       -2.892   1.398   0.646  0.00  0.00    -0.221 NA
ATOM      9  C   LIG    1       -1.484  -1.636  -0.788  0.00  0.00    +0.144 A 
ENDROOT
BRANCH   1  14
ATOM     10  C   LIG    1       -6.681  -3.641  -0.896  0.00  0.00    +0.067 C 
ATOM     11  C   LIG    1       -5.698  -2.579  -0.594  0.00  0.00    +0.056 A 
ATOM     12  N   LIG    1       -6.098  -1.391  -0.056  0.00  0.00    -0.241 NA
ATOM     13  C   LIG    1       -4.998  -0.684   0.081  0.00  0.00    +0.204 A 
ATOM     14  N   LIG    1       -3.858  -1.346  -0.345  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1       -4.334  -2.576  -0.782  0.00  0.00    +0.115 A 
ENDBRANCH   1  14
BRANCH   5  16
ATOM     16  C   LIG    1       -2.401   3.684   1.552  0.00  0.00    +0.261 C 
ATOM     17  O   LIG    1       -1.619   4.586   1.831  0.00  0.00    -0.269 OA
ATOM     18  N   LIG    1       -3.743   3.789   1.773  0.00  0.00    -0.324 N 
ATOM     19  H   LIG    1       -4.355   3.023   1.524  0.00  0.00    +0.145 HD
ATOM     20  H   LIG    1       -4.115   4.636   2.176  0.00  0.00    +0.145 HD
ENDBRANCH   5  16
BRANCH   6  21
ATOM     21  N   LIG    1        1.481   0.355  -0.402  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1        1.626   1.359  -0.395  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1        2.513  -0.363  -1.128  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.857   0.200  -0.771  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1        4.473  -0.062   0.450  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.040  -0.931   1.571  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1        5.041  -0.479   2.634  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1        6.196   0.099   1.982  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1        5.721   0.468   0.750  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1        6.412   1.274  -0.131  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1        5.806   1.566  -1.354  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1        4.546   1.036  -1.660  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1        3.993   1.344  -2.842  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5