REMARK  Name = BDB054796
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.598   0.255  -3.557  0.00  0.00    -0.266 OA
ATOM      2  C   LIG    1        1.891   0.589  -2.612  0.00  0.00    +0.270 A 
ATOM      3  C   LIG    1        1.923  -0.133  -1.322  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1        2.838  -1.321  -1.203  0.00  0.00    +0.044 C 
ATOM      5  C   LIG    1        2.510  -2.200   0.012  0.00  0.00    +0.023 C 
ATOM      6  C   LIG    1        2.216  -1.353   1.246  0.00  0.00    +0.102 C 
ATOM      7  N   LIG    1        1.178  -0.385   0.927  0.00  0.00    -0.342 N 
ATOM      8  H   LIG    1        0.781   0.113   1.717  0.00  0.00    +0.146 HD
ATOM      9  C   LIG    1        1.155   0.268  -0.297  0.00  0.00    +0.059 A 
ATOM     10  C   LIG    1        0.269   1.459  -0.554  0.00  0.00    +0.087 A 
ATOM     11  N   LIG    1        0.225   2.101  -1.685  0.00  0.00    -0.174 NA
ATOM     12  N   LIG    1        1.033   1.654  -2.684  0.00  0.00    -0.243 N 
ATOM     13  H   LIG    1        0.997   2.162  -3.562  0.00  0.00    +0.192 HD
ENDROOT
BRANCH  10  14
ATOM     14  C   LIG    1       -0.640   1.966   0.558  0.00  0.00    +0.094 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -1.822   1.065   0.843  0.00  0.00    -0.041 A 
ATOM     16  C   LIG    1       -2.130   0.700   2.163  0.00  0.00    +0.007 A 
ATOM     17  C   LIG    1       -3.230  -0.117   2.431  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1       -4.028  -0.559   1.384  0.00  0.00    +0.123 A 
ATOM     19  F   LIG    1       -5.084  -1.341   1.644  0.00  0.00    -0.205 F 
ATOM     20  C   LIG    1       -3.752  -0.195   0.072  0.00  0.00    +0.038 A 
ATOM     21  C   LIG    1       -2.653   0.622  -0.199  0.00  0.00    +0.007 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
TORSDOF 2