REMARK  Name = BDB012721
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.072   0.495  -0.136  0.00  0.00    +0.153 A 
ATOM      2  C   LIG    1        0.514   1.478  -0.989  0.00  0.00    +0.044 A 
ATOM      3  C   LIG    1        1.884   1.220  -0.960  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        2.812   1.978  -1.692  0.00  0.00    +0.031 A 
ATOM      5  C   LIG    1        2.316   3.030  -2.467  0.00  0.00    +0.040 A 
ATOM      6  C   LIG    1        0.954   3.301  -2.502  0.00  0.00    +0.124 A 
ATOM      7  F   LIG    1        0.511   4.317  -3.255  0.00  0.00    -0.205 F 
ATOM      8  N   LIG    1        2.023   0.143  -0.116  0.00  0.00    -0.257 N 
ATOM      9  C   LIG    1        0.035   2.544  -1.777  0.00  0.00    +0.051 A 
ATOM     10  N   LIG    1        0.857  -0.315   0.371  0.00  0.00    -0.155 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        3.259  -0.515   0.234  0.00  0.00    +0.136 C 
ATOM     12  C   LIG    1        3.562  -1.722  -0.633  0.00  0.00    +0.186 C 
ATOM     13  O   LIG    1        4.504  -2.524   0.101  0.00  0.00    -0.378 OA
ATOM     14  C   LIG    1        4.501  -2.083   1.468  0.00  0.00    +0.162 C 
ATOM     15  C   LIG    1        3.345  -1.118   1.625  0.00  0.00    +0.057 C 
ENDBRANCH   8  11
BRANCH   1  16
ATOM     16  N   LIG    1       -1.411   0.431   0.070  0.00  0.00    -0.296 N 
ATOM     17  H   LIG    1       -1.984   1.137  -0.400  0.00  0.00    +0.154 HD
BRANCH  16  19
ATOM     18  C   LIG    1       -3.597  -0.407   0.847  0.00  0.00    +0.062 A 
ATOM     19  C   LIG    1       -2.187  -0.368   0.943  0.00  0.00    +0.063 A 
ATOM     20  C   LIG    1       -1.635  -1.217   1.902  0.00  0.00    +0.134 A 
ATOM     21  N   LIG    1       -2.345  -2.015   2.743  0.00  0.00    -0.261 NA
ATOM     22  C   LIG    1       -3.683  -1.987   2.638  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -4.352  -1.212   1.713  0.00  0.00    +0.034 A 
BRANCH  18  26
ATOM     24  N   LIG    1       -5.542  -0.082  -0.627  0.00  0.00    -0.219 N 
ATOM     25  H   LIG    1       -5.778  -1.064  -0.496  0.00  0.00    +0.167 HD
ATOM     26  C   LIG    1       -4.287   0.413  -0.191  0.00  0.00    +0.258 C 
ATOM     27  O   LIG    1       -3.767   1.436  -0.617  0.00  0.00    -0.269 OA
BRANCH  24  29
ATOM     28  N   LIG    1       -6.577   1.175  -2.510  0.00  0.00    -0.174 NA
ATOM     29  C   LIG    1       -6.068   0.621  -1.631  0.00  0.00    +0.173 C 
ENDBRANCH  24  29
ENDBRANCH  18  26
ENDBRANCH  16  19
ENDBRANCH   1  16
TORSDOF 5