REMARK  Name = BDB004666
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.315  -0.513  -0.840  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -3.090  -1.114  -0.478  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.946  -0.293  -0.453  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.734  -0.909  -0.073  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.654  -2.217   0.212  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.789  -2.911   0.151  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -2.041   1.076  -0.808  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -3.255   1.646  -1.166  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.995  -2.426  -0.166  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -4.390   0.853  -1.177  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -5.613  -2.586  -0.578  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -4.752  -3.063  -0.326  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -6.479  -3.102  -0.633  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -5.610  -1.261  -0.899  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -6.656  -0.710  -1.226  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.446  -0.138  -0.014  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.290   0.665   0.588  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.642  -0.867   0.389  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.804   0.102   0.443  0.00  0.00    -0.030 A 
ATOM     20  C   LIG    1        3.337   0.520   1.672  0.00  0.00    +0.017 A 
ATOM     21  C   LIG    1        4.411   1.426   1.723  0.00  0.00    +0.055 A 
ATOM     22  C   LIG    1        4.935   1.927   0.522  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1        4.407   1.523  -0.704  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        3.347   0.617  -0.743  0.00  0.00    +0.005 A 
BRANCH  21  25
ATOM     25  C   LIG    1        4.963   1.881   3.051  0.00  0.00    +0.417 C 
ATOM     26  F   LIG    1        4.266   2.932   3.567  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1        6.261   2.288   2.986  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.927   0.907   4.004  0.00  0.00    -0.166 F 
ENDBRANCH  21  25
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 5