REMARK  Name = BDB025590
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.449  -1.484  -0.780  0.00  0.00    +0.241 C 
ATOM      2  N   LIG    1        0.892  -1.777  -0.983  0.00  0.00    -0.286 N 
ATOM      3  C   LIG    1        1.958  -1.883   0.035  0.00  0.00    +0.164 C 
ATOM      4  C   LIG    1        3.116  -2.595  -0.683  0.00  0.00    +0.065 C 
ATOM      5  C   LIG    1        2.424  -3.401  -1.768  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1        1.287  -2.479  -2.204  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -1.240  -1.557  -1.725  0.00  0.00    -0.273 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        2.478  -0.527   0.546  0.00  0.00    +0.234 C 
ATOM      9  N   LIG    1        2.273   0.514  -0.340  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1        1.653   0.312  -1.123  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1        3.123  -0.461   1.588  0.00  0.00    -0.274 OA
BRANCH   9  12
ATOM     12  C   LIG    1        2.597   1.931  -0.140  0.00  0.00    +0.130 C 
ATOM     13  C   LIG    1        2.509   2.536   1.252  0.00  0.00    +0.037 C 
ATOM     14  C   LIG    1        3.853   2.326   0.620  0.00  0.00    +0.037 C 
BRANCH  12  15
ATOM     15  C   LIG    1        2.220   2.827  -1.325  0.00  0.00    +0.411 C 
ATOM     16  F   LIG    1        3.080   2.619  -2.353  0.00  0.00    -0.168 F 
ATOM     17  F   LIG    1        0.980   2.517  -1.777  0.00  0.00    -0.168 F 
ATOM     18  F   LIG    1        2.244   4.145  -1.025  0.00  0.00    -0.168 F 
ENDBRANCH  12  15
ENDBRANCH   9  12
ENDBRANCH   3   8
BRANCH   5  19
ATOM     19  O   LIG    1        1.894  -4.598  -1.200  0.00  0.00    -0.390 OA
ATOM     20  H   LIG    1        2.642  -5.194  -1.016  0.00  0.00    +0.210 HD
ENDBRANCH   5  19
BRANCH   1  21
ATOM     21  C   LIG    1       -0.919  -1.022   0.610  0.00  0.00    +0.200 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -1.159   0.416   0.586  0.00  0.00    -0.239 N 
ATOM     23  N   LIG    1       -0.621   1.190   1.552  0.00  0.00    -0.065 NA
ATOM     24  N   LIG    1       -0.924   2.451   1.275  0.00  0.00    -0.134 NA
ATOM     25  C   LIG    1       -1.661   2.458   0.130  0.00  0.00    +0.086 A 
ATOM     26  C   LIG    1       -1.820   1.177  -0.334  0.00  0.00    +0.134 A 
BRANCH  25  27
ATOM     27  C   LIG    1       -2.199   3.731  -0.555  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -3.687   3.934  -0.670  0.00  0.00    +0.010 C 
ATOM     29  C   LIG    1       -2.890   4.774   0.284  0.00  0.00    +0.010 C 
ENDBRANCH  25  27
ENDBRANCH  21  22
BRANCH  21  31
ATOM     30  C   LIG    1       -1.721  -3.369   1.171  0.00  0.00    +0.013 C 
ATOM     31  C   LIG    1       -2.101  -1.871   1.198  0.00  0.00    -0.007 C 
ATOM     32  C   LIG    1       -3.436  -1.695   0.452  0.00  0.00    +0.013 C 
ATOM     33  C   LIG    1       -2.333  -1.481   2.676  0.00  0.00    +0.013 C 
ENDBRANCH  21  31
ENDBRANCH   1  21
TORSDOF 8