REMARK  Name = BDB048864
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.814   0.668   0.479  0.00  0.00    -0.007 C 
ATOM      2  C   LIG    1        1.791   2.135   0.779  0.00  0.00    +0.040 C 
ATOM      3  C   LIG    1        0.300   2.401   0.988  0.00  0.00    +0.028 C 
ATOM      4  C   LIG    1       -0.294   1.052   1.438  0.00  0.00    +0.081 C 
ATOM      5  C   LIG    1        0.672   0.068   0.845  0.00  0.00    -0.001 C 
ENDROOT
BRANCH   1  13
ATOM      6  C   LIG    1        6.730   1.906   0.151  0.00  0.00    +0.046 C 
ATOM      7  C   LIG    1        6.557   0.580  -0.535  0.00  0.00    -0.024 A 
ATOM      8  C   LIG    1        5.289  -0.026  -0.608  0.00  0.00    +0.081 A 
ATOM      9  C   LIG    1        5.172  -1.261  -1.255  0.00  0.00    +0.065 A 
ATOM     10  C   LIG    1        3.834  -1.871  -1.320  0.00  0.00    +0.259 A 
ATOM     11  N   LIG    1        2.829  -1.165  -0.713  0.00  0.00    -0.307 N 
ATOM     12  H   LIG    1        1.911  -1.576  -0.784  0.00  0.00    +0.170 HD
ATOM     13  C   LIG    1        3.023   0.040  -0.095  0.00  0.00    +0.137 A 
ATOM     14  O   LIG    1        3.627  -2.940  -1.882  0.00  0.00    -0.267 OA
ATOM     15  C   LIG    1        6.276  -1.900  -1.827  0.00  0.00    +0.015 A 
ATOM     16  C   LIG    1        7.527  -1.295  -1.751  0.00  0.00    +0.001 A 
ATOM     17  N   LIG    1        4.177   0.619  -0.033  0.00  0.00    -0.229 NA
ATOM     18  C   LIG    1        7.667  -0.063  -1.109  0.00  0.00    +0.005 A 
ENDBRANCH   1  13
BRANCH   4  19
ATOM     19  N   LIG    1       -1.711   0.878   1.118  0.00  0.00    -0.292 NA
ATOM     20  C   LIG    1       -2.302  -0.273   1.815  0.00  0.00    +0.090 C 
ATOM     21  C   LIG    1       -3.837  -0.249   1.711  0.00  0.00    +0.051 C 
ATOM     22  C   LIG    1       -4.310  -0.024   0.296  0.00  0.00    -0.042 C 
ATOM     23  C   LIG    1       -3.458   0.475  -0.619  0.00  0.00    -0.008 C 
ATOM     24  C   LIG    1       -2.029   0.843  -0.317  0.00  0.00    +0.112 C 
BRANCH  22  25
ATOM     25  C   LIG    1       -5.710  -0.352  -0.039  0.00  0.00    -0.022 A 
ATOM     26  C   LIG    1       -6.754  -0.006   0.835  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1       -8.079  -0.329   0.528  0.00  0.00    +0.039 A 
ATOM     28  C   LIG    1       -8.364  -1.005  -0.650  0.00  0.00    +0.123 A 
ATOM     29  F   LIG    1       -9.634  -1.315  -0.943  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -7.351  -1.365  -1.529  0.00  0.00    +0.039 A 
ATOM     31  C   LIG    1       -6.027  -1.041  -1.222  0.00  0.00    +0.011 A 
ENDBRANCH  22  25
ENDBRANCH   4  19
TORSDOF 3