REMARK  Name = BDB061195
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.739   0.157   0.066  0.00  0.00    +0.068 A 
ATOM      2  C   LIG    1        2.098  -0.708  -0.829  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        0.730  -0.947  -0.703  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1        0.072  -1.734  -1.746  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        0.694  -2.320  -2.721  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1        2.049  -2.199  -2.750  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1        2.538  -2.753  -3.446  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1        0.022  -0.423   0.379  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        0.649   0.338   1.300  0.00  0.00    -0.238 NA
ATOM     10  C   LIG    1        2.823  -1.531  -1.827  0.00  0.00    +0.274 A 
ATOM     11  O   LIG    1        4.040  -1.690  -1.794  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        1.967   0.611   1.128  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   1  15
ATOM     13  O   LIG    1        3.970   1.184  -2.380  0.00  0.00    -0.275 OA
ATOM     14  C   LIG    1        4.569   1.082  -1.319  0.00  0.00    +0.220 C 
ATOM     15  N   LIG    1        4.067   0.614  -0.095  0.00  0.00    -0.269 N 
ATOM     16  C   LIG    1        4.922   1.019   0.987  0.00  0.00    +0.114 C 
ATOM     17  C   LIG    1        6.286   1.096   0.330  0.00  0.00    +0.029 C 
ATOM     18  C   LIG    1        5.970   1.592  -1.075  0.00  0.00    +0.098 C 
ENDBRANCH   1  15
BRANCH   8  19
ATOM     19  N   LIG    1       -1.353  -0.664   0.527  0.00  0.00    -0.324 N 
ATOM     20  H   LIG    1       -1.529  -1.667   0.538  0.00  0.00    +0.148 HD
BRANCH  19  21
ATOM     21  C   LIG    1       -1.971  -0.032   1.691  0.00  0.00    +0.141 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.449  -0.309   1.671  0.00  0.00    +0.012 A 
ATOM     23  C   LIG    1       -4.291   0.214   0.692  0.00  0.00    +0.005 A 
ATOM     24  C   LIG    1       -3.972   1.037  -0.499  0.00  0.00    +0.080 C 
ATOM     25  C   LIG    1       -5.388   1.457  -0.894  0.00  0.00    +0.234 C 
ATOM     26  O   LIG    1       -6.332   0.505  -0.352  0.00  0.00    -0.491 OA
ATOM     27  C   LIG    1       -5.651  -0.072   0.687  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.236  -0.882   1.639  0.00  0.00    +0.049 A 
ATOM     29  C   LIG    1       -5.416  -1.410   2.635  0.00  0.00    +0.042 A 
ATOM     30  C   LIG    1       -4.043  -1.122   2.644  0.00  0.00    +0.129 A 
ATOM     31  F   LIG    1       -3.288  -1.660   3.613  0.00  0.00    -0.205 F 
ENDBRANCH  21  22
ENDBRANCH  19  21
ENDBRANCH   8  19
TORSDOF 4