REMARK  Name = BDB061196
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.299  -0.496   0.612  0.00  0.00    +0.066 A 
ATOM      2  C   LIG    1        1.614  -1.718   0.529  0.00  0.00    +0.075 A 
ATOM      3  C   LIG    1        0.218  -1.735   0.603  0.00  0.00    +0.049 A 
ATOM      4  C   LIG    1       -0.464  -3.029   0.563  0.00  0.00    +0.144 A 
ATOM      5  N   LIG    1        0.134  -4.165   0.390  0.00  0.00    -0.179 NA
ATOM      6  N   LIG    1        1.483  -4.136   0.252  0.00  0.00    -0.243 N 
ATOM      7  H   LIG    1        1.945  -5.031   0.118  0.00  0.00    +0.192 HD
ATOM      8  C   LIG    1       -0.503  -0.545   0.730  0.00  0.00    +0.129 A 
ATOM      9  N   LIG    1        0.139   0.634   0.814  0.00  0.00    -0.238 NA
ATOM     10  C   LIG    1        2.292  -3.023   0.318  0.00  0.00    +0.274 A 
ATOM     11  O   LIG    1        3.506  -3.145   0.202  0.00  0.00    -0.266 OA
ATOM     12  C   LIG    1        1.493   0.636   0.757  0.00  0.00    +0.137 A 
ENDROOT
BRANCH   1  14
ATOM     13  C   LIG    1        4.344  -0.775   1.828  0.00  0.00    +0.137 C 
ATOM     14  N   LIG    1        3.708  -0.358   0.570  0.00  0.00    -0.285 N 
BRANCH  14  15
ATOM     15  C   LIG    1        4.384   0.569  -0.176  0.00  0.00    +0.147 A 
ATOM     16  N   LIG    1        5.533   1.166   0.164  0.00  0.00    -0.156 NA
ATOM     17  N   LIG    1        5.825   1.962  -0.877  0.00  0.00    -0.273 N 
ATOM     18  C   LIG    1        7.033   2.751  -0.846  0.00  0.00    +0.172 C 
ATOM     19  C   LIG    1        4.901   1.918  -1.874  0.00  0.00    +0.110 A 
ATOM     20  C   LIG    1        3.954   1.014  -1.456  0.00  0.00    +0.065 A 
ENDBRANCH  14  15
ENDBRANCH   1  14
BRANCH   8  21
ATOM     21  N   LIG    1       -1.905  -0.551   0.786  0.00  0.00    -0.324 N 
ATOM     22  H   LIG    1       -2.289  -1.001  -0.040  0.00  0.00    +0.148 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -2.522   0.753   1.017  0.00  0.00    +0.141 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.018   0.598   0.989  0.00  0.00    +0.012 A 
ATOM     25  C   LIG    1       -4.749   0.612  -0.197  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -4.307   0.851  -1.592  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -5.577   0.428  -2.332  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -6.702   0.527  -1.431  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.130   0.465  -0.187  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -6.846   0.293   0.981  0.00  0.00    +0.049 A 
ATOM     31  C   LIG    1       -6.133   0.259   2.179  0.00  0.00    +0.042 A 
ATOM     32  C   LIG    1       -4.739   0.406   2.175  0.00  0.00    +0.129 A 
ATOM     33  F   LIG    1       -4.094   0.376   3.350  0.00  0.00    -0.205 F 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   8  21
TORSDOF 5