REMARK  Name = BDB056612
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.650   0.252  -0.941  0.00  0.00    +0.018 A 
ATOM      2  C   LIG    1       -0.014   0.520   0.277  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1        1.221   1.182   0.310  0.00  0.00    +0.046 A 
ATOM      4  C   LIG    1        1.841   1.571  -0.877  0.00  0.00    +0.121 A 
ATOM      5  C   LIG    1        1.220   1.283  -2.094  0.00  0.00    +0.046 A 
ATOM      6  C   LIG    1       -0.012   0.624  -2.128  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  15
ATOM      7  O   LIG    1       -7.059  -0.800   1.470  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1       -6.063  -0.378   0.888  0.00  0.00    +0.246 C 
ATOM      9  C   LIG    1       -5.376  -1.218  -0.119  0.00  0.00    +0.062 A 
ATOM     10  C   LIG    1       -4.060  -1.023  -0.569  0.00  0.00    +0.081 A 
ATOM     11  C   LIG    1       -3.466  -1.871  -1.499  0.00  0.00    +0.090 A 
ATOM     12  C   LIG    1       -4.183  -2.956  -2.025  0.00  0.00    +0.030 A 
ATOM     13  C   LIG    1       -5.491  -3.177  -1.588  0.00  0.00    +0.003 A 
ATOM     14  N   LIG    1       -2.182  -1.485  -1.772  0.00  0.00    -0.228 NA
ATOM     15  C   LIG    1       -1.937  -0.443  -1.000  0.00  0.00    +0.142 A 
ATOM     16  N   LIG    1       -3.079  -0.094  -0.303  0.00  0.00    -0.322 N 
ATOM     17  C   LIG    1       -3.248   1.093   0.512  0.00  0.00    +0.142 C 
ATOM     18  C   LIG    1       -4.655   1.668   0.442  0.00  0.00    +0.126 C 
ATOM     19  C   LIG    1       -6.071  -2.325  -0.649  0.00  0.00    +0.015 A 
ATOM     20  N   LIG    1       -5.615   0.882   1.186  0.00  0.00    -0.310 N 
ATOM     21  H   LIG    1       -6.238   1.364   1.826  0.00  0.00    +0.149 HD
ENDBRANCH   1  15
BRANCH   4  22
ATOM     22  O   LIG    1        3.046   2.206  -0.993  0.00  0.00    -0.486 OA
BRANCH  22  23
ATOM     23  C   LIG    1        3.708   2.637   0.206  0.00  0.00    +0.287 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.438   1.550   0.910  0.00  0.00    +0.120 A 
ATOM     25  N   LIG    1        4.491   1.514   2.280  0.00  0.00    -0.131 NA
ATOM     26  N   LIG    1        5.175   0.436   2.640  0.00  0.00    -0.065 NA
ATOM     27  N   LIG    1        5.566  -0.189   1.517  0.00  0.00    -0.249 N 
ATOM     28  C   LIG    1        5.119   0.461   0.407  0.00  0.00    +0.137 A 
BRANCH  27  29
ATOM     29  C   LIG    1        6.279  -1.445   1.581  0.00  0.00    +0.178 C 
BRANCH  29  30
ATOM     30  C   LIG    1        7.731  -1.302   1.175  0.00  0.00    +0.236 C 
ATOM     31  F   LIG    1        8.418  -0.638   2.141  0.00  0.00    -0.247 F 
ENDBRANCH  29  30
ENDBRANCH  27  29
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   4  22
TORSDOF 6