REMARK  Name = BDB060626
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.852  -0.623  -0.054  0.00  0.00    +0.131 A 
ATOM      2  C   LIG    1       -1.522   0.522   0.289  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1       -2.959   0.912   0.210  0.00  0.00    +0.066 C 
ATOM      4  C   LIG    1       -2.837   2.445   0.339  0.00  0.00    +0.105 C 
ATOM      5  N   LIG    1       -1.613   2.676   1.137  0.00  0.00    -0.307 N 
ATOM      6  C   LIG    1       -1.030   4.017   1.086  0.00  0.00    +0.135 C 
ATOM      7  C   LIG    1       -0.998   4.559  -0.349  0.00  0.00    +0.179 C 
ATOM      8  O   LIG    1       -2.303   4.491  -0.955  0.00  0.00    -0.376 OA
ATOM      9  C   LIG    1       -2.731   3.124  -1.052  0.00  0.00    +0.182 C 
ATOM     10  C   LIG    1       -0.785   1.581   0.795  0.00  0.00    +0.131 A 
ATOM     11  N   LIG    1        0.536   1.566   0.932  0.00  0.00    -0.212 NA
ATOM     12  C   LIG    1        1.130   0.422   0.557  0.00  0.00    +0.165 A 
ATOM     13  N   LIG    1        0.488  -0.658   0.059  0.00  0.00    -0.212 NA
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1       -2.432  -2.591   1.563  0.00  0.00    +0.030 C 
ATOM     15  C   LIG    1       -2.648  -2.335   0.071  0.00  0.00    +0.097 C 
ATOM     16  N   LIG    1       -1.435  -1.772  -0.569  0.00  0.00    -0.308 N 
ATOM     17  C   LIG    1       -1.526  -1.699  -2.042  0.00  0.00    +0.135 C 
ATOM     18  C   LIG    1       -1.934  -3.061  -2.615  0.00  0.00    +0.179 C 
ATOM     19  O   LIG    1       -3.167  -3.515  -2.036  0.00  0.00    -0.376 OA
ATOM     20  C   LIG    1       -3.005  -3.677  -0.617  0.00  0.00    +0.182 C 
ENDBRANCH   1  16
BRANCH  12  21
ATOM     21  C   LIG    1        2.591   0.337   0.682  0.00  0.00    +0.038 A 
ATOM     22  C   LIG    1        3.320  -0.803   0.315  0.00  0.00    +0.029 A 
ATOM     23  C   LIG    1        4.722  -0.851   0.444  0.00  0.00    +0.095 A 
ATOM     24  C   LIG    1        5.376   0.266   0.948  0.00  0.00    +0.128 A 
ATOM     25  N   LIG    1        4.705   1.373   1.310  0.00  0.00    -0.239 NA
ATOM     26  C   LIG    1        3.353   1.387   1.176  0.00  0.00    +0.124 A 
BRANCH  23  27
ATOM     27  C   LIG    1        5.483  -2.075   0.050  0.00  0.00    +0.421 C 
ATOM     28  F   LIG    1        4.706  -3.076  -0.450  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        6.419  -1.823  -0.911  0.00  0.00    -0.166 F 
ATOM     30  F   LIG    1        6.168  -2.626   1.092  0.00  0.00    -0.166 F 
ENDBRANCH  23  27
BRANCH  24  31
ATOM     31  N   LIG    1        6.758   0.318   1.119  0.00  0.00    -0.343 N 
ATOM     32  H   LIG    1        7.076  -0.388   1.778  0.00  0.00    +0.144 HD
ATOM     33  H   LIG    1        7.248   0.186   0.238  0.00  0.00    +0.144 HD
ENDBRANCH  24  31
ENDBRANCH  12  21
TORSDOF 4