REMARK  Name = BDB008602
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.454  -1.348  -0.445  0.00  0.00    +0.121 A 
ATOM      2  C   LIG    1        2.507  -2.217   0.642  0.00  0.00    +0.058 A 
ATOM      3  C   LIG    1        1.363  -2.929   1.043  0.00  0.00    +0.059 A 
ATOM      4  C   LIG    1        0.160  -2.751   0.341  0.00  0.00    +0.018 A 
ATOM      5  C   LIG    1        0.086  -1.890  -0.761  0.00  0.00    -0.023 A 
ATOM      6  C   LIG    1        1.248  -1.192  -1.134  0.00  0.00    +0.051 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.420  -3.838   2.246  0.00  0.00    +0.418 C 
ATOM      8  F   LIG    1        1.227  -3.170   3.416  0.00  0.00    -0.166 F 
ATOM      9  F   LIG    1        2.626  -4.465   2.374  0.00  0.00    -0.166 F 
ATOM     10  F   LIG    1        0.492  -4.834   2.220  0.00  0.00    -0.166 F 
ENDBRANCH   3   7
BRANCH   5  11
ATOM     11  C   LIG    1       -1.204  -1.653  -1.540  0.00  0.00    +0.104 C 
ATOM     12  C   LIG    1       -2.133  -2.868  -1.672  0.00  0.00    +0.033 C 
BRANCH  11  13
ATOM     13  N   LIG    1       -1.909  -0.433  -1.082  0.00  0.00    -0.289 N 
ATOM     14  C   LIG    1       -2.478  -0.407   0.200  0.00  0.00    +0.246 C 
ATOM     15  O   LIG    1       -2.592  -1.423   0.894  0.00  0.00    -0.273 OA
BRANCH  14  16
ATOM     16  C   LIG    1       -2.994   0.943   0.737  0.00  0.00    +0.217 C 
ATOM     17  O   LIG    1       -2.426   1.181   2.041  0.00  0.00    -0.365 OA
ATOM     18  C   LIG    1       -3.364   1.709   2.983  0.00  0.00    +0.176 C 
ATOM     19  C   LIG    1       -4.338   2.706   2.337  0.00  0.00    +0.109 C 
ATOM     20  N   LIG    1       -5.159   2.119   1.264  0.00  0.00    -0.311 NA
ATOM     21  H   LIG    1       -6.085   1.887   1.627  0.00  0.00    +0.122 HD
ATOM     22  C   LIG    1       -4.536   0.881   0.751  0.00  0.00    +0.122 C 
ENDBRANCH  14  16
BRANCH  13  23
ATOM     23  C   LIG    1       -1.740   0.755  -1.891  0.00  0.00    +0.077 C 
ATOM     24  C   LIG    1       -2.924   1.460  -2.509  0.00  0.00    +0.024 C 
ATOM     25  C   LIG    1       -1.945   0.753  -3.388  0.00  0.00    +0.024 C 
ENDBRANCH  13  23
ENDBRANCH  11  13
ENDBRANCH   5  11
BRANCH   1  26
ATOM     26  O   LIG    1        3.481  -0.590  -0.932  0.00  0.00    -0.492 OA
BRANCH  26  27
ATOM     27  C   LIG    1        4.772  -0.691  -0.328  0.00  0.00    +0.231 C 
BRANCH  27  28
ATOM     28  C   LIG    1        4.902   0.231   0.885  0.00  0.00    +0.069 C 
BRANCH  28  29
ATOM     29  C   LIG    1        4.733   1.702   0.517  0.00  0.00    +0.163 C 
BRANCH  29  31
ATOM     30  C   LIG    1        5.704   3.460  -0.714  0.00  0.00    +0.193 C 
ATOM     31  O   LIG    1        5.822   2.101  -0.315  0.00  0.00    -0.383 OA
ENDBRANCH  29  31
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   1  26
TORSDOF 10