REMARK  Name = BDB003862
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.019  -1.037   0.160  0.00  0.00    +0.157 A 
ATOM      2  C   LIG    1       -0.370  -0.840   0.209  0.00  0.00    +0.177 A 
ATOM      3  F   LIG    1       -0.988  -0.371  -0.889  0.00  0.00    -0.201 F 
ATOM      4  C   LIG    1       -1.105  -1.124   1.362  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -0.429  -1.611   2.489  0.00  0.00    +0.016 A 
ATOM      6  C   LIG    1        0.952  -1.808   2.453  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1        1.675  -1.522   1.292  0.00  0.00    +0.048 A 
ENDROOT
BRANCH   4   8
ATOM      8  C   LIG    1       -2.579  -0.929   1.456  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1       -3.244  -0.499   0.334  0.00  0.00    -0.300 N 
ATOM     10  H   LIG    1       -2.741  -0.370  -0.544  0.00  0.00    +0.150 HD
ATOM     11  O   LIG    1       -3.162  -1.158   2.512  0.00  0.00    -0.270 OA
BRANCH   9  12
ATOM     12  C   LIG    1       -4.691  -0.303   0.309  0.00  0.00    +0.160 C 
ATOM     13  C   LIG    1       -5.166  -0.462  -1.144  0.00  0.00    +0.240 C 
ATOM     14  O   LIG    1       -4.395  -0.577  -2.096  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -6.521  -0.570  -1.321  0.00  0.00    -0.255 N 
ATOM     16  H   LIG    1       -6.701  -1.037  -2.205  0.00  0.00    +0.158 HD
ATOM     17  C   LIG    1       -7.319   0.538  -1.370  0.00  0.00    +0.219 C 
ATOM     18  O   LIG    1       -8.149   0.629  -2.276  0.00  0.00    -0.275 OA
ATOM     19  C   LIG    1       -7.105   1.678  -0.403  0.00  0.00    +0.096 C 
ATOM     20  C   LIG    1       -6.560   1.297   0.963  0.00  0.00    +0.011 C 
ATOM     21  C   LIG    1       -5.057   1.042   0.926  0.00  0.00    +0.032 C 
ENDBRANCH   9  12
ENDBRANCH   4   8
BRANCH   1  22
ATOM     22  O   LIG    1        1.610  -0.714  -1.032  0.00  0.00    -0.478 OA
BRANCH  22  23
ATOM     23  C   LIG    1        2.996  -0.966  -1.202  0.00  0.00    +0.349 C 
BRANCH  23  24
ATOM     24  C   LIG    1        3.937   0.054  -0.565  0.00  0.00    +0.346 C 
ATOM     25  O   LIG    1        3.592   1.030   0.083  0.00  0.00    -0.247 OA
BRANCH  24  26
ATOM     26  O   LIG    1        5.226  -0.312  -0.824  0.00  0.00    -0.457 OA
BRANCH  26  28
ATOM     27  C   LIG    1        6.322   1.893  -0.928  0.00  0.00    +0.055 C 
ATOM     28  C   LIG    1        6.336   0.481  -0.330  0.00  0.00    +0.105 C 
ATOM     29  C   LIG    1        7.591  -0.251  -0.830  0.00  0.00    +0.055 C 
ATOM     30  C   LIG    1        6.363   0.507   1.202  0.00  0.00    +0.055 C 
ENDBRANCH  26  28
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH   1  22
TORSDOF 7