REMARK  Name = BDB061437
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.199  -1.314  -1.661  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        2.026  -0.557  -0.859  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        1.605   0.122  -0.239  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        1.592  -1.907  -2.659  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -2.977  -1.415  -0.645  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -2.018  -1.231   0.361  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.656  -1.199   0.047  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.240  -1.341  -1.282  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.192  -1.539  -2.287  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.552  -1.569  -1.972  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.451  -1.436  -0.304  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.047  -0.026  -0.167  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -7.465  -0.918  -0.005  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -6.389  -0.015   0.585  0.00  0.00    +0.011 C 
ENDBRANCH  12  14
BRANCH  12  15
ATOM     15  C   LIG    1       -5.214   0.628  -1.522  0.00  0.00    +0.308 C 
ATOM     16  O   LIG    1       -5.457   0.077  -2.583  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -5.101   1.970  -1.462  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -5.234   2.260  -2.388  0.00  0.00    +0.295 HD
ENDBRANCH  15  17
ENDBRANCH  12  15
ENDBRANCH  11  12
ENDBRANCH   5  11
ENDBRANCH   1   8
BRANCH   2  19
ATOM     19  C   LIG    1        3.417  -0.400  -1.206  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.171   0.341  -0.126  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        4.364  -0.195   1.167  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.063   0.570   2.121  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        5.577   1.833   1.817  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        5.389   2.352   0.541  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.691   1.613  -0.420  0.00  0.00    +0.009 A 
BRANCH  21  26
ATOM     26  C   LIG    1        3.813  -1.545   1.578  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1        2.466  -1.513   1.786  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.347  -2.008   2.746  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.042  -2.527   0.666  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
BRANCH  23  30
ATOM     30  O   LIG    1        6.231   2.446   2.849  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        6.804   3.720   2.582  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10