REMARK  Name = BDB061436
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.664  -1.089  -1.734  0.00  0.00    +0.244 C 
ATOM      2  N   LIG    1        1.802  -0.863  -0.985  0.00  0.00    -0.307 N 
ATOM      3  H   LIG    1        1.720  -0.963   0.020  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1        0.689  -1.363  -2.928  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1   8
ATOM      5  C   LIG    1       -3.118  -0.951   0.310  0.00  0.00    -0.047 A 
ATOM      6  C   LIG    1       -2.029  -0.222   0.809  0.00  0.00    +0.004 A 
ATOM      7  C   LIG    1       -0.793  -0.254   0.156  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -0.632  -1.024  -1.002  0.00  0.00    +0.037 A 
ATOM      9  C   LIG    1       -1.722  -1.738  -1.513  0.00  0.00    +0.013 A 
ATOM     10  C   LIG    1       -2.955  -1.704  -0.859  0.00  0.00    +0.004 A 
BRANCH   5  11
ATOM     11  C   LIG    1       -4.458  -0.899   1.009  0.00  0.00    +0.049 C 
BRANCH  11  12
ATOM     12  C   LIG    1       -5.456   0.053   0.330  0.00  0.00    +0.102 C 
BRANCH  12  14
ATOM     13  C   LIG    1       -7.929   0.661   0.187  0.00  0.00    +0.004 C 
ATOM     14  C   LIG    1       -6.854  -0.104   0.948  0.00  0.00    +0.011 C 
ENDBRANCH  12  14
BRANCH  12  15
ATOM     15  C   LIG    1       -4.984   1.480   0.496  0.00  0.00    +0.308 C 
ATOM     16  O   LIG    1       -4.612   2.010   1.531  0.00  0.00    -0.251 OA
BRANCH  15  17
ATOM     17  O   LIG    1       -5.031   2.179  -0.654  0.00  0.00    -0.480 OA
ATOM     18  H   LIG    1       -4.697   3.068  -0.411  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        3.104  -1.079  -1.568  0.00  0.00    +0.140 C 
BRANCH  19  20
ATOM     20  C   LIG    1        4.176  -0.342  -0.797  0.00  0.00    -0.018 A 
ATOM     21  C   LIG    1        4.673  -0.805   0.442  0.00  0.00    +0.063 A 
ATOM     22  C   LIG    1        5.667  -0.056   1.101  0.00  0.00    +0.058 A 
ATOM     23  C   LIG    1        6.163   1.134   0.563  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        5.659   1.593  -0.649  0.00  0.00    +0.046 A 
ATOM     25  C   LIG    1        4.673   0.863  -1.320  0.00  0.00    +0.009 A 
BRANCH  21  26
ATOM     26  C   LIG    1        4.154  -2.070   1.084  0.00  0.00    +0.418 C 
ATOM     27  F   LIG    1        2.809  -2.012   1.314  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        4.718  -2.349   2.292  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.357  -3.174   0.316  0.00  0.00    -0.166 F 
ENDBRANCH  21  26
BRANCH  23  30
ATOM     30  O   LIG    1        7.122   1.745   1.321  0.00  0.00    -0.495 OA
ATOM     31  C   LIG    1        7.673   2.954   0.811  0.00  0.00    +0.277 C 
ENDBRANCH  23  30
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 10