REMARK  Name = BDB033075
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.181   1.666  -1.462  0.00  0.00    +0.099 C 
ATOM      2  C   LIG    1       -1.418   0.800  -1.220  0.00  0.00    +0.130 C 
ATOM      3  N   LIG    1       -2.513   1.726  -1.383  0.00  0.00    -0.295 N 
ATOM      4  C   LIG    1       -2.108   3.040  -1.224  0.00  0.00    +0.218 C 
ATOM      5  O   LIG    1       -2.826   4.026  -1.203  0.00  0.00    -0.276 OA
ATOM      6  C   LIG    1       -0.616   3.055  -1.003  0.00  0.00    +0.119 C 
ENDROOT
BRANCH   1   9
ATOM      7  O   LIG    1        1.327  -0.576  -2.182  0.00  0.00    -0.270 OA
ATOM      8  C   LIG    1        1.664   0.053  -1.183  0.00  0.00    +0.248 C 
ATOM      9  N   LIG    1        1.009   1.194  -0.783  0.00  0.00    -0.306 N 
ATOM     10  H   LIG    1        1.272   1.583   0.121  0.00  0.00    +0.149 HD
BRANCH   8  11
ATOM     11  C   LIG    1        2.812  -0.410  -0.340  0.00  0.00    +0.079 A 
ATOM     12  C   LIG    1        3.188   0.170   0.880  0.00  0.00    +0.130 A 
ATOM     13  C   LIG    1        4.279  -0.331   1.600  0.00  0.00    +0.054 A 
ATOM     14  C   LIG    1        5.016  -1.423   1.117  0.00  0.00    -0.014 A 
ATOM     15  C   LIG    1        4.646  -2.019  -0.109  0.00  0.00    -0.017 A 
ATOM     16  C   LIG    1        5.382  -3.113  -0.592  0.00  0.00    +0.008 A 
ATOM     17  C   LIG    1        6.470  -3.613   0.125  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.835  -3.027   1.333  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        6.114  -1.939   1.827  0.00  0.00    +0.008 A 
ATOM     20  C   LIG    1        3.550  -1.506  -0.820  0.00  0.00    +0.025 A 
BRANCH  12  21
ATOM     21  O   LIG    1        2.493   1.234   1.400  0.00  0.00    -0.506 OA
ATOM     22  H   LIG    1        2.901   1.492   2.245  0.00  0.00    +0.292 HD
ENDBRANCH  12  21
ENDBRANCH   8  11
ENDBRANCH   1   9
BRANCH   3  23
ATOM     23  C   LIG    1       -3.901   1.304  -1.405  0.00  0.00    +0.143 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.405   0.899  -0.032  0.00  0.00    -0.018 A 
ATOM     25  C   LIG    1       -4.654  -0.446   0.330  0.00  0.00    +0.059 A 
ATOM     26  C   LIG    1       -5.107  -0.730   1.634  0.00  0.00    +0.013 A 
ATOM     27  C   LIG    1       -5.314   0.288   2.563  0.00  0.00    +0.001 A 
ATOM     28  C   LIG    1       -5.074   1.609   2.206  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -4.625   1.912   0.922  0.00  0.00    +0.006 A 
BRANCH  25  30
ATOM     30  C   LIG    1       -4.461  -1.588  -0.643  0.00  0.00    +0.418 C 
ATOM     31  F   LIG    1       -5.256  -1.475  -1.744  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1       -4.740  -2.812  -0.113  0.00  0.00    -0.166 F 
ATOM     33  F   LIG    1       -3.184  -1.673  -1.106  0.00  0.00    -0.166 F 
ENDBRANCH  25  30
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 6