REMARK  Name = BDB031171
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.339  -0.826  -0.058  0.00  0.00    +0.237 C 
ATOM      2  N   LIG    1       -1.174  -0.519  -1.389  0.00  0.00    -0.287 N 
ATOM      3  C   LIG    1       -0.145  -1.179  -2.187  0.00  0.00    +0.144 C 
ATOM      4  C   LIG    1       -0.644  -1.047  -3.625  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -1.389   0.285  -3.620  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -2.031   0.305  -2.231  0.00  0.00    +0.140 C 
ATOM      7  O   LIG    1       -0.601  -1.649   0.494  0.00  0.00    -0.274 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.164  -0.480  -1.957  0.00  0.00    +0.128 A 
ATOM      9  N   LIG    1        1.975  -0.798  -0.892  0.00  0.00    -0.340 N 
ATOM     10  H   LIG    1        1.743  -1.478  -0.175  0.00  0.00    +0.167 HD
ATOM     11  C   LIG    1        3.110  -0.021  -0.964  0.00  0.00    +0.067 A 
ATOM     12  C   LIG    1        2.898   0.767  -2.080  0.00  0.00    +0.139 A 
ATOM     13  N   LIG    1        1.696   0.489  -2.675  0.00  0.00    -0.238 NA
BRANCH  11  14
ATOM     14  C   LIG    1        4.261  -0.114  -0.067  0.00  0.00    +0.011 A 
ATOM     15  C   LIG    1        4.165  -0.073   1.338  0.00  0.00    +0.064 A 
ATOM     16  C   LIG    1        5.343  -0.170   2.110  0.00  0.00    +0.013 A 
ATOM     17  C   LIG    1        6.593  -0.295   1.506  0.00  0.00    +0.001 A 
ATOM     18  C   LIG    1        6.689  -0.326   0.122  0.00  0.00    +0.001 A 
ATOM     19  C   LIG    1        5.534  -0.235  -0.656  0.00  0.00    +0.010 A 
BRANCH  15  20
ATOM     20  C   LIG    1        2.843   0.068   2.049  0.00  0.00    +0.418 C 
ATOM     21  F   LIG    1        2.109   1.135   1.630  0.00  0.00    -0.166 F 
ATOM     22  F   LIG    1        2.962   0.220   3.399  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1        2.055  -1.030   1.877  0.00  0.00    -0.166 F 
ENDBRANCH  15  20
ENDBRANCH  11  14
ENDBRANCH   3   8
BRANCH   5  24
ATOM     24  O   LIG    1       -2.361   0.307  -4.654  0.00  0.00    -0.390 OA
ATOM     25  H   LIG    1       -2.602   1.237  -4.807  0.00  0.00    +0.210 HD
ENDBRANCH   5  24
BRANCH   1  26
ATOM     26  C   LIG    1       -2.473  -0.115   0.729  0.00  0.00    +0.164 C 
BRANCH  26  29
ATOM     27  C   LIG    1       -5.288  -1.053   0.233  0.00  0.00    +0.109 C 
ATOM     28  C   LIG    1       -4.349  -1.775   1.159  0.00  0.00    +0.211 C 
ATOM     29  N   LIG    1       -3.163  -1.179   1.471  0.00  0.00    -0.304 N 
ATOM     30  H   LIG    1       -2.563  -1.794   2.014  0.00  0.00    +0.149 HD
ATOM     31  O   LIG    1       -4.633  -2.866   1.647  0.00  0.00    -0.276 OA
ENDBRANCH  26  29
BRANCH  26  32
ATOM     32  C   LIG    1       -1.958   1.012   1.680  0.00  0.00    -0.011 C 
ATOM     33  C   LIG    1       -3.171   1.728   2.314  0.00  0.00    +0.013 C 
ATOM     34  C   LIG    1       -1.073   0.475   2.821  0.00  0.00    +0.013 C 
ATOM     35  C   LIG    1       -1.152   2.066   0.896  0.00  0.00    +0.013 C 
ENDBRANCH  26  32
ENDBRANCH   1  26
TORSDOF 7