REMARK  Name = BDB023727
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.097  -1.018   0.218  0.00  0.00    +0.227 C 
ATOM      2  N   LIG    1       -0.848  -0.712   1.561  0.00  0.00    -0.288 N 
ATOM      3  C   LIG    1        0.473  -0.270   2.027  0.00  0.00    +0.145 C 
ATOM      4  C   LIG    1        1.082  -1.527   2.628  0.00  0.00    +0.063 C 
ATOM      5  C   LIG    1       -0.115  -2.091   3.393  0.00  0.00    +0.134 C 
ATOM      6  C   LIG    1       -1.341  -1.687   2.543  0.00  0.00    +0.139 C 
ATOM      7  O   LIG    1       -0.188  -1.182  -0.597  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   3   8
ATOM      8  C   LIG    1        1.372   0.509   1.074  0.00  0.00    +0.158 C 
ATOM      9  N   LIG    1        2.023  -0.073   0.019  0.00  0.00    -0.278 N 
ATOM     10  H   LIG    1        1.422  -0.737  -0.481  0.00  0.00    +0.152 HD
ATOM     11  C   LIG    1        2.497   1.043  -0.806  0.00  0.00    +0.325 C 
ATOM     12  O   LIG    1        2.350   2.192   0.072  0.00  0.00    -0.352 OA
ATOM     13  N   LIG    1        1.538   1.800   1.185  0.00  0.00    -0.069 NA
BRANCH  11  14
ATOM     14  C   LIG    1        3.971   0.806  -1.147  0.00  0.00    +0.026 A 
ATOM     15  C   LIG    1        4.368  -0.375  -1.806  0.00  0.00    +0.011 A 
ATOM     16  C   LIG    1        5.708  -0.600  -2.135  0.00  0.00    +0.016 A 
ATOM     17  C   LIG    1        6.669   0.351  -1.808  0.00  0.00    +0.018 A 
ATOM     18 BR   LIG    1        8.481   0.046  -2.251  0.00  0.00    -0.050 Br
ATOM     19  C   LIG    1        6.304   1.525  -1.156  0.00  0.00    +0.016 A 
ATOM     20  C   LIG    1        4.964   1.751  -0.828  0.00  0.00    +0.011 A 
ENDBRANCH  11  14
BRANCH  11  21
ATOM     21  C   LIG    1        1.634   1.305  -2.082  0.00  0.00    +0.455 C 
ATOM     22  F   LIG    1        0.343   1.598  -1.779  0.00  0.00    -0.165 F 
ATOM     23  F   LIG    1        2.108   2.337  -2.823  0.00  0.00    -0.165 F 
ATOM     24  F   LIG    1        1.600   0.216  -2.895  0.00  0.00    -0.165 F 
ENDBRANCH  11  21
ENDBRANCH   3   8
BRANCH   5  25
ATOM     25  O   LIG    1       -0.194  -1.481   4.679  0.00  0.00    -0.390 OA
ATOM     26  H   LIG    1        0.591  -1.749   5.188  0.00  0.00    +0.210 HD
ENDBRANCH   5  25
BRANCH   1  27
ATOM     27  C   LIG    1       -2.589  -1.120  -0.174  0.00  0.00    +0.146 C 
BRANCH  27  32
ATOM     28  C   LIG    1       -4.226   3.674   0.588  0.00  0.00    +0.069 C 
ATOM     29  C   LIG    1       -4.035   2.211   0.481  0.00  0.00    +0.081 A 
ATOM     30  N   LIG    1       -5.001   1.373   0.874  0.00  0.00    -0.083 NA
ATOM     31  O   LIG    1       -4.510   0.101   0.651  0.00  0.00    -0.359 OA
ATOM     32  C   LIG    1       -3.259   0.182   0.119  0.00  0.00    +0.150 A 
ATOM     33  C   LIG    1       -2.913   1.507  -0.009  0.00  0.00    +0.071 A 
ENDBRANCH  27  32
BRANCH  27  34
ATOM     34  C   LIG    1       -2.789  -1.600  -1.637  0.00  0.00    +0.002 C 
ATOM     35  C   LIG    1       -2.441  -0.561  -2.709  0.00  0.00    +0.008 C 
ATOM     36  C   LIG    1       -4.221  -2.103  -1.865  0.00  0.00    +0.008 C 
ENDBRANCH  27  34
ENDBRANCH   1  27
TORSDOF 7