REMARK  Name = BDB032329
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.906  -0.429   0.912  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1        1.361  -1.663   0.877  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1        0.033  -1.794   1.109  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1       -0.820  -0.736   1.384  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1       -0.249   0.534   1.431  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1        1.118   0.686   1.198  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1  14
ATOM      7  C   LIG    1        5.425   1.439  -1.938  0.00  0.00    +0.032 C 
ATOM      8  C   LIG    1        5.111   0.908  -0.536  0.00  0.00    +0.105 C 
ATOM      9  N   LIG    1        5.958  -0.213  -0.139  0.00  0.00    -0.302 N 
ATOM     10  C   LIG    1        5.471  -1.368   0.424  0.00  0.00    +0.151 A 
ATOM     11  N   LIG    1        6.466  -2.191   0.661  0.00  0.00    -0.132 NA
ATOM     12  N   LIG    1        7.629  -1.537   0.344  0.00  0.00    -0.125 NA
ATOM     13  C   LIG    1        4.017  -1.555   0.704  0.00  0.00    +0.182 C 
ATOM     14  N   LIG    1        3.287  -0.268   0.695  0.00  0.00    -0.306 N 
ATOM     15  C   LIG    1        7.327  -0.320  -0.077  0.00  0.00    +0.238 A 
ATOM     16  C   LIG    1        3.600   0.537  -0.496  0.00  0.00    +0.132 C 
BRANCH  15  17
ATOM     17  C   LIG    1        8.286   0.761  -0.412  0.00  0.00    +0.452 C 
ATOM     18  F   LIG    1        8.499   0.849  -1.751  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1        7.829   1.981  -0.015  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1        9.501   0.600   0.170  0.00  0.00    -0.163 F 
ENDBRANCH  15  17
ENDBRANCH   1  14
BRANCH   4  21
ATOM     21  C   LIG    1       -2.284  -0.955   1.646  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -3.068  -0.235   0.649  0.00  0.00    -0.339 N 
ATOM     23  H   LIG    1       -2.701  -0.385  -0.288  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -4.476  -0.314   0.649  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1       -5.216   0.267  -0.431  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1       -6.632   0.198  -0.435  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1       -7.324   0.748  -1.538  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1       -6.724   1.368  -2.569  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1       -5.384   1.457  -2.529  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1       -7.291  -0.393   0.660  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1       -6.577  -0.902   1.738  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1       -4.605   0.933  -1.512  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1       -5.186  -0.851   1.734  0.00  0.00    +0.023 A 
BRANCH  27  34
ATOM     34  N   LIG    1       -8.719   0.693  -1.637  0.00  0.00    -0.343 N 
ATOM     35  H   LIG    1       -8.951   1.125  -2.529  0.00  0.00    +0.144 HD
ATOM     36  H   LIG    1       -9.040  -0.268  -1.600  0.00  0.00    +0.144 HD
ENDBRANCH  27  34
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6