REMARK  Name = BDB032327
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.074  -0.726  -0.138  0.00  0.00    +0.122 A 
ATOM      2  N   LIG    1       -1.748   0.480  -0.649  0.00  0.00    -0.240 NA
ATOM      3  C   LIG    1       -0.567   1.040  -0.289  0.00  0.00    +0.118 A 
ATOM      4  C   LIG    1        0.350   0.450   0.566  0.00  0.00    -0.012 A 
ATOM      5  C   LIG    1        0.016  -0.803   1.075  0.00  0.00    +0.010 A 
ATOM      6  C   LIG    1       -1.195  -1.394   0.716  0.00  0.00    +0.044 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -4.694  -3.122   0.376  0.00  0.00    +0.036 C 
ATOM      8  C   LIG    1       -4.175  -1.702   0.625  0.00  0.00    +0.140 C 
ATOM      9  N   LIG    1       -3.285  -1.327  -0.510  0.00  0.00    -0.304 N 
ATOM     10  C   LIG    1       -3.977  -0.673  -1.641  0.00  0.00    +0.129 C 
ATOM     11  C   LIG    1       -4.778   0.560  -1.206  0.00  0.00    +0.144 C 
ATOM     12  N   LIG    1       -5.581   0.270  -0.036  0.00  0.00    -0.305 N 
ATOM     13  C   LIG    1       -6.675   0.933   0.449  0.00  0.00    +0.238 A 
ATOM     14  N   LIG    1       -7.077   0.314   1.546  0.00  0.00    -0.125 NA
ATOM     15  N   LIG    1       -6.229  -0.743   1.785  0.00  0.00    -0.132 NA
ATOM     16  C   LIG    1       -5.326  -0.759   0.829  0.00  0.00    +0.154 A 
BRANCH  13  17
ATOM     17  C   LIG    1       -7.255   2.131  -0.201  0.00  0.00    +0.452 C 
ATOM     18  F   LIG    1       -8.255   2.707   0.511  0.00  0.00    -0.163 F 
ATOM     19  F   LIG    1       -7.764   1.831  -1.427  0.00  0.00    -0.163 F 
ATOM     20  F   LIG    1       -6.314   3.091  -0.410  0.00  0.00    -0.163 F 
ENDBRANCH  13  17
ENDBRANCH   1   9
BRANCH   4  21
ATOM     21  C   LIG    1        1.642   1.131   0.926  0.00  0.00    +0.138 C 
BRANCH  21  22
ATOM     22  N   LIG    1        2.762   0.313   0.480  0.00  0.00    -0.339 N 
ATOM     23  H   LIG    1        2.614  -0.041  -0.462  0.00  0.00    +0.146 HD
BRANCH  22  24
ATOM     24  C   LIG    1        4.089   0.760   0.642  0.00  0.00    +0.035 A 
ATOM     25  C   LIG    1        5.163   0.021   0.049  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        6.500   0.462   0.213  0.00  0.00    +0.023 A 
ATOM     27  C   LIG    1        7.528  -0.272  -0.420  0.00  0.00    +0.124 A 
ATOM     28  N   LIG    1        7.322  -1.388  -1.140  0.00  0.00    -0.240 NA
ATOM     29  C   LIG    1        6.052  -1.812  -1.253  0.00  0.00    +0.113 A 
ATOM     30  C   LIG    1        6.754   1.594   1.012  0.00  0.00    +0.012 A 
ATOM     31  C   LIG    1        5.718   2.276   1.640  0.00  0.00    +0.003 A 
ATOM     32  C   LIG    1        4.966  -1.158  -0.697  0.00  0.00    +0.030 A 
ATOM     33  C   LIG    1        4.403   1.854   1.464  0.00  0.00    +0.023 A 
BRANCH  27  34
ATOM     34  N   LIG    1        8.872   0.114  -0.338  0.00  0.00    -0.343 N 
ATOM     35  H   LIG    1        9.388  -0.558  -0.901  0.00  0.00    +0.144 HD
ATOM     36  H   LIG    1        8.991   1.057  -0.688  0.00  0.00    +0.144 HD
ENDBRANCH  27  34
ENDBRANCH  22  24
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 6