REMARK  Name = BDB028728
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.134  -0.563   0.350  0.00  0.00    -0.304 N 
ATOM      2  C   LIG    1        1.272  -0.023  -0.458  0.00  0.00    +0.119 C 
ATOM      3  C   LIG    1        2.576  -0.013   0.411  0.00  0.00    +0.112 C 
ATOM      4  N   LIG    1        2.917  -1.339   0.985  0.00  0.00    -0.289 NA
ATOM      5  C   LIG    1        1.752  -1.843   1.747  0.00  0.00    +0.104 C 
ATOM      6  C   LIG    1        0.475  -1.911   0.878  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   2   7
ATOM      7  C   LIG    1        0.970   1.395  -0.946  0.00  0.00    -0.026 A 
ATOM      8  C   LIG    1        0.643   2.429  -0.051  0.00  0.00    +0.007 A 
ATOM      9  C   LIG    1        0.363   3.714  -0.520  0.00  0.00    +0.020 A 
ATOM     10  C   LIG    1        0.404   3.976  -1.888  0.00  0.00    +0.041 A 
ATOM     11 CL   LIG    1        0.059   5.559  -2.465  0.00  0.00    -0.084 Cl
ATOM     12  C   LIG    1        0.720   2.963  -2.790  0.00  0.00    +0.020 A 
ATOM     13  C   LIG    1        1.000   1.678  -2.321  0.00  0.00    +0.007 A 
ENDBRANCH   2   7
BRANCH   1  15
ATOM     14  C   LIG    1       -2.260  -0.257   0.017  0.00  0.00    +0.074 A 
ATOM     15  C   LIG    1       -1.026  -0.735  -0.482  0.00  0.00    +0.143 A 
ATOM     16  N   LIG    1       -0.920  -1.354  -1.679  0.00  0.00    -0.238 NA
ATOM     17  C   LIG    1       -2.050  -1.496  -2.410  0.00  0.00    +0.125 A 
ATOM     18  C   LIG    1       -3.300  -1.049  -2.010  0.00  0.00    +0.075 A 
ATOM     19  C   LIG    1       -3.401  -0.425  -0.761  0.00  0.00    +0.040 A 
BRANCH  14  22
ATOM     20  C   LIG    1       -2.863   1.548   3.279  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1       -3.291   0.917   1.978  0.00  0.00    +0.214 C 
ATOM     22  N   LIG    1       -2.239   0.373   1.280  0.00  0.00    -0.283 N 
ATOM     23  H   LIG    1       -1.300   0.426   1.668  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1       -4.465   0.939   1.627  0.00  0.00    -0.276 OA
ENDBRANCH  14  22
BRANCH  18  25
ATOM     25  C   LIG    1       -4.496  -1.274  -2.881  0.00  0.00    +0.419 C 
ATOM     26  F   LIG    1       -5.426  -0.285  -2.789  0.00  0.00    -0.166 F 
ATOM     27  F   LIG    1       -5.146  -2.431  -2.578  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1       -4.181  -1.362  -4.204  0.00  0.00    -0.166 F 
ENDBRANCH  18  25
ENDBRANCH   1  15
BRANCH   4  29
ATOM     29  C   LIG    1        4.126  -1.234   1.832  0.00  0.00    +0.205 C 
BRANCH  29  30
ATOM     30  C   LIG    1        4.701  -2.595   2.216  0.00  0.00    +0.319 C 
ATOM     31  O   LIG    1        4.310  -3.708   1.907  0.00  0.00    -0.250 OA
BRANCH  30  32
ATOM     32  O   LIG    1        5.789  -2.466   3.010  0.00  0.00    -0.480 OA
ATOM     33  H   LIG    1        6.068  -3.394   3.166  0.00  0.00    +0.295 HD
ENDBRANCH  30  32
ENDBRANCH  29  30
ENDBRANCH   4  29
TORSDOF 7