REMARK  Name = BDB028229
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.799  -0.699  -1.484  0.00  0.00    +0.083 A 
ATOM      2  C   LIG    1       -2.917  -0.174  -0.410  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1       -3.307   1.007   0.213  0.00  0.00    +0.050 A 
ATOM      4  C   LIG    1       -2.525   1.563   1.229  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -1.344   0.929   1.621  0.00  0.00    +0.009 A 
ATOM      6  C   LIG    1       -0.928  -0.266   1.011  0.00  0.00    -0.016 A 
ATOM      7  C   LIG    1       -4.552   1.668  -0.210  0.00  0.00    +0.272 A 
ATOM      8  O   LIG    1       -4.931   2.709   0.313  0.00  0.00    -0.266 OA
ATOM      9  N   LIG    1       -5.251   1.049  -1.217  0.00  0.00    -0.242 N 
ATOM     10  H   LIG    1       -6.113   1.491  -1.522  0.00  0.00    +0.192 HD
ATOM     11  C   LIG    1       -1.731  -0.809  -0.011  0.00  0.00    +0.019 A 
ATOM     12  N   LIG    1       -4.898  -0.102  -1.849  0.00  0.00    -0.174 NA
ENDROOT
BRANCH   6  13
ATOM     13  C   LIG    1        0.318  -0.928   1.425  0.00  0.00    +0.004 A 
ATOM     14  C   LIG    1        1.541  -0.243   1.456  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        2.707  -0.907   1.840  0.00  0.00    +0.147 A 
ATOM     16  C   LIG    1        2.611  -2.236   2.221  0.00  0.00    +0.157 A 
ATOM     17  N   LIG    1        1.457  -2.940   2.206  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1        0.347  -2.271   1.812  0.00  0.00    +0.119 A 
BRANCH  15  19
ATOM     19  O   LIG    1        3.935  -0.300   1.926  0.00  0.00    -0.454 OA
BRANCH  19  20
ATOM     20  C   LIG    1        4.305   0.521   0.886  0.00  0.00    +0.130 A 
ATOM     21  C   LIG    1        4.789   1.787   1.214  0.00  0.00    +0.066 A 
ATOM     22  C   LIG    1        5.205   2.643   0.198  0.00  0.00    +0.044 A 
ATOM     23 CL   LIG    1        5.786   4.215   0.590  0.00  0.00    -0.083 Cl
ATOM     24  C   LIG    1        5.157   2.238  -1.137  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.695   0.961  -1.458  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1        4.276   0.097  -0.446  0.00  0.00    +0.046 A 
ENDBRANCH  19  20
ENDBRANCH  15  19
ENDBRANCH   6  13
BRANCH   1  27
ATOM     27  C   LIG    1       -3.392  -1.997  -2.191  0.00  0.00    +0.136 C 
BRANCH  27  28
ATOM     28  N   LIG    1       -4.375  -2.371  -3.214  0.00  0.00    -0.325 NA
ATOM     29  H   LIG    1       -5.290  -2.426  -2.758  0.00  0.00    +0.119 HD
ATOM     30  H   LIG    1       -4.483  -1.573  -3.845  0.00  0.00    +0.119 HD
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 5