REMARK  Name = BDB028247
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.537  -0.574  -0.508  0.00  0.00    -0.016 A 
ATOM      2  C   LIG    1        2.663   0.184  -0.134  0.00  0.00    +0.019 A 
ATOM      3  C   LIG    1        3.929  -0.411  -0.020  0.00  0.00    +0.012 A 
ATOM      4  C   LIG    1        4.074  -1.769  -0.282  0.00  0.00    +0.050 A 
ATOM      5  C   LIG    1        5.404  -2.388  -0.162  0.00  0.00    +0.272 A 
ATOM      6  N   LIG    1        6.427  -1.552   0.211  0.00  0.00    -0.242 N 
ATOM      7  H   LIG    1        7.352  -1.960   0.300  0.00  0.00    +0.192 HD
ATOM      8  N   LIG    1        6.319  -0.222   0.477  0.00  0.00    -0.174 NA
ATOM      9  O   LIG    1        5.575  -3.581  -0.385  0.00  0.00    -0.266 OA
ATOM     10  C   LIG    1        2.970  -2.541  -0.655  0.00  0.00    +0.014 A 
ATOM     11  C   LIG    1        5.148   0.340   0.375  0.00  0.00    +0.083 A 
ATOM     12  C   LIG    1        1.712  -1.944  -0.765  0.00  0.00    +0.009 A 
ENDROOT
BRANCH   1  15
ATOM     13  C   LIG    1       -2.154   0.146  -0.076  0.00  0.00    +0.147 A 
ATOM     14  C   LIG    1       -0.906  -0.463   0.054  0.00  0.00    +0.057 A 
ATOM     15  C   LIG    1        0.210   0.049  -0.623  0.00  0.00    +0.004 A 
ATOM     16  C   LIG    1       -0.009   1.182  -1.409  0.00  0.00    +0.119 A 
ATOM     17  N   LIG    1       -1.200   1.812  -1.543  0.00  0.00    -0.259 NA
ATOM     18  C   LIG    1       -2.246   1.283  -0.867  0.00  0.00    +0.157 A 
BRANCH  13  19
ATOM     19  O   LIG    1       -3.186  -0.404   0.646  0.00  0.00    -0.454 OA
BRANCH  19  22
ATOM     20  C   LIG    1       -5.048   1.117   2.199  0.00  0.00    +0.049 C 
ATOM     21  C   LIG    1       -5.410   0.469   0.891  0.00  0.00    +0.010 A 
ATOM     22  C   LIG    1       -4.460  -0.252   0.147  0.00  0.00    +0.133 A 
ATOM     23  C   LIG    1       -4.804  -0.881  -1.056  0.00  0.00    +0.046 A 
ATOM     24  C   LIG    1       -6.095  -0.761  -1.560  0.00  0.00    +0.005 A 
ATOM     25  C   LIG    1       -7.045  -0.026  -0.854  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1       -6.707   0.582   0.361  0.00  0.00    +0.047 A 
ATOM     27 CL   LIG    1       -7.944   1.474   1.177  0.00  0.00    -0.083 Cl
ENDBRANCH  19  22
ENDBRANCH  13  19
ENDBRANCH   1  15
BRANCH  11  28
ATOM     28  C   LIG    1        5.017   1.837   0.673  0.00  0.00    +0.136 C 
BRANCH  28  29
ATOM     29  N   LIG    1        6.314   2.418   1.036  0.00  0.00    -0.325 NA
ATOM     30  H   LIG    1        6.971   2.206   0.281  0.00  0.00    +0.119 HD
ATOM     31  H   LIG    1        6.686   1.877   1.821  0.00  0.00    +0.119 HD
ENDBRANCH  28  29
ENDBRANCH  11  28
TORSDOF 5