REMARK  Name = BDB028438
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.797  -1.442  -1.208  0.00  0.00    +0.078 A 
ATOM      2  N   LIG    1       -0.929  -2.542  -2.030  0.00  0.00    -0.266 N 
ATOM      3  C   LIG    1       -2.108  -3.348  -2.256  0.00  0.00    +0.173 C 
ATOM      4  N   LIG    1        0.209  -2.884  -2.664  0.00  0.00    -0.179 NA
ATOM      5  C   LIG    1        1.088  -1.967  -2.261  0.00  0.00    +0.143 A 
ATOM      6  C   LIG    1        0.524  -1.041  -1.360  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   6   7
ATOM      7  C   LIG    1        1.146   0.074  -0.675  0.00  0.00    -0.014 A 
ATOM      8  C   LIG    1        2.238  -0.154   0.175  0.00  0.00    +0.019 A 
ATOM      9  C   LIG    1        2.842   0.916   0.847  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1        2.362   2.209   0.651  0.00  0.00    +0.050 A 
ATOM     11  C   LIG    1        3.017   3.331   1.344  0.00  0.00    +0.272 A 
ATOM     12  N   LIG    1        4.089   3.009   2.139  0.00  0.00    -0.242 N 
ATOM     13  H   LIG    1        4.556   3.771   2.621  0.00  0.00    +0.192 HD
ATOM     14  N   LIG    1        4.574   1.758   2.363  0.00  0.00    -0.174 NA
ATOM     15  O   LIG    1        2.619   4.483   1.210  0.00  0.00    -0.266 OA
ATOM     16  C   LIG    1        1.279   2.446  -0.202  0.00  0.00    +0.014 A 
ATOM     17  C   LIG    1        3.994   0.754   1.771  0.00  0.00    +0.083 A 
ATOM     18  C   LIG    1        0.673   1.378  -0.865  0.00  0.00    +0.009 A 
BRANCH  17  19
ATOM     19  C   LIG    1        4.551  -0.638   2.056  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  N   LIG    1        5.358  -1.076   0.916  0.00  0.00    -0.325 NA
ATOM     21  H   LIG    1        5.816  -1.956   1.155  0.00  0.00    +0.119 HD
ATOM     22  H   LIG    1        6.119  -0.405   0.787  0.00  0.00    +0.119 HD
ENDBRANCH  19  20
ENDBRANCH  17  19
ENDBRANCH   6   7
BRANCH   1  25
ATOM     23  C   LIG    1       -3.901   0.362   0.059  0.00  0.00    +0.139 A 
ATOM     24  C   LIG    1       -2.925  -0.135  -0.830  0.00  0.00    +0.103 A 
ATOM     25  C   LIG    1       -1.856  -0.914  -0.342  0.00  0.00    +0.023 A 
ATOM     26  C   LIG    1       -1.772  -1.181   1.032  0.00  0.00    +0.031 A 
ATOM     27  C   LIG    1       -2.738  -0.687   1.902  0.00  0.00    +0.045 A 
ATOM     28 CL   LIG    1       -2.620  -1.026   3.584  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -3.801   0.079   1.425  0.00  0.00    +0.067 A 
BRANCH  23  31
ATOM     30  C   LIG    1       -5.876   1.683   0.367  0.00  0.00    +0.277 C 
ATOM     31  O   LIG    1       -4.908   1.106  -0.501  0.00  0.00    -0.494 OA
ENDBRANCH  23  31
BRANCH  24  32
ATOM     32  C   LIG    1       -3.022   0.170  -2.232  0.00  0.00    +0.103 C 
ATOM     33  N   LIG    1       -3.084   0.390  -3.370  0.00  0.00    -0.191 NA
ENDBRANCH  24  32
ENDBRANCH   1  25
TORSDOF 6