REMARK  Name = BDB007844
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.270   0.428   0.528  0.00  0.00    +0.125 A 
ATOM      2  N   LIG    1        1.300  -0.177  -0.170  0.00  0.00    -0.233 NA
ATOM      3  C   LIG    1        0.014   0.226   0.019  0.00  0.00    +0.082 A 
ATOM      4  C   LIG    1       -1.010  -0.346  -0.908  0.00  0.00    +0.167 C 
ATOM      5  N   LIG    1       -2.366  -0.288  -0.386  0.00  0.00    -0.276 N 
ATOM      6  C   LIG    1       -2.771   0.843   0.332  0.00  0.00    +0.314 C 
ATOM      7  N   LIG    1       -1.759   1.559   1.003  0.00  0.00    -0.222 N 
ATOM      8  O   LIG    1       -3.966   1.139   0.419  0.00  0.00    -0.252 OA
ATOM      9  C   LIG    1       -0.374   1.224   0.902  0.00  0.00    +0.066 A 
ATOM     10  C   LIG    1        0.664   1.880   1.570  0.00  0.00    +0.029 A 
ATOM     11  C   LIG    1        1.991   1.472   1.397  0.00  0.00    +0.046 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -2.160   2.586   1.912  0.00  0.00    +0.043 A 
ATOM     13  C   LIG    1       -2.936   3.661   1.454  0.00  0.00    +0.025 A 
ATOM     14  C   LIG    1       -3.358   4.660   2.336  0.00  0.00    +0.022 A 
ATOM     15  C   LIG    1       -3.024   4.578   3.686  0.00  0.00    +0.041 A 
ATOM     16 CL   LIG    1       -3.543   5.806   4.772  0.00  0.00    -0.084 Cl
ATOM     17  C   LIG    1       -2.279   3.502   4.163  0.00  0.00    +0.022 A 
ATOM     18  C   LIG    1       -1.855   2.504   3.280  0.00  0.00    +0.025 A 
ENDBRANCH   7  12
BRANCH   5  19
ATOM     19  C   LIG    1       -3.412  -1.084  -1.062  0.00  0.00    +0.078 C 
ATOM     20  C   LIG    1       -3.676  -0.609  -2.507  0.00  0.00    +0.022 C 
ATOM     21  C   LIG    1       -3.104  -1.568  -3.546  0.00  0.00    +0.002 C 
ATOM     22  C   LIG    1       -3.683  -2.977  -3.406  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1       -4.034  -3.359  -1.967  0.00  0.00    +0.002 C 
ATOM     24  C   LIG    1       -3.176  -2.605  -0.957  0.00  0.00    +0.022 C 
ENDBRANCH   5  19
BRANCH   1  26
ATOM     25  C   LIG    1        4.082  -0.994  -0.390  0.00  0.00    +0.235 C 
ATOM     26  N   LIG    1        3.601   0.048   0.382  0.00  0.00    -0.269 N 
ATOM     27  H   LIG    1        4.312   0.506   0.944  0.00  0.00    +0.156 HD
ATOM     28  O   LIG    1        3.429  -1.760  -1.090  0.00  0.00    -0.274 OA
BRANCH  25  29
ATOM     29  C   LIG    1        5.634  -1.053  -0.331  0.00  0.00    +0.137 C 
ATOM     30  C   LIG    1        6.126  -2.465  -0.642  0.00  0.00    +0.034 C 
BRANCH  29  32
ATOM     31  C   LIG    1        7.491  -0.186   1.002  0.00  0.00    +0.101 C 
ATOM     32  N   LIG    1        6.084  -0.573   1.007  0.00  0.00    -0.309 NA
ATOM     33  H   LIG    1        5.955  -1.335   1.678  0.00  0.00    +0.122 HD
ENDBRANCH  29  32
ENDBRANCH  25  29
ENDBRANCH   1  26
TORSDOF 5