REMARK  Name = BDB009616
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.959  -1.135   0.106  0.00  0.00    -0.290 N 
ATOM      2  C   LIG    1       -0.563   0.258   0.438  0.00  0.00    +0.114 C 
ATOM      3  C   LIG    1        0.253   0.921  -0.711  0.00  0.00    +0.045 C 
ATOM      4  C   LIG    1        1.233  -0.033  -1.419  0.00  0.00    +0.026 C 
ATOM      5  C   LIG    1        1.367  -1.440  -0.817  0.00  0.00    +0.053 C 
ATOM      6  C   LIG    1        2.240  -1.463   0.450  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1       -0.023  -2.002  -0.471  0.00  0.00    +0.223 C 
ATOM      8  O   LIG    1       -0.252  -3.199  -0.650  0.00  0.00    -0.275 OA
ENDROOT
BRANCH   2   9
ATOM      9  C   LIG    1       -1.714   1.186   0.848  0.00  0.00    -0.026 A 
ATOM     10  C   LIG    1       -2.720   1.567  -0.059  0.00  0.00    +0.007 A 
ATOM     11  C   LIG    1       -3.748   2.427   0.334  0.00  0.00    +0.020 A 
ATOM     12  C   LIG    1       -3.780   2.921   1.635  0.00  0.00    +0.041 A 
ATOM     13 CL   LIG    1       -5.046   3.981   2.116  0.00  0.00    -0.084 Cl
ATOM     14  C   LIG    1       -2.792   2.562   2.547  0.00  0.00    +0.020 A 
ATOM     15  C   LIG    1       -1.764   1.700   2.156  0.00  0.00    +0.007 A 
ENDBRANCH   2   9
BRANCH   3  16
ATOM     16  C   LIG    1        0.952   2.212  -0.286  0.00  0.00    -0.041 A 
ATOM     17  C   LIG    1        1.925   2.233   0.724  0.00  0.00    +0.024 A 
ATOM     18  C   LIG    1        2.535   3.433   1.095  0.00  0.00    +0.041 A 
ATOM     19 CL   LIG    1        3.721   3.434   2.341  0.00  0.00    -0.084 Cl
ATOM     20  C   LIG    1        2.190   4.627   0.467  0.00  0.00    +0.020 A 
ATOM     21  C   LIG    1        1.228   4.620  -0.540  0.00  0.00    +0.002 A 
ATOM     22  C   LIG    1        0.615   3.423  -0.914  0.00  0.00    +0.004 A 
ENDBRANCH   3  16
BRANCH   1  23
ATOM     23  C   LIG    1       -2.174  -1.742   0.730  0.00  0.00    +0.076 C 
BRANCH  23  25
ATOM     24  C   LIG    1       -1.154  -1.971   3.082  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -1.846  -2.673   1.924  0.00  0.00    +0.019 C 
ENDBRANCH  23  25
BRANCH  23  26
ATOM     26  C   LIG    1       -3.074  -2.503  -0.280  0.00  0.00    +0.019 C 
ATOM     27  C   LIG    1       -3.518  -1.662  -1.466  0.00  0.00    +0.006 C 
ENDBRANCH  23  26
ENDBRANCH   1  23
BRANCH   5  28
ATOM     28  C   LIG    1        2.002  -2.398  -1.870  0.00  0.00    +0.113 C 
BRANCH  28  29
ATOM     29  C   LIG    1        3.340  -1.968  -2.362  0.00  0.00    +0.220 A 
ATOM     30  O   LIG    1        4.419  -2.430  -1.694  0.00  0.00    -0.393 OA
ATOM     31  C   LIG    1        5.472  -1.871  -2.349  0.00  0.00    +0.436 A 
ATOM     32  O   LIG    1        6.647  -2.025  -2.073  0.00  0.00    -0.221 OA
ATOM     33  N   LIG    1        4.938  -1.114  -3.354  0.00  0.00    -0.208 N 
ATOM     34  H   LIG    1        5.467  -0.572  -4.024  0.00  0.00    +0.195 HD
ATOM     35  N   LIG    1        3.581  -1.176  -3.360  0.00  0.00    -0.135 NA
ENDBRANCH  28  29
ENDBRANCH   5  28
TORSDOF 7