REMARK  Name = BDB018944
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.164  -1.378   0.429  0.00  0.00    -0.300 N 
ATOM      2  C   LIG    1       -1.176  -0.933   0.324  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1       -2.220  -1.597   0.992  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1       -3.542  -1.130   0.884  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1       -3.863  -0.006   0.110  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1       -2.841   0.666  -0.576  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1       -1.951  -2.781   1.884  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.585  -3.389   1.619  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1       -1.514   0.199  -0.439  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1        0.461  -2.285   1.551  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  16
ATOM     11  C   LIG    1        4.916   0.281  -0.153  0.00  0.00    +0.062 A 
ATOM     12  C   LIG    1        3.599  -0.172  -0.507  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        3.493  -0.179  -1.906  0.00  0.00    +0.068 A 
ATOM     14  C   LIG    1        2.297  -0.580  -2.533  0.00  0.00    +0.067 A 
ATOM     15  C   LIG    1        1.213  -0.973  -1.736  0.00  0.00    +0.045 A 
ATOM     16  C   LIG    1        1.278  -0.974  -0.341  0.00  0.00    +0.036 A 
ATOM     17 CL   LIG    1        2.090  -0.616  -4.243  0.00  0.00    -0.081 Cl
ATOM     18  N   LIG    1        4.714   0.249  -2.388  0.00  0.00    -0.348 N 
ATOM     19  C   LIG    1        5.092   0.391  -3.778  0.00  0.00    +0.149 C 
ATOM     20  C   LIG    1        2.479  -0.572   0.262  0.00  0.00    +0.034 A 
ATOM     21  C   LIG    1        5.569   0.525  -1.349  0.00  0.00    +0.099 A 
BRANCH  11  25
ATOM     22  C   LIG    1        7.226   1.458   2.557  0.00  0.00    +0.128 C 
ATOM     23  N   LIG    1        6.646   1.132   1.280  0.00  0.00    -0.314 N 
ATOM     24  H   LIG    1        6.945   1.655   0.471  0.00  0.00    +0.149 HD
ATOM     25  C   LIG    1        5.461   0.429   1.199  0.00  0.00    +0.246 C 
ATOM     26  O   LIG    1        4.896  -0.022   2.191  0.00  0.00    -0.270 OA
ENDBRANCH  11  25
ENDBRANCH   1  16
BRANCH   5  27
ATOM     27  C   LIG    1       -5.251   0.408   0.067  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1       -5.723   1.635   0.481  0.00  0.00    +0.116 A 
ATOM     29  N   LIG    1       -7.075   1.600   0.302  0.00  0.00    -0.274 N 
ATOM     30  C   LIG    1       -8.011   2.666   0.562  0.00  0.00    +0.172 C 
ATOM     31  N   LIG    1       -7.528   0.416  -0.152  0.00  0.00    -0.179 NA
ATOM     32  C   LIG    1       -6.413  -0.306  -0.300  0.00  0.00    +0.142 A 
ENDBRANCH   5  27
BRANCH   6  33
ATOM     33  C   LIG    1       -3.087   1.878  -1.438  0.00  0.00    +0.372 C 
ATOM     34  F   LIG    1       -3.286   3.015  -0.713  0.00  0.00    -0.204 F 
ATOM     35  F   LIG    1       -4.160   1.760  -2.269  0.00  0.00    -0.204 F 
ENDBRANCH   6  33
TORSDOF 4