REMARK  Name = BDB014106
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.079  -0.583  -0.326  0.00  0.00    -0.253 N 
ATOM      2  C   LIG    1       -0.832   0.368  -1.060  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -2.129  -0.145  -0.601  0.00  0.00    +0.076 A 
ATOM      4  C   LIG    1       -2.035  -1.191   0.260  0.00  0.00    +0.083 A 
ATOM      5  C   LIG    1       -3.342  -1.516   0.585  0.00  0.00    +0.079 A 
ATOM      6  N   LIG    1       -4.219  -0.715  -0.049  0.00  0.00    -0.175 NA
ATOM      7  N   LIG    1       -3.438   0.132  -0.770  0.00  0.00    -0.268 N 
ATOM      8  C   LIG    1       -4.046   1.167  -1.565  0.00  0.00    +0.172 C 
ATOM      9  C   LIG    1       -0.662  -1.517   0.472  0.00  0.00    +0.255 C 
ATOM     10  O   LIG    1       -0.261  -2.431   1.172  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        4.040   1.089  -2.823  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        3.458   0.251  -1.712  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.280  -0.523  -0.835  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.666  -1.257   0.164  0.00  0.00    -0.280 N 
ATOM     15  C   LIG    1        4.697  -1.875   0.838  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        5.843  -1.556   0.263  0.00  0.00    -0.128 NA
ATOM     17  C   LIG    1        2.287  -1.294   0.347  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        1.469  -0.587  -0.461  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.580  -0.705  -0.781  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        2.118   0.206  -1.518  0.00  0.00    +0.032 A 
BRANCH  15  21
ATOM     21  C   LIG    1        4.491  -2.771   1.996  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1        5.642  -2.991   2.687  0.00  0.00    -0.201 F 
ATOM     23  F   LIG    1        3.619  -2.232   2.893  0.00  0.00    -0.201 F 
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1       -0.627   1.830  -0.701  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -0.449   2.249   0.630  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -0.279   3.601   0.936  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -0.292   4.549  -0.083  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -0.084   6.214   0.293  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -0.476   4.157  -1.406  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -0.646   2.804  -1.714  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   5  31
ATOM     31  C   LIG    1       -3.766  -2.658   1.539  0.00  0.00    +0.040 C 
ATOM     32  C   LIG    1       -3.380  -2.583   2.994  0.00  0.00    +0.010 C 
ATOM     33  C   LIG    1       -4.812  -2.391   2.590  0.00  0.00    +0.010 C 
ENDBRANCH   5  31
TORSDOF 4