REMARK  Name = BDB016912
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        0.956  -0.975  -0.303  0.00  0.00    -0.252 N 
ATOM      2  C   LIG    1       -0.230  -0.095  -0.621  0.00  0.00    +0.161 C 
ATOM      3  C   LIG    1       -1.015  -1.012  -1.469  0.00  0.00    +0.077 A 
ATOM      4  C   LIG    1       -0.443  -2.239  -1.585  0.00  0.00    +0.149 A 
ATOM      5  N   LIG    1       -1.182  -3.068  -2.355  0.00  0.00    -0.228 NA
ATOM      6  C   LIG    1       -2.222  -2.335  -2.731  0.00  0.00    +0.108 A 
ATOM      7  C   LIG    1       -3.333  -2.829  -3.587  0.00  0.00    +0.086 C 
ATOM      8  N   LIG    1       -2.142  -1.034  -2.226  0.00  0.00    -0.327 N 
ATOM      9  C   LIG    1        0.805  -2.284  -0.864  0.00  0.00    +0.272 C 
ATOM     10  O   LIG    1        1.553  -3.247  -0.807  0.00  0.00    -0.268 OA
ENDROOT
BRANCH   1  18
ATOM     11  C   LIG    1        5.153  -2.118   2.123  0.00  0.00    +0.047 C 
ATOM     12  C   LIG    1        4.176  -1.081   1.628  0.00  0.00    -0.004 A 
ATOM     13  C   LIG    1        4.354   0.315   1.878  0.00  0.00    +0.164 A 
ATOM     14  N   LIG    1        3.397   1.188   1.397  0.00  0.00    -0.280 N 
ATOM     15  C   LIG    1        3.826   2.436   1.788  0.00  0.00    +0.204 A 
ATOM     16  N   LIG    1        4.960   2.323   2.454  0.00  0.00    -0.128 NA
ATOM     17  C   LIG    1        2.276   0.786   0.677  0.00  0.00    +0.118 A 
ATOM     18  C   LIG    1        2.067  -0.521   0.412  0.00  0.00    +0.055 A 
ATOM     19  N   LIG    1        5.289   0.990   2.510  0.00  0.00    -0.129 NA
ATOM     20  C   LIG    1        3.078  -1.458   0.928  0.00  0.00    +0.032 A 
BRANCH  15  21
ATOM     21  C   LIG    1        3.093   3.677   1.480  0.00  0.00    +0.408 C 
ATOM     22  F   LIG    1        2.948   3.838   0.134  0.00  0.00    -0.201 F 
ATOM     23  F   LIG    1        1.825   3.636   1.977  0.00  0.00    -0.201 F 
ENDBRANCH  15  21
ENDBRANCH   1  18
BRANCH   2  24
ATOM     24  C   LIG    1       -0.974   0.350   0.630  0.00  0.00    -0.021 A 
ATOM     25  C   LIG    1       -1.444  -0.580   1.577  0.00  0.00    +0.007 A 
ATOM     26  C   LIG    1       -2.119  -0.154   2.724  0.00  0.00    +0.020 A 
ATOM     27  C   LIG    1       -2.329   1.205   2.940  0.00  0.00    +0.041 A 
ATOM     28 CL   LIG    1       -3.161   1.729   4.350  0.00  0.00    -0.084 Cl
ATOM     29  C   LIG    1       -1.869   2.142   2.018  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -1.197   1.718   0.869  0.00  0.00    +0.007 A 
ENDBRANCH   2  24
BRANCH   8  31
ATOM     31  C   LIG    1       -3.089   0.040  -2.504  0.00  0.00    +0.083 C 
ATOM     32  C   LIG    1       -2.417   1.365  -2.863  0.00  0.00    +0.030 C 
ATOM     33  C   LIG    1       -4.106   0.205  -1.377  0.00  0.00    +0.030 C 
ENDBRANCH   8  31
TORSDOF 4