REMARK  Name = BDB014160
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.542  -1.253   0.355  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1       -1.647  -2.429   1.026  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1       -2.813  -2.675   1.655  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1       -3.891  -1.809   1.642  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1       -3.779  -0.608   0.937  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1       -2.575  -0.323   0.292  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1       -4.902   0.308   0.924  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1       -5.324   1.136  -0.091  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1       -6.427   1.752   0.426  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1       -7.042   2.438   0.000  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1       -6.694   1.324   1.666  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1       -5.769   0.430   1.983  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1       -4.884   1.419  -1.452  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1       -3.797   2.225  -1.472  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1       -4.577   0.298  -2.144  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1       -5.854   2.062  -2.154  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1        1.767  -1.157  -1.056  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1        0.817  -1.824  -0.339  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -0.274  -0.980  -0.310  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1        0.003   0.180  -1.008  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1        1.234   0.037  -1.447  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1        3.102  -1.635  -1.356  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1        4.080  -1.449  -0.195  0.00  0.00    +0.059 C 
BRANCH  23  29
ATOM     24  F   LIG    1        5.378   3.965   0.694  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1        5.073   2.678   0.486  0.00  0.00    +0.126 A 
ATOM     26  C   LIG    1        5.673   1.994  -0.561  0.00  0.00    +0.077 A 
ATOM     27  C   LIG    1        5.345   0.660  -0.765  0.00  0.00    +0.129 A 
ATOM     28  F   LIG    1        5.911   0.001  -1.786  0.00  0.00    -0.205 F 
ATOM     29  C   LIG    1        4.431  -0.004   0.062  0.00  0.00    -0.010 A 
ATOM     30  C   LIG    1        3.831   0.707   1.111  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1        4.154   2.049   1.322  0.00  0.00    +0.039 A 
ENDBRANCH  23  29
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6