REMARK  Name = BDB014154
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.272   1.470   1.138  0.00  0.00    +0.091 A 
ATOM      2  N   LIG    1        2.187   2.176   1.845  0.00  0.00    -0.253 NA
ATOM      3  C   LIG    1        3.397   1.613   2.028  0.00  0.00    +0.112 A 
ATOM      4  C   LIG    1        3.750   0.363   1.545  0.00  0.00    +0.030 A 
ATOM      5  C   LIG    1        2.797  -0.366   0.835  0.00  0.00    +0.008 A 
ATOM      6  C   LIG    1        1.540   0.208   0.620  0.00  0.00    +0.040 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        3.065  -1.685   0.293  0.00  0.00    +0.124 A 
ATOM      8  C   LIG    1        3.861  -2.684   0.808  0.00  0.00    +0.166 A 
ATOM      9  N   LIG    1        3.723  -3.706  -0.085  0.00  0.00    -0.253 N 
ATOM     10  H   LIG    1        4.139  -4.633  -0.075  0.00  0.00    +0.191 HD
ATOM     11  N   LIG    1        2.888  -3.383  -1.080  0.00  0.00    -0.067 NA
ATOM     12  N   LIG    1        2.470  -2.146  -0.857  0.00  0.00    -0.129 NA
BRANCH   8  13
ATOM     13  C   LIG    1        4.694  -2.840   1.993  0.00  0.00    +0.436 C 
ATOM     14  F   LIG    1        5.849  -2.139   1.892  0.00  0.00    -0.164 F 
ATOM     15  F   LIG    1        5.045  -4.139   2.180  0.00  0.00    -0.164 F 
ATOM     16  F   LIG    1        4.074  -2.433   3.124  0.00  0.00    -0.164 F 
ENDBRANCH   8  13
ENDBRANCH   5   7
BRANCH   1  19
ATOM     17  N   LIG    1       -1.942   2.684   0.075  0.00  0.00    -0.336 N 
ATOM     18  C   LIG    1       -0.783   2.018  -0.213  0.00  0.00    +0.117 A 
ATOM     19  C   LIG    1       -0.029   2.093   0.942  0.00  0.00    +0.107 A 
ATOM     20  N   LIG    1       -0.696   2.833   1.896  0.00  0.00    -0.234 NA
ATOM     21  C   LIG    1       -1.839   3.172   1.344  0.00  0.00    +0.200 A 
BRANCH  17  22
ATOM     22  C   LIG    1       -3.071   2.858  -0.816  0.00  0.00    +0.127 C 
BRANCH  22  23
ATOM     23  C   LIG    1       -4.100   1.725  -0.724  0.00  0.00    +0.061 C 
BRANCH  23  26
ATOM     24  F   LIG    1       -3.834   1.246  -3.458  0.00  0.00    -0.205 F 
ATOM     25  C   LIG    1       -3.473   0.243  -2.644  0.00  0.00    +0.128 A 
ATOM     26  C   LIG    1       -3.592   0.405  -1.257  0.00  0.00    +0.008 A 
ATOM     27  C   LIG    1       -3.190  -0.664  -0.442  0.00  0.00    +0.047 A 
ATOM     28 CL   LIG    1       -3.279  -0.589   1.281  0.00  0.00    -0.083 Cl
ATOM     29  C   LIG    1       -2.685  -1.842  -1.006  0.00  0.00    +0.020 A 
ATOM     30  C   LIG    1       -2.575  -1.974  -2.390  0.00  0.00    +0.004 A 
ATOM     31  C   LIG    1       -2.973  -0.925  -3.213  0.00  0.00    +0.039 A 
ENDBRANCH  23  26
ENDBRANCH  22  23
ENDBRANCH  17  22
ENDBRANCH   1  19
TORSDOF 6