REMARK  Name = BDB049663
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.823   1.413   0.022  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -2.076   0.811  -0.209  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.187  -0.428   0.382  0.00  0.00    -0.267 N 
ATOM      4  H   LIG    1       -1.535  -0.601   1.137  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -2.968   1.365  -0.844  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -3.254  -1.343   0.278  0.00  0.00    +0.071 A 
ATOM      7  C   LIG    1       -3.247  -2.437   1.154  0.00  0.00    +0.156 A 
ATOM      8  F   LIG    1       -2.245  -2.550   2.042  0.00  0.00    -0.203 F 
ATOM      9  C   LIG    1       -4.248  -3.407   1.130  0.00  0.00    +0.092 A 
ATOM     10  C   LIG    1       -5.285  -3.279   0.196  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1       -5.302  -2.200  -0.689  0.00  0.00    +0.003 A 
ATOM     12  C   LIG    1       -4.289  -1.237  -0.650  0.00  0.00    +0.026 A 
BRANCH   9  13
ATOM     13  C   LIG    1       -4.181  -4.548   2.097  0.00  0.00    +0.420 C 
ATOM     14  F   LIG    1       -5.225  -5.418   1.970  0.00  0.00    -0.166 F 
ATOM     15  F   LIG    1       -3.058  -5.304   1.947  0.00  0.00    -0.166 F 
ATOM     16  F   LIG    1       -4.200  -4.145   3.397  0.00  0.00    -0.166 F 
ENDBRANCH   9  13
ENDBRANCH   3   6
BRANCH   1  20
ATOM     17  N   LIG    1        2.913  -0.482  -0.656  0.00  0.00    -0.302 NA
ATOM     18  C   LIG    1        2.936   0.731   0.162  0.00  0.00    +0.086 C 
ATOM     19  C   LIG    1        1.554   0.989   0.771  0.00  0.00    +0.038 C 
ATOM     20  C   LIG    1        0.409   0.610  -0.184  0.00  0.00    +0.080 C 
ATOM     21  C   LIG    1        0.881   0.635  -1.643  0.00  0.00    +0.038 C 
ATOM     22  C   LIG    1        2.062  -0.322  -1.847  0.00  0.00    +0.086 C 
BRANCH  17  23
ATOM     23  C   LIG    1        4.277  -0.924  -0.997  0.00  0.00    +0.084 C 
BRANCH  23  24
ATOM     24  C   LIG    1        4.301  -2.309  -1.659  0.00  0.00    +0.015 C 
BRANCH  24  26
ATOM     25  C   LIG    1        6.564  -2.054  -2.813  0.00  0.00    +0.004 C 
ATOM     26  C   LIG    1        5.717  -2.863  -1.842  0.00  0.00    -0.002 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  17  23
ENDBRANCH   1  20
BRANCH   1  27
ATOM     27  C   LIG    1       -0.758   2.845  -0.287  0.00  0.00    +0.144 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -1.449   3.694   0.759  0.00  0.00    -0.030 A 
ATOM     29  C   LIG    1       -0.859   3.913   2.013  0.00  0.00    +0.005 A 
ATOM     30  C   LIG    1       -1.502   4.696   2.974  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -2.744   5.264   2.696  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -3.345   5.046   1.459  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -2.703   4.265   0.497  0.00  0.00    +0.005 A 
ENDBRANCH  27  28
ENDBRANCH   1  27
TORSDOF 8