REMARK  Name = BDB005015
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.019  -3.123  -2.688  0.00  0.00    +0.033 C 
ATOM      2  C   LIG    1       -0.163  -2.380  -1.361  0.00  0.00    +0.099 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.138  -1.212  -1.339  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1       -1.762  -0.854  -0.125  0.00  0.00    +0.028 A 
ATOM      5  C   LIG    1       -2.671   0.213  -0.050  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -2.958   0.934  -1.207  0.00  0.00    +0.023 A 
ATOM      7  C   LIG    1       -2.347   0.598  -2.416  0.00  0.00    +0.002 A 
ATOM      8  C   LIG    1       -1.445  -0.465  -2.482  0.00  0.00    +0.005 A 
BRANCH   5   9
ATOM      9  N   LIG    1       -3.240   0.487   1.211  0.00  0.00    -0.285 N 
ATOM     10  H   LIG    1       -2.942  -0.113   1.970  0.00  0.00    +0.155 HD
ATOM     11  C   LIG    1       -4.171   1.459   1.517  0.00  0.00    +0.232 C 
ATOM     12  O   LIG    1       -4.689   2.264   0.758  0.00  0.00    -0.275 OA
BRANCH  11  13
ATOM     13  C   LIG    1       -4.545   1.490   2.961  0.00  0.00    +0.142 C 
ATOM     14  C   LIG    1       -4.471   2.838   3.677  0.00  0.00    +0.026 C 
ATOM     15  C   LIG    1       -3.448   1.786   3.986  0.00  0.00    +0.026 C 
BRANCH  13  16
ATOM     16  C   LIG    1       -5.648   0.548   3.321  0.00  0.00    +0.404 C 
ATOM     17  F   LIG    1       -6.768   0.772   2.602  0.00  0.00    -0.170 F 
ATOM     18  F   LIG    1       -5.976   0.640   4.633  0.00  0.00    -0.170 F 
ATOM     19  F   LIG    1       -5.253  -0.730   3.100  0.00  0.00    -0.170 F 
ENDBRANCH  13  16
ENDBRANCH  11  13
ENDBRANCH   5   9
ENDBRANCH   2   3
BRANCH   2  20
ATOM     20  N   LIG    1        1.115  -2.051  -0.711  0.00  0.00    -0.322 N 
ATOM     21  H   LIG    1        0.947  -1.716   0.233  0.00  0.00    +0.148 HD
BRANCH  20  22
ATOM     22  C   LIG    1        2.033  -1.171  -1.315  0.00  0.00    +0.130 A 
ATOM     23  C   LIG    1        3.259  -0.907  -0.664  0.00  0.00    +0.041 A 
ATOM     24  C   LIG    1        4.128   0.008  -1.291  0.00  0.00    +0.088 A 
ATOM     25  C   LIG    1        5.349   0.298  -0.646  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        5.697  -0.314   0.574  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1        4.845  -1.227   1.174  0.00  0.00    +0.002 A 
ATOM     28  N   LIG    1        3.787   0.574  -2.469  0.00  0.00    -0.235 NA
ATOM     29  C   LIG    1        2.616   0.226  -3.014  0.00  0.00    +0.223 A 
ATOM     30  C   LIG    1        3.637  -1.521   0.558  0.00  0.00    +0.013 A 
ATOM     31  N   LIG    1        1.732  -0.623  -2.497  0.00  0.00    -0.220 NA
BRANCH  25  32
ATOM     32  C   LIG    1        6.360   1.257  -1.194  0.00  0.00    +0.244 C 
ATOM     33  O   LIG    1        7.425   1.464  -0.620  0.00  0.00    -0.270 OA
ATOM     34  N   LIG    1        6.077   1.909  -2.356  0.00  0.00    -0.325 N 
ATOM     35  H   LIG    1        5.213   1.726  -2.858  0.00  0.00    +0.145 HD
ATOM     36  H   LIG    1        6.763   2.539  -2.746  0.00  0.00    +0.145 HD
ENDBRANCH  25  32
ENDBRANCH  20  22
ENDBRANCH   2  20
TORSDOF 7