REMARK  Name = BDB061447
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -4.132  -2.561   0.440  0.00  0.00    +0.086 C 
ATOM      2  C   LIG    1       -2.688  -2.346   0.171  0.00  0.00    +0.109 A 
ATOM      3  N   LIG    1       -1.980  -1.236   0.585  0.00  0.00    -0.313 N 
ATOM      4  C   LIG    1       -0.682  -1.396   0.181  0.00  0.00    +0.161 A 
ATOM      5  C   LIG    1       -0.663  -2.609  -0.486  0.00  0.00    +0.108 A 
ATOM      6  C   LIG    1        0.553  -3.033  -1.024  0.00  0.00    +0.033 A 
ATOM      7  C   LIG    1        1.657  -2.192  -0.838  0.00  0.00    +0.030 A 
ATOM      8  C   LIG    1        1.522  -0.982  -0.138  0.00  0.00    +0.074 A 
ATOM      9  N   LIG    1        0.344  -0.549   0.383  0.00  0.00    -0.227 NA
ATOM     10  N   LIG    1       -1.907  -3.182  -0.491  0.00  0.00    -0.231 NA
ENDROOT
BRANCH   8  11
ATOM     11  C   LIG    1        2.663  -0.066   0.072  0.00  0.00    +0.007 A 
ATOM     12  C   LIG    1        3.974  -0.526   0.248  0.00  0.00    +0.053 A 
ATOM     13  C   LIG    1        5.000   0.386   0.446  0.00  0.00    +0.119 A 
ATOM     14  N   LIG    1        4.806   1.712   0.488  0.00  0.00    -0.218 NA
ATOM     15  C   LIG    1        3.553   2.162   0.325  0.00  0.00    +0.119 A 
ATOM     16  C   LIG    1        2.469   1.321   0.124  0.00  0.00    +0.053 A 
BRANCH  13  17
ATOM     17  N   LIG    1        6.306  -0.057   0.647  0.00  0.00    -0.343 N 
ATOM     18  H   LIG    1        6.888   0.772   0.739  0.00  0.00    +0.144 HD
ATOM     19  H   LIG    1        6.622  -0.656  -0.106  0.00  0.00    +0.144 HD
ENDBRANCH  13  17
BRANCH  15  20
ATOM     20  N   LIG    1        3.371   3.542   0.399  0.00  0.00    -0.343 N 
ATOM     21  H   LIG    1        2.877   3.900  -0.410  0.00  0.00    +0.144 HD
ATOM     22  H   LIG    1        4.291   3.960   0.503  0.00  0.00    +0.144 HD
ENDBRANCH  15  20
ENDBRANCH   8  11
BRANCH   3  23
ATOM     23  C   LIG    1       -2.472  -0.101   1.338  0.00  0.00    +0.125 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -2.530   1.204   0.539  0.00  0.00    +0.030 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -3.497   1.143  -0.645  0.00  0.00    +0.115 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -3.581   2.473  -1.365  0.00  0.00    +0.390 C 
ATOM     27  F   LIG    1       -2.380   2.851  -1.848  0.00  0.00    -0.171 F 
ATOM     28  F   LIG    1       -4.026   3.444  -0.539  0.00  0.00    -0.171 F 
ATOM     29  F   LIG    1       -4.440   2.395  -2.405  0.00  0.00    -0.171 F 
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH  23  24
ENDBRANCH   3  23
TORSDOF 7