REMARK  Name = BDB021766
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.748  -0.273   0.309  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.783  -1.212   0.481  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.966  -0.862  -0.135  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -3.079   0.128  -0.283  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -1.619  -2.235   1.142  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   3   6
ATOM      6  C   LIG    1       -4.135  -1.645  -0.283  0.00  0.00    +0.040 A 
ATOM      7  C   LIG    1       -5.330  -1.016  -0.692  0.00  0.00    +0.006 A 
ATOM      8  C   LIG    1       -5.416   0.462  -0.957  0.00  0.00    +0.048 C 
ATOM      9  C   LIG    1       -6.481  -1.800  -0.857  0.00  0.00    +0.128 A 
ATOM     10  F   LIG    1       -7.632  -1.228  -1.242  0.00  0.00    -0.205 F 
ATOM     11  C   LIG    1       -6.473  -3.172  -0.633  0.00  0.00    +0.039 A 
ATOM     12  C   LIG    1       -5.294  -3.791  -0.241  0.00  0.00    +0.005 A 
ATOM     13  C   LIG    1       -4.132  -3.032  -0.072  0.00  0.00    +0.024 A 
ENDBRANCH   3   6
BRANCH   1  17
ATOM     14  N   LIG    1        3.465  -0.129   0.634  0.00  0.00    -0.300 NA
ATOM     15  C   LIG    1        2.728   0.315   1.819  0.00  0.00    +0.086 C 
ATOM     16  C   LIG    1        1.288   0.685   1.473  0.00  0.00    +0.038 C 
ATOM     17  C   LIG    1        0.530  -0.565   1.000  0.00  0.00    +0.080 C 
ATOM     18  C   LIG    1        1.424  -1.535   0.205  0.00  0.00    +0.038 C 
ATOM     19  C   LIG    1        2.674  -0.860  -0.358  0.00  0.00    +0.086 C 
BRANCH  14  20
ATOM     20  C   LIG    1        4.797  -0.667   0.947  0.00  0.00    +0.054 C 
ATOM     21  C   LIG    1        4.764  -2.124   1.434  0.00  0.00    +0.024 C 
BRANCH  20  22
ATOM     22  C   LIG    1        5.790  -0.532  -0.234  0.00  0.00    +0.018 C 
BRANCH  22  24
ATOM     23  C   LIG    1        5.107   1.663  -1.394  0.00  0.00    +0.004 C 
ATOM     24  C   LIG    1        6.169   0.907  -0.612  0.00  0.00    -0.002 C 
ENDBRANCH  22  24
ENDBRANCH  20  22
ENDBRANCH  14  20
ENDBRANCH   1  17
BRANCH   1  25
ATOM     25  C   LIG    1       -0.717   0.621  -0.858  0.00  0.00    +0.144 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.517   1.897  -0.701  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1       -1.981   2.554  -1.852  0.00  0.00    +0.005 A 
ATOM     28  C   LIG    1       -2.724   3.732  -1.752  0.00  0.00    +0.000 A 
ATOM     29  C   LIG    1       -3.004   4.274  -0.500  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1       -2.537   3.643   0.650  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1       -1.794   2.466   0.551  0.00  0.00    +0.005 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7