REMARK  Name = BDB004033
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.725   0.091  -0.359  0.00  0.00    +0.128 A 
ATOM      2  N   LIG    1        0.303  -0.535   0.239  0.00  0.00    -0.199 NA
ATOM      3  C   LIG    1        1.539  -0.037   0.062  0.00  0.00    +0.221 A 
ATOM      4  N   LIG    1        1.794   1.044  -0.687  0.00  0.00    -0.223 NA
ATOM      5  C   LIG    1        0.750   1.633  -1.292  0.00  0.00    +0.118 A 
ATOM      6  C   LIG    1       -0.541   1.193  -1.163  0.00  0.00    +0.063 A 
ENDROOT
BRANCH   1   7
ATOM      7  N   LIG    1       -1.994  -0.476  -0.163  0.00  0.00    -0.299 N 
ATOM      8  H   LIG    1       -1.867  -1.289   0.442  0.00  0.00    +0.154 HD
BRANCH   7  10
ATOM      9  C   LIG    1       -4.436  -0.556  -0.198  0.00  0.00    +0.076 A 
ATOM     10  C   LIG    1       -3.241   0.154   0.042  0.00  0.00    +0.044 A 
ATOM     11  C   LIG    1       -3.329   1.471   0.524  0.00  0.00    +0.024 A 
ATOM     12  C   LIG    1       -4.565   2.085   0.735  0.00  0.00    +0.002 A 
ATOM     13  C   LIG    1       -5.739   1.391   0.474  0.00  0.00    +0.001 A 
ATOM     14  C   LIG    1       -5.676   0.078   0.012  0.00  0.00    +0.014 A 
BRANCH   9  16
ATOM     15  F   LIG    1       -5.622  -2.596  -0.644  0.00  0.00    -0.166 F 
ATOM     16  C   LIG    1       -4.408  -1.974  -0.712  0.00  0.00    +0.419 C 
ATOM     17  F   LIG    1       -4.027  -2.060  -2.017  0.00  0.00    -0.166 F 
ATOM     18  F   LIG    1       -3.555  -2.778  -0.012  0.00  0.00    -0.166 F 
ENDBRANCH   9  16
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  19
ATOM     19  N   LIG    1        2.547  -0.732   0.725  0.00  0.00    -0.284 N 
ATOM     20  H   LIG    1        2.137  -1.514   1.213  0.00  0.00    +0.155 HD
BRANCH  19  21
ATOM     21  C   LIG    1        3.935  -0.589   0.815  0.00  0.00    +0.034 A 
ATOM     22  C   LIG    1        4.660   0.422   0.178  0.00  0.00    +0.023 A 
ATOM     23  C   LIG    1        6.051   0.514   0.312  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        6.742  -0.408   1.091  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1        6.043  -1.422   1.736  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.654  -1.508   1.598  0.00  0.00    +0.023 A 
ENDBRANCH  19  21
ENDBRANCH   3  19
TORSDOF 5