REMARK  Name = BDB018968
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -1.134  -0.860   0.141  0.00  0.00    -0.298 N 
ATOM      2  C   LIG    1        0.257  -0.584   0.095  0.00  0.00    +0.038 A 
ATOM      3  C   LIG    1        1.208  -1.600  -0.112  0.00  0.00    -0.025 A 
ATOM      4  C   LIG    1        2.578  -1.289  -0.152  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        3.030   0.032  -0.025  0.00  0.00    -0.006 A 
ATOM      6  C   LIG    1        2.095   1.067   0.124  0.00  0.00    +0.027 A 
ATOM      7  C   LIG    1        0.791  -3.041  -0.249  0.00  0.00    +0.038 C 
ATOM      8  C   LIG    1       -0.681  -3.160  -0.607  0.00  0.00    +0.024 C 
ATOM      9  C   LIG    1        0.725   0.740   0.182  0.00  0.00    +0.033 A 
ATOM     10  C   LIG    1       -1.493  -2.279   0.329  0.00  0.00    +0.111 C 
ENDROOT
BRANCH   1  21
ATOM     11  C   LIG    1       -5.311  -1.076  -1.800  0.00  0.00    +0.038 C 
ATOM     12  C   LIG    1       -4.645   0.293  -1.904  0.00  0.00    +0.154 C 
ATOM     13  C   LIG    1       -5.551   1.361  -1.264  0.00  0.00    +0.237 C 
ATOM     14  O   LIG    1       -6.529   1.834  -1.847  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1       -5.294   1.701   0.040  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1       -5.938   2.348   0.473  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1       -4.181   1.222   0.742  0.00  0.00    +0.056 A 
ATOM     18  C   LIG    1       -4.034   1.545   2.092  0.00  0.00    +0.025 A 
ATOM     19  C   LIG    1       -2.925   1.080   2.798  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1       -1.965   0.296   2.156  0.00  0.00    +0.025 A 
ATOM     21  C   LIG    1       -2.098  -0.029   0.795  0.00  0.00    +0.057 A 
ATOM     22  C   LIG    1       -3.224   0.436   0.077  0.00  0.00    +0.071 A 
ATOM     23  N   LIG    1       -3.300   0.242  -1.317  0.00  0.00    -0.330 N 
ATOM     24  H   LIG    1       -2.695  -0.516  -1.622  0.00  0.00    +0.147 HD
ENDBRANCH   1  21
BRANCH   5  25
ATOM     25  C   LIG    1        4.457   0.272  -0.081  0.00  0.00    +0.020 A 
ATOM     26  C   LIG    1        5.201   0.838   0.931  0.00  0.00    +0.116 A 
ATOM     27  N   LIG    1        6.492   0.855   0.488  0.00  0.00    -0.274 N 
ATOM     28  C   LIG    1        7.645   1.360   1.193  0.00  0.00    +0.172 C 
ATOM     29  N   LIG    1        6.644   0.325  -0.740  0.00  0.00    -0.179 NA
ATOM     30  C   LIG    1        5.405  -0.042  -1.079  0.00  0.00    +0.142 A 
ENDBRANCH   5  25
BRANCH   6  31
ATOM     31  C   LIG    1        2.505   2.514   0.229  0.00  0.00    +0.372 C 
ATOM     32  F   LIG    1        1.478   3.385   0.002  0.00  0.00    -0.204 F 
ATOM     33  F   LIG    1        2.976   2.835   1.468  0.00  0.00    -0.204 F 
ENDBRANCH   6  31
TORSDOF 3