REMARK  Name = BDB004978
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -3.452  -0.923  -0.407  0.00  0.00    +0.063 A 
ATOM      2  C   LIG    1       -2.338  -0.063  -0.296  0.00  0.00    +0.088 A 
ATOM      3  C   LIG    1       -1.348  -0.399   0.648  0.00  0.00    +0.041 A 
ATOM      4  C   LIG    1       -0.249   0.480   0.754  0.00  0.00    +0.130 A 
ATOM      5  N   LIG    1       -0.129   1.570  -0.018  0.00  0.00    -0.220 NA
ATOM      6  C   LIG    1       -1.109   1.796  -0.889  0.00  0.00    +0.223 A 
ATOM      7  C   LIG    1       -1.475  -1.577   1.427  0.00  0.00    +0.013 A 
ATOM      8  C   LIG    1       -2.576  -2.412   1.299  0.00  0.00    +0.002 A 
ATOM      9  N   LIG    1       -2.204   1.046  -1.057  0.00  0.00    -0.235 NA
ATOM     10  C   LIG    1       -3.565  -2.082   0.387  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1  14
ATOM     11  N   LIG    1       -4.527   0.405  -2.176  0.00  0.00    -0.325 N 
ATOM     12  H   LIG    1       -5.280   0.569  -2.828  0.00  0.00    +0.145 HD
ATOM     13  H   LIG    1       -3.733   1.039  -2.148  0.00  0.00    +0.145 HD
ATOM     14  C   LIG    1       -4.582  -0.684  -1.359  0.00  0.00    +0.244 C 
ATOM     15  O   LIG    1       -5.546  -1.441  -1.414  0.00  0.00    -0.270 OA
ENDBRANCH   1  14
BRANCH   4  16
ATOM     16  N   LIG    1        0.761   0.207   1.705  0.00  0.00    -0.324 N 
ATOM     17  H   LIG    1        0.321   0.172   2.621  0.00  0.00    +0.148 HD
BRANCH  16  18
ATOM     18  C   LIG    1        1.911   1.105   1.712  0.00  0.00    +0.138 C 
BRANCH  18  19
ATOM     19  C   LIG    1        2.900   0.727   0.632  0.00  0.00    -0.025 A 
ATOM     20  C   LIG    1        3.193   1.617  -0.412  0.00  0.00    +0.046 A 
ATOM     21  C   LIG    1        4.097   1.253  -1.409  0.00  0.00    +0.162 A 
ATOM     22  F   LIG    1        4.362   2.119  -2.397  0.00  0.00    -0.202 F 
ATOM     23  C   LIG    1        4.719   0.013  -1.384  0.00  0.00    +0.193 A 
ATOM     24  F   LIG    1        5.590  -0.326  -2.345  0.00  0.00    -0.199 F 
ATOM     25  C   LIG    1        4.433  -0.873  -0.355  0.00  0.00    +0.162 A 
ATOM     26  F   LIG    1        5.026  -2.075  -0.317  0.00  0.00    -0.202 F 
ATOM     27  C   LIG    1        3.532  -0.528   0.650  0.00  0.00    +0.046 A 
ENDBRANCH  18  19
ENDBRANCH  16  18
ENDBRANCH   4  16
TORSDOF 4