REMARK  Name = BDB061830
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.569  -1.887   0.387  0.00  0.00    -0.307 N 
ATOM      2  H   LIG    1        1.411  -0.920   0.132  0.00  0.00    +0.149 HD
ATOM      3  C   LIG    1        0.543  -2.777   0.144  0.00  0.00    +0.244 C 
ATOM      4  O   LIG    1        0.709  -3.988   0.045  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.812  -2.187  -0.040  0.00  0.00    +0.037 A 
ATOM      6  C   LIG    1       -1.735  -2.894  -0.829  0.00  0.00    +0.024 A 
ATOM      7  C   LIG    1       -3.019  -2.356  -1.021  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -4.180  -2.743  -1.723  0.00  0.00    +0.143 A 
ATOM      9  N   LIG    1       -5.179  -1.867  -1.593  0.00  0.00    -0.178 NA
ATOM     10  N   LIG    1       -4.654  -0.901  -0.804  0.00  0.00    -0.259 N 
ATOM     11  C   LIG    1       -3.354  -1.145  -0.420  0.00  0.00    +0.069 A 
ATOM     12  C   LIG    1       -2.454  -0.433   0.386  0.00  0.00    +0.029 A 
ATOM     13  C   LIG    1       -1.177  -0.979   0.568  0.00  0.00    +0.015 A 
BRANCH  10  14
ATOM     14  C   LIG    1       -5.487   0.232  -0.416  0.00  0.00    +0.179 C 
BRANCH  14  15
ATOM     15  C   LIG    1       -5.130   1.488  -1.174  0.00  0.00    -0.023 A 
ATOM     16  C   LIG    1       -4.715   2.639  -0.489  0.00  0.00    +0.043 A 
ATOM     17  C   LIG    1       -4.396   3.794  -1.198  0.00  0.00    +0.124 A 
ATOM     18  F   LIG    1       -3.994   4.883  -0.530  0.00  0.00    -0.205 F 
ATOM     19  C   LIG    1       -4.487   3.835  -2.583  0.00  0.00    +0.038 A 
ATOM     20  C   LIG    1       -4.908   2.702  -3.275  0.00  0.00    +0.003 A 
ATOM     21  C   LIG    1       -5.231   1.536  -2.575  0.00  0.00    +0.005 A 
ENDBRANCH  14  15
ENDBRANCH  10  14
ENDBRANCH   3   5
BRANCH   1  22
ATOM     22  C   LIG    1        2.936  -2.353   0.408  0.00  0.00    +0.140 C 
BRANCH  22  26
ATOM     23  C   LIG    1        5.519   0.446   2.481  0.00  0.00    +0.121 A 
ATOM     24  C   LIG    1        5.120   0.721   1.174  0.00  0.00    +0.058 A 
ATOM     25  C   LIG    1        4.277  -0.166   0.468  0.00  0.00    +0.063 A 
ATOM     26  C   LIG    1        3.842  -1.356   1.095  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1        4.241  -1.612   2.416  0.00  0.00    +0.009 A 
ATOM     28  C   LIG    1        5.072  -0.721   3.096  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1        3.846   0.189  -0.938  0.00  0.00    +0.418 C 
ATOM     30  F   LIG    1        4.333   1.384  -1.375  0.00  0.00    -0.166 F 
ATOM     31  F   LIG    1        2.489   0.286  -1.047  0.00  0.00    -0.166 F 
ATOM     32  F   LIG    1        4.237  -0.730  -1.861  0.00  0.00    -0.166 F 
ENDBRANCH  25  29
BRANCH  23  34
ATOM     33  C   LIG    1        6.836   2.420   2.673  0.00  0.00    +0.277 C 
ATOM     34  O   LIG    1        6.327   1.228   3.259  0.00  0.00    -0.495 OA
ENDBRANCH  23  34
ENDBRANCH  22  26
ENDBRANCH   1  22
TORSDOF 7