REMARK  Name = BDB026838
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.066  -2.309  -0.299  0.00  0.00    +0.032 C 
ATOM      2  C   LIG    1       -0.390  -1.547   0.986  0.00  0.00    +0.122 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1       -1.219  -0.268   0.681  0.00  0.00    +0.182 C 
ATOM      4  O   LIG    1       -0.701   0.849   0.644  0.00  0.00    -0.290 OA
BRANCH   3   5
ATOM      5  C   LIG    1       -2.661  -0.417   0.403  0.00  0.00    +0.044 A 
ATOM      6  C   LIG    1       -3.580   0.625   0.026  0.00  0.00    +0.010 A 
ATOM      7  C   LIG    1       -4.839   0.045  -0.138  0.00  0.00    +0.047 A 
ATOM      8  C   LIG    1       -5.973   0.777  -0.509  0.00  0.00    +0.026 A 
ATOM      9  C   LIG    1       -5.820   2.150  -0.721  0.00  0.00    +0.002 A 
ATOM     10  C   LIG    1       -4.580   2.763  -0.566  0.00  0.00    +0.001 A 
ATOM     11  N   LIG    1       -4.704  -1.294   0.132  0.00  0.00    -0.360 N 
ATOM     12  H   LIG    1       -5.462  -1.962   0.095  0.00  0.00    +0.165 HD
ATOM     13  C   LIG    1       -3.457   2.014  -0.195  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -3.405  -1.585   0.456  0.00  0.00    +0.095 A 
ENDBRANCH   3   5
ENDBRANCH   2   3
BRANCH   2  15
ATOM     15  N   LIG    1        0.772  -1.274   1.873  0.00  0.00    -0.307 NA
ATOM     16  H   LIG    1        0.897  -2.080   2.486  0.00  0.00    +0.123 HD
BRANCH  15  17
ATOM     17  C   LIG    1        2.068  -1.000   1.238  0.00  0.00    +0.086 C 
BRANCH  17  18
ATOM     18  C   LIG    1        2.189   0.323   0.471  0.00  0.00    +0.050 C 
BRANCH  18  19
ATOM     19  C   LIG    1        3.603   0.544  -0.023  0.00  0.00    -0.046 A 
ATOM     20  C   LIG    1        4.005   0.046  -1.270  0.00  0.00    +0.005 A 
ATOM     21  C   LIG    1        5.315   0.233  -1.716  0.00  0.00    +0.020 A 
ATOM     22  C   LIG    1        6.228   0.915  -0.915  0.00  0.00    +0.041 A 
ATOM     23 CL   LIG    1        7.843   1.143  -1.465  0.00  0.00    -0.084 Cl
ATOM     24  C   LIG    1        5.843   1.412   0.328  0.00  0.00    +0.020 A 
ATOM     25  C   LIG    1        4.533   1.226   0.774  0.00  0.00    +0.005 A 
ENDBRANCH  18  19
ENDBRANCH  17  18
ENDBRANCH  15  17
ENDBRANCH   2  15
TORSDOF 6