REMARK  Name = BDB043709
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.961  -0.461   2.291  0.00  0.00    +0.058 A 
ATOM      2  C   LIG    1       -0.396  -0.381   2.691  0.00  0.00    +0.046 A 
ATOM      3  C   LIG    1       -0.695  -0.459   4.056  0.00  0.00    +0.024 A 
ATOM      4  C   LIG    1        0.315  -0.646   5.005  0.00  0.00    +0.002 A 
ATOM      5  C   LIG    1        1.641  -0.765   4.605  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        1.965  -0.676   3.253  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        2.619   0.130   0.579  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        3.103   0.620   1.321  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.340  -0.323   0.847  0.00  0.00    +0.246 C 
ATOM     10  O   LIG    1        0.519  -0.558  -0.036  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        3.018   0.454  -0.777  0.00  0.00    +0.104 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.536   0.436  -0.920  0.00  0.00    +0.019 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.965   0.812  -2.341  0.00  0.00    +0.013 C 
BRANCH  13  14
ATOM     14  C   LIG    1        6.483   0.783  -2.525  0.00  0.00    +0.120 C 
BRANCH  14  16
ATOM     15  O   LIG    1        6.639   2.852  -1.254  0.00  0.00    -0.251 OA
ATOM     16  C   LIG    1        7.187   1.940  -1.851  0.00  0.00    +0.305 C 
BRANCH  16  17
ATOM     17  O   LIG    1        8.532   1.869  -1.983  0.00  0.00    -0.481 OA
ATOM     18  H   LIG    1        8.839   1.095  -2.493  0.00  0.00    +0.295 HD
ENDBRANCH  16  17
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   2  19
ATOM     19  N   LIG    1       -1.402  -0.229   1.702  0.00  0.00    -0.281 N 
ATOM     20  H   LIG    1       -1.052  -0.306   0.746  0.00  0.00    +0.155 HD
ATOM     21  C   LIG    1       -2.768  -0.118   1.871  0.00  0.00    +0.248 C 
ATOM     22  O   LIG    1       -3.374  -0.138   2.936  0.00  0.00    -0.270 OA
BRANCH  21  23
ATOM     23  C   LIG    1       -3.560   0.014   0.610  0.00  0.00    +0.038 A 
ATOM     24  C   LIG    1       -4.882  -0.452   0.607  0.00  0.00    +0.021 A 
ATOM     25  C   LIG    1       -5.681  -0.355  -0.543  0.00  0.00    -0.017 A 
ATOM     26  C   LIG    1       -5.144   0.232  -1.712  0.00  0.00    -0.018 A 
ATOM     27  C   LIG    1       -5.944   0.328  -2.862  0.00  0.00    +0.008 A 
ATOM     28  C   LIG    1       -7.256  -0.148  -2.860  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -7.785  -0.724  -1.709  0.00  0.00    +0.001 A 
ATOM     30  C   LIG    1       -3.825   0.711  -1.696  0.00  0.00    +0.009 A 
ATOM     31  C   LIG    1       -7.003  -0.827  -0.557  0.00  0.00    +0.008 A 
ATOM     32  C   LIG    1       -3.038   0.609  -0.545  0.00  0.00    +0.013 A 
ENDBRANCH  21  23
ENDBRANCH   2  19
TORSDOF 9