REMARK  Name = BDB046833
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.232  -0.908  -0.710  0.00  0.00    +0.085 C 
ENDROOT
BRANCH   1   2
ATOM      2  N   LIG    1       -0.907   0.159  -1.468  0.00  0.00    -0.298 NA
ATOM      3  C   LIG    1       -2.055  -0.365  -2.232  0.00  0.00    +0.089 C 
ATOM      4  C   LIG    1       -3.222  -0.873  -1.363  0.00  0.00    +0.051 C 
ATOM      5  C   LIG    1       -3.506   0.039  -0.194  0.00  0.00    -0.042 C 
ATOM      6  C   LIG    1       -2.651   1.029   0.121  0.00  0.00    -0.008 C 
ATOM      7  C   LIG    1       -1.361   1.271  -0.614  0.00  0.00    +0.112 C 
BRANCH   5   8
ATOM      8  C   LIG    1       -4.747  -0.164   0.575  0.00  0.00    -0.022 A 
ATOM      9  C   LIG    1       -4.701  -0.311   1.970  0.00  0.00    +0.012 A 
ATOM     10  C   LIG    1       -5.870  -0.515   2.709  0.00  0.00    +0.046 A 
ATOM     11  C   LIG    1       -7.093  -0.571   2.049  0.00  0.00    +0.117 A 
ATOM     12  C   LIG    1       -7.162  -0.427   0.670  0.00  0.00    +0.046 A 
ATOM     13  C   LIG    1       -5.992  -0.225  -0.067  0.00  0.00    +0.012 A 
BRANCH  11  14
ATOM     14  O   LIG    1       -8.259  -0.766   2.727  0.00  0.00    -0.507 OA
ATOM     15  H   LIG    1       -8.057  -0.846   3.674  0.00  0.00    +0.292 HD
ENDBRANCH  11  14
ENDBRANCH   5   8
ENDBRANCH   1   2
BRANCH   1  16
ATOM     16  C   LIG    1        1.178  -0.527  -0.237  0.00  0.00    +0.023 C 
BRANCH  16  17
ATOM     17  C   LIG    1        2.090  -0.095  -1.384  0.00  0.00    +0.075 C 
BRANCH  17  26
ATOM     18  O   LIG    1        6.333   1.458  -2.664  0.00  0.00    -0.267 OA
ATOM     19  C   LIG    1        5.634   1.019  -1.759  0.00  0.00    +0.259 A 
ATOM     20  C   LIG    1        6.152   0.807  -0.397  0.00  0.00    +0.065 A 
ATOM     21  C   LIG    1        5.263   0.303   0.556  0.00  0.00    +0.078 A 
ATOM     22  C   LIG    1        5.728   0.093   1.856  0.00  0.00    +0.028 A 
ATOM     23  C   LIG    1        7.055   0.383   2.192  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        7.930   0.886   1.228  0.00  0.00    +0.001 A 
ATOM     25  N   LIG    1        3.923  -0.000   0.258  0.00  0.00    -0.234 NA
ATOM     26  C   LIG    1        3.509   0.203  -0.951  0.00  0.00    +0.110 A 
ATOM     27  C   LIG    1        7.480   1.101  -0.074  0.00  0.00    +0.015 A 
ATOM     28  N   LIG    1        4.316   0.691  -1.947  0.00  0.00    -0.310 N 
ATOM     29  H   LIG    1        3.955   0.839  -2.879  0.00  0.00    +0.170 HD
ENDBRANCH  17  26
ENDBRANCH  16  17
ENDBRANCH   1  16
TORSDOF 6