REMARK  Name = BDB050662
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.194   0.399  -0.050  0.00  0.00    +0.030 A 
ATOM      2  C   LIG    1        0.168   1.118  -0.684  0.00  0.00    +0.061 A 
ATOM      3  C   LIG    1       -1.161   0.921  -0.314  0.00  0.00    +0.166 A 
ATOM      4  C   LIG    1       -1.447  -0.019   0.691  0.00  0.00    +0.204 A 
ATOM      5  C   LIG    1       -0.430  -0.727   1.354  0.00  0.00    +0.166 A 
ATOM      6  C   LIG    1        0.896  -0.505   0.982  0.00  0.00    +0.061 A 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1        2.596   0.675  -0.460  0.00  0.00    +0.197 C 
ATOM      8  O   LIG    1        2.881   1.824  -0.788  0.00  0.00    -0.287 OA
BRANCH   7  10
ATOM      9  C   LIG    1        4.917  -0.221  -0.130  0.00  0.00    +0.117 A 
ATOM     10  C   LIG    1        3.578  -0.397  -0.447  0.00  0.00    +0.071 A 
ATOM     11  C   LIG    1        3.437  -1.788  -0.773  0.00  0.00    +0.031 A 
ATOM     12  C   LIG    1        4.692  -2.352  -0.578  0.00  0.00    +0.136 A 
ATOM     13  C   LIG    1        4.990  -3.699  -0.771  0.00  0.00    +0.047 A 
ATOM     14  C   LIG    1        3.943  -4.517  -1.203  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        2.670  -3.993  -1.432  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        2.401  -2.632  -1.227  0.00  0.00    +0.012 A 
ATOM     17  O   LIG    1        5.582  -1.407  -0.184  0.00  0.00    -0.459 OA
BRANCH   9  18
ATOM     18  C   LIG    1        5.736   0.960   0.261  0.00  0.00    +0.075 C 
BRANCH  18  19
ATOM     19  C   LIG    1        6.396   1.604  -0.960  0.00  0.00    +0.007 C 
BRANCH  19  21
ATOM     20  C   LIG    1        8.348   2.686   0.279  0.00  0.00    +0.004 C 
ATOM     21  C   LIG    1        7.146   2.897  -0.630  0.00  0.00    -0.003 C 
ENDBRANCH  19  21
ENDBRANCH  18  19
ENDBRANCH   9  18
ENDBRANCH   7  10
ENDBRANCH   1   7
BRANCH   3  22
ATOM     22  O   LIG    1       -2.239   1.567  -0.870  0.00  0.00    -0.491 OA
ATOM     23  C   LIG    1       -1.946   2.668  -1.727  0.00  0.00    +0.277 C 
ENDBRANCH   3  22
BRANCH   5  24
ATOM     24  O   LIG    1       -0.839  -1.598   2.330  0.00  0.00    -0.491 OA
ATOM     25  C   LIG    1        0.170  -2.295   3.053  0.00  0.00    +0.277 C 
ENDBRANCH   5  24
BRANCH   4  26
ATOM     26  O   LIG    1       -2.752  -0.186   1.095  0.00  0.00    -0.485 OA
BRANCH  26  27
ATOM     27  C   LIG    1       -3.385  -1.208   0.321  0.00  0.00    +0.227 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -4.894  -1.036   0.485  0.00  0.00    +0.023 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -5.320   0.362   0.033  0.00  0.00    -0.073 C 
BRANCH  29  30
ATOM     30  N   LIG    1       -6.835   0.629   0.184  0.00  0.00    +0.374 N 
ATOM     31  C   LIG    1       -7.665  -0.336  -0.647  0.00  0.00    -0.093 C 
ATOM     32  C   LIG    1       -7.263   0.555   1.646  0.00  0.00    -0.093 C 
ATOM     33  C   LIG    1       -7.100   2.052  -0.317  0.00  0.00    -0.093 C 
ENDBRANCH  29  30
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH   4  26
TORSDOF 12