REMARK  Name = BDB060088
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.850  -0.112  -0.530  0.00  0.00    +0.133 A 
ATOM      2  C   LIG    1        0.981  -0.718   0.411  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1        1.306  -2.072   0.973  0.00  0.00    +0.050 C 
ATOM      4  C   LIG    1       -0.143   0.059   0.783  0.00  0.00    +0.075 A 
ATOM      5  C   LIG    1       -0.423   1.298   0.203  0.00  0.00    +0.090 A 
ATOM      6  N   LIG    1       -1.580   1.836   0.699  0.00  0.00    -0.229 NA
ATOM      7  C   LIG    1       -2.043   0.959   1.565  0.00  0.00    +0.148 A 
ATOM      8  C   LIG    1        0.433   1.837  -0.766  0.00  0.00    +0.033 A 
ATOM      9  N   LIG    1       -1.175  -0.107   1.690  0.00  0.00    -0.328 N 
ATOM     10  C   LIG    1       -1.321  -1.196   2.626  0.00  0.00    +0.150 C 
ATOM     11  C   LIG    1        1.574   1.122  -1.127  0.00  0.00    +0.049 A 
ENDROOT
BRANCH   1  12
ATOM     12  O   LIG    1        2.974  -0.815  -0.922  0.00  0.00    -0.454 OA
BRANCH  12  18
ATOM     13  C   LIG    1        8.085   1.467  -0.404  0.00  0.00    +0.065 C 
ATOM     14  C   LIG    1        6.709   0.880  -0.502  0.00  0.00    +0.039 A 
ATOM     15  N   LIG    1        6.427   0.141  -1.601  0.00  0.00    -0.253 NA
ATOM     16  C   LIG    1        5.183  -0.397  -1.707  0.00  0.00    +0.081 A 
ATOM     17  C   LIG    1        4.909  -1.214  -2.935  0.00  0.00    +0.069 C 
ATOM     18  C   LIG    1        4.195  -0.204  -0.741  0.00  0.00    +0.149 A 
ATOM     19  C   LIG    1        4.512   0.543   0.393  0.00  0.00    +0.050 A 
ATOM     20  C   LIG    1        5.783   1.099   0.512  0.00  0.00    +0.026 A 
ENDBRANCH  12  18
ENDBRANCH   1  12
BRANCH   7  21
ATOM     21  C   LIG    1       -3.328   1.109   2.313  0.00  0.00    +0.303 C 
BRANCH  21  22
ATOM     22  O   LIG    1       -4.118  -0.075   2.159  0.00  0.00    -0.484 OA
BRANCH  22  23
ATOM     23  C   LIG    1       -4.964  -0.158   1.088  0.00  0.00    +0.122 A 
ATOM     24  C   LIG    1       -4.936   0.645  -0.052  0.00  0.00    +0.060 A 
ATOM     25  C   LIG    1       -5.876   0.437  -1.069  0.00  0.00    +0.062 A 
ATOM     26  C   LIG    1       -6.821  -0.592  -0.973  0.00  0.00    +0.015 A 
ATOM     27  C   LIG    1       -6.838  -1.403   0.159  0.00  0.00    +0.004 A 
ATOM     28  C   LIG    1       -5.913  -1.183   1.182  0.00  0.00    +0.046 A 
BRANCH  25  29
ATOM     29  C   LIG    1       -5.837   1.306  -2.265  0.00  0.00    +0.337 C 
ATOM     30  O   LIG    1       -4.813   1.594  -2.856  0.00  0.00    -0.245 OA
BRANCH  29  31
ATOM     31  O   LIG    1       -7.059   1.772  -2.603  0.00  0.00    -0.477 OA
ATOM     32  H   LIG    1       -7.756   1.585  -1.946  0.00  0.00    +0.295 HD
ENDBRANCH  29  31
ENDBRANCH  25  29
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH   7  21
TORSDOF 7