REMARK  Name = BDB008759
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.351   0.081  -0.413  0.00  0.00    +0.127 A 
ATOM      2  N   LIG    1       -0.350  -0.809  -0.427  0.00  0.00    -0.224 NA
ATOM      3  C   LIG    1        0.882  -0.379  -0.093  0.00  0.00    +0.116 A 
ATOM      4  C   LIG    1        1.175   0.925   0.266  0.00  0.00    +0.045 A 
ATOM      5  C   LIG    1        0.138   1.860   0.282  0.00  0.00    -0.011 A 
ATOM      6  C   LIG    1       -1.146   1.415  -0.068  0.00  0.00    +0.052 A 
ENDROOT
BRANCH   5   7
ATOM      7  C   LIG    1        0.382   3.260   0.652  0.00  0.00    +0.001 A 
ATOM      8  C   LIG    1        1.000   3.609   1.855  0.00  0.00    +0.123 A 
ATOM      9  N   LIG    1        1.253   4.878   2.258  0.00  0.00    -0.221 NA
ATOM     10  C   LIG    1        0.874   5.864   1.420  0.00  0.00    +0.214 A 
ATOM     11  C   LIG    1        0.254   5.637   0.203  0.00  0.00    +0.068 A 
ATOM     12  C   LIG    1        0.006   4.320  -0.182  0.00  0.00    +0.015 A 
BRANCH  10  13
ATOM     13  O   LIG    1        1.097   7.184   1.756  0.00  0.00    -0.480 OA
ATOM     14  C   LIG    1        1.746   7.337   3.014  0.00  0.00    +0.279 C 
ENDBRANCH  10  13
ENDBRANCH   5   7
BRANCH   1  16
ATOM     15  C   LIG    1       -3.052  -1.576  -1.118  0.00  0.00    +0.235 C 
ATOM     16  N   LIG    1       -2.658  -0.302  -0.743  0.00  0.00    -0.269 N 
ATOM     17  H   LIG    1       -3.368   0.414  -0.699  0.00  0.00    +0.156 HD
ATOM     18  O   LIG    1       -2.334  -2.565  -1.245  0.00  0.00    -0.274 OA
BRANCH  15  19
ATOM     19  C   LIG    1       -4.572  -1.652  -1.412  0.00  0.00    +0.137 C 
ATOM     20  C   LIG    1       -4.833  -1.119  -2.819  0.00  0.00    +0.034 C 
BRANCH  19  22
ATOM     21  C   LIG    1       -5.175  -3.499   0.050  0.00  0.00    +0.101 C 
ATOM     22  N   LIG    1       -5.062  -3.045  -1.333  0.00  0.00    -0.309 NA
ATOM     23  H   LIG    1       -4.359  -3.633  -1.797  0.00  0.00    +0.122 HD
ENDBRANCH  19  22
ENDBRANCH  15  19
ENDBRANCH   1  16
BRANCH   3  24
ATOM     24  C   LIG    1        1.898  -1.380  -0.134  0.00  0.00    -0.041 C 
ATOM     25  C   LIG    1        2.746  -2.230  -0.171  0.00  0.00    -0.060 C 
BRANCH  25  26
ATOM     26  C   LIG    1        3.739  -3.258  -0.222  0.00  0.00    +0.025 A 
ATOM     27  C   LIG    1        3.379  -4.553  -0.601  0.00  0.00    +0.017 A 
ATOM     28  C   LIG    1        4.346  -5.560  -0.653  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1        5.670  -5.272  -0.325  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.031  -3.979   0.054  0.00  0.00    +0.001 A 
ATOM     31  C   LIG    1        5.066  -2.971   0.106  0.00  0.00    +0.017 A 
ENDBRANCH  25  26
ENDBRANCH   3  24
TORSDOF 7