REMARK  Name = BDB007045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.448  -0.012  -1.511  0.00  0.00    +0.136 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.090   1.304  -1.074  0.00  0.00    +0.021 A 
ATOM      3  C   LIG    1       -0.505   2.531  -1.428  0.00  0.00    +0.148 A 
ATOM      4  C   LIG    1       -1.024   3.769  -1.047  0.00  0.00    +0.113 A 
ATOM      5  C   LIG    1       -2.198   3.784  -0.273  0.00  0.00    +0.004 A 
ATOM      6  C   LIG    1       -2.716   5.030   0.107  0.00  0.00    +0.011 A 
ATOM      7  C   LIG    1       -2.067   6.196  -0.284  0.00  0.00    +0.020 A 
ATOM      8  C   LIG    1       -0.918   6.078  -1.044  0.00  0.00    +0.111 A 
ATOM      9  C   LIG    1       -2.812   2.576   0.092  0.00  0.00    +0.010 A 
ATOM     10  N   LIG    1       -0.386   4.897  -1.430  0.00  0.00    -0.251 NA
ATOM     11  C   LIG    1       -2.263   1.353  -0.305  0.00  0.00    +0.010 A 
BRANCH   3  12
ATOM     12  O   LIG    1        0.643   2.533  -2.193  0.00  0.00    -0.504 OA
ATOM     13  H   LIG    1        0.861   3.486  -2.294  0.00  0.00    +0.292 HD
ENDBRANCH   3  12
ENDBRANCH   1   2
BRANCH   1  17
ATOM     14  C   LIG    1        3.243  -1.226   0.491  0.00  0.00    +0.161 A 
ATOM     15  C   LIG    1        2.866  -1.768  -0.743  0.00  0.00    +0.159 A 
ATOM     16  C   LIG    1        1.691  -1.364  -1.382  0.00  0.00    +0.055 A 
ATOM     17  C   LIG    1        0.845  -0.409  -0.790  0.00  0.00    -0.019 A 
ATOM     18  C   LIG    1        1.224   0.126   0.452  0.00  0.00    +0.009 A 
ATOM     19  C   LIG    1        2.410  -0.276   1.083  0.00  0.00    +0.050 A 
BRANCH  14  21
ATOM     20  C   LIG    1        4.851  -1.106   2.245  0.00  0.00    +0.277 C 
ATOM     21  O   LIG    1        4.415  -1.690   1.027  0.00  0.00    -0.491 OA
ENDBRANCH  14  21
BRANCH  15  22
ATOM     22  O   LIG    1        3.665  -2.713  -1.333  0.00  0.00    -0.503 OA
ATOM     23  H   LIG    1        3.219  -3.043  -2.128  0.00  0.00    +0.292 HD
ENDBRANCH  15  22
ENDBRANCH   1  17
BRANCH   1  24
ATOM     24  N   LIG    1       -1.461  -1.083  -1.605  0.00  0.00    -0.318 N 
ATOM     25  H   LIG    1       -1.504  -1.438  -2.558  0.00  0.00    +0.148 HD
BRANCH  24  26
ATOM     26  C   LIG    1       -1.410  -2.225  -0.828  0.00  0.00    +0.120 A 
ATOM     27  N   LIG    1       -1.454  -3.377  -1.525  0.00  0.00    -0.240 NA
ATOM     28  C   LIG    1       -1.405  -4.533  -0.827  0.00  0.00    +0.113 A 
ATOM     29  C   LIG    1       -1.330  -4.603   0.553  0.00  0.00    +0.023 A 
ATOM     30  C   LIG    1       -1.321  -3.411   1.272  0.00  0.00    -0.046 A 
ATOM     31  C   LIG    1       -1.206  -3.412   2.765  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1       -1.361  -2.207   0.562  0.00  0.00    +0.046 A 
ENDBRANCH  24  26
ENDBRANCH   1  24
TORSDOF 7