REMARK  Name = BDB014656
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1       -0.013   0.820   0.856  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1       -0.427  -0.298   0.560  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.009  -0.971  -0.574  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1       -0.593  -1.727  -0.915  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1        0.791  -0.311  -1.593  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1        1.634  -1.310  -2.392  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1        0.728  -2.245  -3.015  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1        1.264  -2.836  -3.574  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1        2.682  -2.102  -1.566  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1        3.840  -1.429  -0.971  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1        3.579  -0.880   0.369  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1        4.781  -0.186   0.979  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1        5.856   0.242   0.180  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1        6.941   0.906   0.769  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1        6.947   1.169   2.138  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1        5.873   0.766   2.929  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1        5.870  -0.071  -1.294  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1        4.794   0.095   2.353  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1        4.480  -0.435  -1.833  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1       -1.409  -1.104   1.418  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1       -2.082  -0.276   2.368  0.00  0.00    -0.482 OA
BRANCH  21  22
ATOM     22  C   LIG    1       -3.417  -0.580   2.406  0.00  0.00    +0.126 A 
ATOM     23  C   LIG    1       -4.323   0.001   1.501  0.00  0.00    +0.011 A 
ATOM     24  C   LIG    1       -5.670  -0.395   1.588  0.00  0.00    +0.009 A 
ATOM     25  C   LIG    1       -6.097  -1.292   2.572  0.00  0.00    +0.001 A 
ATOM     26  C   LIG    1       -5.187  -1.816   3.486  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1       -3.844  -1.459   3.405  0.00  0.00    +0.046 A 
BRANCH  23  28
ATOM     28  C   LIG    1       -3.849   0.991   0.448  0.00  0.00    +0.087 C 
ATOM     29  N   LIG    1       -3.686   0.304  -0.850  0.00  0.00    -0.309 NA
ATOM     30  H   LIG    1       -4.606  -0.001  -1.166  0.00  0.00    +0.123 HD
ATOM     31  C   LIG    1       -3.113   1.210  -1.848  0.00  0.00    +0.081 C 
ATOM     32  C   LIG    1       -3.976   2.452  -2.063  0.00  0.00    +0.015 C 
ATOM     33  C   LIG    1       -4.223   3.186  -0.749  0.00  0.00    +0.003 C 
ATOM     34  C   LIG    1       -4.765   2.225   0.307  0.00  0.00    +0.023 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9