REMARK  Name = BDB065353
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.635   0.329   0.290  0.00  0.00    +0.004 A 
ATOM      2  C   LIG    1       -2.324  -0.886   0.186  0.00  0.00    +0.010 A 
ATOM      3  C   LIG    1       -3.637  -1.006   0.655  0.00  0.00    +0.006 A 
ATOM      4  C   LIG    1       -4.290   0.087   1.241  0.00  0.00    -0.028 A 
ATOM      5  C   LIG    1       -3.605   1.303   1.345  0.00  0.00    +0.006 A 
ATOM      6  C   LIG    1       -2.293   1.421   0.874  0.00  0.00    +0.010 A 
ENDROOT
BRANCH   1  10
ATOM      7  N   LIG    1        1.708   0.177  -0.988  0.00  0.00    -0.251 N 
ATOM      8  N   LIG    1        1.614   1.482  -0.690  0.00  0.00    -0.065 NA
ATOM      9  N   LIG    1        0.401   1.685  -0.194  0.00  0.00    -0.130 NA
ATOM     10  C   LIG    1       -0.273   0.487  -0.190  0.00  0.00    +0.113 A 
ATOM     11  C   LIG    1        0.555  -0.490  -0.700  0.00  0.00    +0.138 A 
BRANCH   7  12
ATOM     12  C   LIG    1        2.928  -0.358  -1.553  0.00  0.00    +0.145 C 
BRANCH  12  13
ATOM     13  C   LIG    1        3.947  -0.728  -0.477  0.00  0.00    +0.024 C 
BRANCH  13  14
ATOM     14  C   LIG    1        5.238  -1.265  -1.101  0.00  0.00    +0.013 C 
BRANCH  14  15
ATOM     15  C   LIG    1        6.259  -1.705  -0.053  0.00  0.00    +0.120 C 
BRANCH  15  16
ATOM     16  C   LIG    1        6.769  -0.569   0.799  0.00  0.00    +0.307 C 
ATOM     17  O   LIG    1        6.680  -0.542   2.019  0.00  0.00    -0.251 OA
BRANCH  16  18
ATOM     18  O   LIG    1        7.356   0.385   0.026  0.00  0.00    -0.465 OA
BRANCH  18  20
ATOM     19  C   LIG    1        9.296   1.254   1.185  0.00  0.00    +0.048 C 
ATOM     20  C   LIG    1        7.875   1.524   0.728  0.00  0.00    +0.229 C 
ENDBRANCH  18  20
ENDBRANCH  16  18
ENDBRANCH  15  16
ENDBRANCH  14  15
ENDBRANCH  13  14
ENDBRANCH  12  13
ENDBRANCH   7  12
ENDBRANCH   1  10
BRANCH   4  21
ATOM     21  C   LIG    1       -5.715  -0.046   1.731  0.00  0.00    +0.161 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -6.683  -0.063   0.636  0.00  0.00    -0.295 N 
ATOM     23  C   LIG    1       -7.193  -1.292   0.205  0.00  0.00    +0.350 A 
ATOM     24  O   LIG    1       -6.847  -2.348   0.733  0.00  0.00    -0.244 OA
ATOM     25  N   LIG    1       -8.094  -1.295  -0.834  0.00  0.00    -0.178 NA
ATOM     26  C   LIG    1       -8.435  -0.179  -1.397  0.00  0.00    +0.123 A 
ATOM     27  C   LIG    1       -7.906   1.135  -0.985  0.00  0.00    +0.061 A 
ATOM     28  C   LIG    1       -7.044   1.119   0.029  0.00  0.00    +0.094 A 
BRANCH  26  29
ATOM     29  N   LIG    1       -9.329  -0.255  -2.429  0.00  0.00    -0.343 N 
ATOM     30  H   LIG    1       -9.203   0.403  -3.188  0.00  0.00    +0.144 HD
ATOM     31  H   LIG    1       -9.444  -1.211  -2.754  0.00  0.00    +0.144 HD
ENDBRANCH  26  29
ENDBRANCH  21  22
ENDBRANCH   4  21
TORSDOF 11