REMARK  Name = BDB047319
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.574  -1.239   0.621  0.00  0.00    -0.026 A 
ATOM      2  C   LIG    1        1.313   0.082   0.187  0.00  0.00    +0.034 A 
ATOM      3  C   LIG    1        2.369   1.022   0.158  0.00  0.00    -0.026 A 
ATOM      4  C   LIG    1        3.651   0.651   0.610  0.00  0.00    +0.016 A 
ATOM      5  C   LIG    1        3.905  -0.641   1.071  0.00  0.00    +0.018 A 
ATOM      6  C   LIG    1        2.869  -1.579   1.057  0.00  0.00    +0.016 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        0.009   0.498  -0.176  0.00  0.00    -0.327 N 
ATOM      8  H   LIG    1       -0.419  -0.245  -0.728  0.00  0.00    +0.147 HD
BRANCH   7   9
ATOM      9  CA  LIG    1       -0.880   0.762   0.997  0.00  0.00    +0.210 C 
BRANCH   9  10
ATOM     10  C   LIG    1       -2.327   0.530   0.572  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -2.878   1.200  -0.531  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -4.200   0.970  -0.920  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -5.007   0.064  -0.218  0.00  0.00    -0.045 A 
ATOM     14  C   LIG    1       -4.458  -0.604   0.885  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -3.136  -0.374   1.276  0.00  0.00    +0.006 A 
BRANCH  13  16
ATOM     16  C   LIG    1       -6.447  -0.201  -0.623  0.00  0.00    +0.013 C 
ATOM     17  C   LIG    1       -7.304   1.062  -0.510  0.00  0.00    +0.012 C 
ATOM     18  C   LIG    1       -6.535  -0.797  -2.030  0.00  0.00    +0.012 C 
ENDBRANCH  13  16
ENDBRANCH   9  10
BRANCH   9  19
ATOM     19  C   LIG    1       -0.687   2.178   1.573  0.00  0.00    +0.330 C 
ATOM     20  O   LIG    1       -1.088   3.241   1.120  0.00  0.00    -0.249 OA
BRANCH  19  21
ATOM     21  OXT LIG    1        0.046   2.186   2.714  0.00  0.00    -0.479 OA
ATOM     22  HXT LIG    1        0.116   3.140   2.928  0.00  0.00    +0.295 HD
ENDBRANCH  19  21
ENDBRANCH   9  19
ENDBRANCH   7   9
ENDBRANCH   2   7
BRANCH   5  23
ATOM     23  C   LIG    1        5.253  -1.082   1.549  0.00  0.00    +0.163 C 
ATOM     24  O   LIG    1        5.451  -2.274   1.783  0.00  0.00    -0.292 OA
BRANCH  23  25
ATOM     25  C   LIG    1        6.364  -0.069   1.730  0.00  0.00    +0.076 C 
ATOM     26  C   LIG    1        7.185   0.073   0.464  0.00  0.00    +0.012 C 
ENDBRANCH  23  25
ENDBRANCH   5  23
BRANCH   1  27
ATOM     27  C   LIG    1        0.544  -2.350   0.572  0.00  0.00    +0.037 C 
BRANCH  27  29
ATOM     28  C   LIG    1       -0.536  -4.130  -0.847  0.00  0.00    +0.004 C 
ATOM     29  C   LIG    1        0.517  -3.034  -0.796  0.00  0.00    +0.001 C 
ENDBRANCH  27  29
ENDBRANCH   1  27
BRANCH   3  30
ATOM     30  C   LIG    1        2.199   2.409  -0.432  0.00  0.00    +0.037 C 
BRANCH  30  31
ATOM     31  C   LIG    1        2.154   2.428  -1.964  0.00  0.00    +0.001 C 
ATOM     32  C   LIG    1        3.475   2.036  -2.611  0.00  0.00    +0.004 C 
ENDBRANCH  30  31
ENDBRANCH   3  30
TORSDOF 12