REMARK  Name = BDB021443
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.136  -3.878  -1.445  0.00  0.00    -0.270 OA
ATOM      2  C   LIG    1       -0.087  -2.681  -1.644  0.00  0.00    +0.250 C 
ATOM      3  N   LIG    1       -1.372  -2.180  -1.476  0.00  0.00    -0.292 N 
ATOM      4  C   LIG    1       -1.724  -0.779  -1.639  0.00  0.00    +0.149 C 
ATOM      5  C   LIG    1       -1.272  -0.287  -2.998  0.00  0.00    +0.248 C 
ATOM      6  O   LIG    1        0.023   0.281  -2.923  0.00  0.00    -0.490 OA
ATOM      7  C   LIG    1        1.069  -0.518  -2.563  0.00  0.00    +0.133 A 
ATOM      8  C   LIG    1        2.292   0.145  -2.796  0.00  0.00    +0.051 A 
ATOM      9  C   LIG    1        3.533  -0.437  -2.512  0.00  0.00    -0.030 A 
ATOM     10  C   LIG    1        3.542  -1.730  -1.999  0.00  0.00    +0.006 A 
ATOM     11  C   LIG    1        2.338  -2.396  -1.755  0.00  0.00    +0.017 A 
ATOM     12  C   LIG    1        1.077  -1.807  -2.017  0.00  0.00    +0.078 A 
ENDROOT
BRANCH   3  13
ATOM     13  C   LIG    1       -2.410  -3.081  -0.958  0.00  0.00    +0.140 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -2.288  -3.417   0.540  0.00  0.00    +0.146 C 
BRANCH  14  15
ATOM     15  O   LIG    1       -3.325  -4.344   0.904  0.00  0.00    -0.389 OA
ATOM     16  H   LIG    1       -3.103  -4.685   1.787  0.00  0.00    +0.210 HD
ENDBRANCH  14  15
BRANCH  14  17
ATOM     17  C   LIG    1       -2.302  -2.186   1.482  0.00  0.00    +0.117 C 
BRANCH  17  18
ATOM     18  N   LIG    1       -3.333  -1.156   1.232  0.00  0.00    -0.295 NA
ATOM     19  C   LIG    1       -3.060   0.030   2.072  0.00  0.00    +0.120 C 
ATOM     20  C   LIG    1       -4.116   1.108   1.964  0.00  0.00    -0.030 A 
ATOM     21  C   LIG    1       -5.413   0.803   1.518  0.00  0.00    -0.042 A 
ATOM     22  C   LIG    1       -6.385   1.810   1.458  0.00  0.00    +0.004 A 
ATOM     23  C   LIG    1       -6.078   3.109   1.863  0.00  0.00    +0.000 A 
ATOM     24  C   LIG    1       -4.800   3.411   2.324  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.734  -0.590   1.043  0.00  0.00    +0.051 C 
ATOM     26  C   LIG    1       -3.824   2.416   2.378  0.00  0.00    +0.005 A 
ATOM     27  C   LIG    1       -4.699  -1.634   1.492  0.00  0.00    +0.089 C 
ENDBRANCH  17  18
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH   3  13
BRANCH   9  28
ATOM     28  C   LIG    1        4.821   0.310  -2.774  0.00  0.00    +0.119 C 
BRANCH  28  29
ATOM     29  N   LIG    1        5.369   1.143  -1.700  0.00  0.00    -0.298 NA
ATOM     30  C   LIG    1        4.543   2.275  -1.284  0.00  0.00    +0.088 C 
ATOM     31  C   LIG    1        3.795   1.825  -0.029  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1        4.588   0.621   0.501  0.00  0.00    +0.007 C 
ATOM     33  C   LIG    1        5.018   0.988   1.921  0.00  0.00    +0.005 C 
ATOM     34  C   LIG    1        5.008   2.510   1.941  0.00  0.00    +0.001 C 
ATOM     35  C   LIG    1        3.789   2.858   1.098  0.00  0.00    +0.005 C 
ATOM     36  C   LIG    1        5.749   0.443  -0.476  0.00  0.00    +0.088 C 
ENDBRANCH  28  29
ENDBRANCH   9  28
TORSDOF 7