REMARK  Name = BDB014544
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.390  -1.332  -0.216  0.00  0.00    +0.251 C 
ATOM      2  N   LIG    1       -0.377  -2.201  -0.579  0.00  0.00    -0.310 N 
ATOM      3  H   LIG    1       -0.243  -2.433  -1.556  0.00  0.00    +0.149 HD
ATOM      4  O   LIG    1       -1.509  -0.898   0.927  0.00  0.00    -0.272 OA
ENDROOT
BRANCH   1   5
ATOM      5  C   LIG    1       -2.331  -0.963  -1.369  0.00  0.00    +0.324 C 
BRANCH   5   6
ATOM      6  O   LIG    1       -3.529  -0.320  -0.977  0.00  0.00    -0.482 OA
BRANCH   6   8
ATOM      7  C   LIG    1       -5.690  -0.357  -0.020  0.00  0.00    +0.059 A 
ATOM      8  C   LIG    1       -4.548  -1.068  -0.445  0.00  0.00    +0.132 A 
ATOM      9  C   LIG    1       -4.528  -2.464  -0.324  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -5.634  -3.150   0.187  0.00  0.00    +0.004 A 
ATOM     11  C   LIG    1       -6.773  -2.453   0.576  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1       -6.801  -1.065   0.469  0.00  0.00    +0.015 A 
BRANCH   7  15
ATOM     13  C   LIG    1       -3.757   1.683   1.332  0.00  0.00    +0.150 C 
ATOM     14  N   LIG    1       -4.904   1.994   0.512  0.00  0.00    -0.333 N 
ATOM     15  C   LIG    1       -5.785   1.107  -0.076  0.00  0.00    +0.144 A 
ATOM     16  N   LIG    1       -6.779   1.775  -0.641  0.00  0.00    -0.236 NA
ATOM     17  C   LIG    1       -6.500   3.103  -0.468  0.00  0.00    +0.131 A 
ATOM     18  C   LIG    1       -5.340   3.266   0.246  0.00  0.00    +0.107 A 
ENDBRANCH   7  15
ENDBRANCH   6   8
ENDBRANCH   5   6
ENDBRANCH   1   5
BRANCH   2  19
ATOM     19  C   LIG    1        0.631  -2.613   0.381  0.00  0.00    +0.136 C 
BRANCH  19  20
ATOM     20  C   LIG    1        1.694  -1.532   0.666  0.00  0.00    +0.145 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.358  -1.879   1.891  0.00  0.00    -0.389 OA
ATOM     22  H   LIG    1        1.730  -1.674   2.608  0.00  0.00    +0.210 HD
ENDBRANCH  20  21
BRANCH  20  23
ATOM     23  C   LIG    1        2.729  -1.458  -0.484  0.00  0.00    +0.117 C 
BRANCH  23  24
ATOM     24  N   LIG    1        3.516  -0.205  -0.540  0.00  0.00    -0.295 NA
ATOM     25  C   LIG    1        4.312  -0.004   0.690  0.00  0.00    +0.120 C 
ATOM     26  C   LIG    1        5.319   1.128   0.600  0.00  0.00    -0.030 A 
ATOM     27  C   LIG    1        5.718   1.653  -0.640  0.00  0.00    -0.042 A 
ATOM     28  C   LIG    1        6.665   2.684  -0.691  0.00  0.00    +0.004 A 
ATOM     29  C   LIG    1        7.235   3.175   0.483  0.00  0.00    +0.000 A 
ATOM     30  C   LIG    1        6.859   2.643   1.715  0.00  0.00    +0.000 A 
ATOM     31  C   LIG    1        5.079   1.145  -1.905  0.00  0.00    +0.051 C 
ATOM     32  C   LIG    1        5.908   1.624   1.774  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        4.411  -0.221  -1.710  0.00  0.00    +0.089 C 
ENDBRANCH  23  24
ENDBRANCH  20  23
ENDBRANCH  19  20
ENDBRANCH   2  19
TORSDOF 9