REMARK  Name = BDB052514
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.026  -1.512  -0.829  0.00  0.00    -0.290 NA
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1        0.675  -2.866  -1.300  0.00  0.00    +0.085 C 
BRANCH   2   3
ATOM      3  C   LIG    1        0.982  -3.082  -2.791  0.00  0.00    +0.015 C 
BRANCH   3   5
ATOM      4  C   LIG    1        0.781  -4.678  -4.735  0.00  0.00    +0.004 C 
ATOM      5  C   LIG    1        0.463  -4.441  -3.266  0.00  0.00    -0.002 C 
ENDBRANCH   3   5
ENDBRANCH   2   3
ENDBRANCH   1   2
BRANCH   1   6
ATOM      6  C   LIG    1        0.400  -1.233   0.481  0.00  0.00    +0.120 C 
BRANCH   6   7
ATOM      7  C   LIG    1       -1.096  -1.014   0.396  0.00  0.00    -0.033 A 
ATOM      8  C   LIG    1       -1.618   0.006  -0.411  0.00  0.00    +0.008 A 
ATOM      9  C   LIG    1       -2.997   0.243  -0.470  0.00  0.00    +0.046 A 
ATOM     10  C   LIG    1       -3.873  -0.531   0.284  0.00  0.00    +0.122 A 
ATOM     11  C   LIG    1       -3.357  -1.565   1.072  0.00  0.00    +0.046 A 
ATOM     12  C   LIG    1       -1.982  -1.803   1.137  0.00  0.00    +0.008 A 
BRANCH  10  13
ATOM     13  O   LIG    1       -5.230  -0.412   0.340  0.00  0.00    -0.475 OA
BRANCH  13  14
ATOM     14  C   LIG    1       -5.904   0.796  -0.034  0.00  0.00    +0.200 C 
ATOM     15  C   LIG    1       -7.376   0.525   0.332  0.00  0.00    +0.067 C 
ATOM     16  C   LIG    1       -5.424   1.989   0.812  0.00  0.00    +0.067 C 
BRANCH  14  17
ATOM     17  C   LIG    1       -5.909   1.102  -1.545  0.00  0.00    +0.348 C 
ATOM     18  O   LIG    1       -5.643   0.336  -2.458  0.00  0.00    -0.247 OA
BRANCH  17  19
ATOM     19  O   LIG    1       -6.288   2.367  -1.837  0.00  0.00    -0.478 OA
ATOM     20  H   LIG    1       -6.244   2.405  -2.817  0.00  0.00    +0.295 HD
ENDBRANCH  17  19
ENDBRANCH  14  17
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   6   7
ENDBRANCH   1   6
BRANCH   1  21
ATOM     21  C   LIG    1        2.492  -1.320  -0.763  0.00  0.00    +0.181 C 
BRANCH  21  22
ATOM     22  C   LIG    1        2.853   0.164  -0.542  0.00  0.00    +0.231 C 
ATOM     23  N   LIG    1        3.510   0.377   0.665  0.00  0.00    -0.284 N 
ATOM     24  H   LIG    1        3.738  -0.446   1.202  0.00  0.00    +0.155 HD
ATOM     25  O   LIG    1        2.567   1.022  -1.373  0.00  0.00    -0.274 OA
BRANCH  23  26
ATOM     26  C   LIG    1        3.905   1.612   1.237  0.00  0.00    +0.036 A 
ATOM     27  C   LIG    1        4.622   1.601   2.454  0.00  0.00    -0.029 A 
ATOM     28  C   LIG    1        4.999   0.325   3.159  0.00  0.00    +0.045 C 
ATOM     29  C   LIG    1        5.006   2.821   3.044  0.00  0.00    +0.008 A 
ATOM     30  C   LIG    1        4.697   4.046   2.444  0.00  0.00    -0.050 A 
ATOM     31  C   LIG    1        5.075   5.336   3.107  0.00  0.00    +0.044 C 
ATOM     32  C   LIG    1        3.974   4.046   1.252  0.00  0.00    +0.005 A 
ATOM     33  C   LIG    1        3.590   2.843   0.653  0.00  0.00    +0.024 A 
ENDBRANCH  23  26
ENDBRANCH  21  22
ENDBRANCH   1  21
TORSDOF 12