REMARK  Name = BDB061295
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.465   1.440   0.981  0.00  0.00    -0.026 C 
ATOM      2  C   LIG    1        1.186   1.597  -0.140  0.00  0.00    +0.005 C 
ENDROOT
BRANCH   2   3
ATOM      3  C   LIG    1        1.934   0.528  -0.827  0.00  0.00    -0.003 A 
ATOM      4  C   LIG    1        3.350   0.386  -0.682  0.00  0.00    +0.056 A 
ATOM      5  N   LIG    1        4.006   1.322   0.145  0.00  0.00    -0.339 N 
ATOM      6  H   LIG    1        3.358   1.674   0.848  0.00  0.00    +0.146 HD
ATOM      7  C   LIG    1        5.303   0.986   0.712  0.00  0.00    +0.076 C 
ATOM      8  C   LIG    1        6.348   1.093  -0.376  0.00  0.00    +0.118 C 
ATOM      9  C   LIG    1        6.468  -0.208  -1.099  0.00  0.00    +0.219 C 
ATOM     10  N   LIG    1        5.372  -0.872  -1.544  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        5.648  -1.684  -2.082  0.00  0.00    +0.155 HD
ATOM     12  O   LIG    1        7.580  -0.684  -1.352  0.00  0.00    -0.275 OA
ATOM     13  C   LIG    1        5.608   1.988   1.830  0.00  0.00    +0.028 C 
ATOM     14  C   LIG    1        3.988  -0.615  -1.452  0.00  0.00    +0.055 A 
ATOM     15  C   LIG    1        3.206  -1.492  -2.235  0.00  0.00    +0.025 A 
ATOM     16  C   LIG    1        1.824  -1.366  -2.322  0.00  0.00    +0.002 A 
ATOM     17  C   LIG    1        1.190  -0.347  -1.631  0.00  0.00    +0.010 A 
ENDBRANCH   2   3
BRANCH   1  18
ATOM     18  C   LIG    1        0.298   0.173   1.779  0.00  0.00    +0.029 C 
BRANCH  18  19
ATOM     19  C   LIG    1       -1.008  -0.566   1.482  0.00  0.00    +0.023 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -2.257   0.222   1.893  0.00  0.00    +0.105 C 
BRANCH  20  24
ATOM     21  C   LIG    1       -3.752   0.361  -2.177  0.00  0.00    +0.122 A 
ATOM     22  C   LIG    1       -3.341   0.380  -0.838  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -3.900  -0.476   0.134  0.00  0.00    +0.036 A 
ATOM     24  N   LIG    1       -3.491  -0.458   1.475  0.00  0.00    -0.330 N 
ATOM     25  C   LIG    1       -3.939  -1.560   2.333  0.00  0.00    +0.105 C 
ATOM     26  C   LIG    1       -5.413  -1.843   2.111  0.00  0.00    +0.024 C 
ATOM     27  C   LIG    1       -5.618  -2.278   0.670  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -4.938  -1.336  -0.292  0.00  0.00    -0.026 A 
ATOM     29  C   LIG    1       -5.340  -1.368  -1.638  0.00  0.00    +0.009 A 
ATOM     30  C   LIG    1       -4.747  -0.526  -2.571  0.00  0.00    +0.046 A 
BRANCH  21  32
ATOM     31  C   LIG    1       -2.328   2.157  -2.816  0.00  0.00    +0.277 C 
ATOM     32  O   LIG    1       -3.256   1.144  -3.184  0.00  0.00    -0.495 OA
ENDBRANCH  21  32
ENDBRANCH  20  24
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH   1  18
TORSDOF 6