REMARK  Name = BDB046006
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -5.566   0.118   1.492  0.00  0.00    +0.049 A 
ATOM      2  C   LIG    1       -4.253   0.151   1.038  0.00  0.00    +0.054 A 
ATOM      3  C   LIG    1       -3.543  -0.599  -0.017  0.00  0.00    +0.248 C 
ATOM      4  N   LIG    1       -2.244  -0.111  -0.089  0.00  0.00    -0.290 N 
ATOM      5  C   LIG    1       -1.965   0.843   0.967  0.00  0.00    +0.144 C 
ATOM      6  O   LIG    1       -4.009  -1.500  -0.689  0.00  0.00    -0.270 OA
ATOM      7  C   LIG    1       -3.297   1.005   1.619  0.00  0.00    -0.017 A 
ATOM      8  C   LIG    1       -3.619   1.849   2.670  0.00  0.00    +0.006 A 
ATOM      9  C   LIG    1       -4.926   1.833   3.143  0.00  0.00    +0.001 A 
ATOM     10  C   LIG    1       -5.882   0.982   2.564  0.00  0.00    +0.014 A 
ENDROOT
BRANCH   4  11
ATOM     11  C   LIG    1       -1.201  -0.762  -0.889  0.00  0.00    +0.080 C 
ATOM     12  C   LIG    1       -0.563  -1.924  -0.114  0.00  0.00    +0.041 C 
ATOM     13  C   LIG    1        0.783  -2.308  -0.710  0.00  0.00    +0.109 C 
ATOM     14  N   LIG    1        1.733  -1.190  -0.716  0.00  0.00    -0.301 N 
ATOM     15  C   LIG    1        3.081  -1.515  -0.796  0.00  0.00    +0.219 C 
ATOM     16  O   LIG    1        3.439  -2.694  -0.902  0.00  0.00    -0.275 OA
ATOM     17  C   LIG    1        1.159   0.155  -0.690  0.00  0.00    +0.109 C 
ATOM     18  C   LIG    1       -0.161   0.219  -1.451  0.00  0.00    +0.041 C 
BRANCH  15  19
ATOM     19  C   LIG    1        4.167  -0.435  -0.771  0.00  0.00    +0.075 C 
ATOM     20  C   LIG    1        4.234   0.383  -2.070  0.00  0.00    +0.013 C 
ATOM     21  C   LIG    1        4.627   1.842  -1.835  0.00  0.00    +0.001 C 
ATOM     22  C   LIG    1        5.748   1.955  -0.809  0.00  0.00    +0.000 C 
ATOM     23  C   LIG    1        5.377   1.353   0.549  0.00  0.00    +0.001 C 
ATOM     24  C   LIG    1        4.167   0.417   0.500  0.00  0.00    +0.013 C 
ENDBRANCH  15  19
ENDBRANCH   4  11
BRANCH   1  28
ATOM     25  N   LIG    1       -6.527  -1.466  -0.146  0.00  0.00    -0.325 N 
ATOM     26  H   LIG    1       -5.624  -1.637  -0.587  0.00  0.00    +0.145 HD
ATOM     27  H   LIG    1       -7.284  -2.081  -0.409  0.00  0.00    +0.145 HD
ATOM     28  C   LIG    1       -6.689  -0.717   0.977  0.00  0.00    +0.242 C 
ATOM     29  O   LIG    1       -7.774  -0.729   1.552  0.00  0.00    -0.270 OA
ENDBRANCH   1  28
TORSDOF 3