REMARK  Name = BDB001986
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.022  -0.674   0.637  0.00  0.00    +0.061 A 
ATOM      2  C   LIG    1        0.613  -1.864   1.277  0.00  0.00    +0.001 A 
ATOM      3  C   LIG    1        1.871  -2.304   0.849  0.00  0.00    +0.048 A 
ATOM      4  C   LIG    1        2.494  -3.416   1.446  0.00  0.00    +0.014 A 
ATOM      5  C   LIG    1        1.862  -4.109   2.474  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1        0.606  -3.699   2.898  0.00  0.00    +0.001 A 
ATOM      7  C   LIG    1        2.554  -1.633  -0.286  0.00  0.00    +0.266 A 
ATOM      8  O   LIG    1        3.633  -2.102  -0.650  0.00  0.00    -0.267 OA
ATOM      9  N   LIG    1        1.889  -0.546  -0.901  0.00  0.00    -0.247 N 
ATOM     10  C   LIG    1       -0.011  -2.592   2.304  0.00  0.00    +0.009 A 
ATOM     11  C   LIG    1        0.669  -0.086  -0.390  0.00  0.00    +0.210 A 
ENDROOT
BRANCH   9  12
ATOM     12  C   LIG    1        2.475  -0.019  -2.116  0.00  0.00    +0.057 A 
ATOM     13  C   LIG    1        3.858   0.211  -2.214  0.00  0.00    +0.076 A 
ATOM     14  C   LIG    1        4.358   0.730  -3.392  0.00  0.00    +0.168 A 
ATOM     15  O   LIG    1        5.663   1.022  -3.639  0.00  0.00    -0.453 OA
ATOM     16  C   LIG    1        5.585   1.488  -5.002  0.00  0.00    +0.466 C 
ATOM     17  O   LIG    1        4.239   1.518  -5.520  0.00  0.00    -0.453 OA
ATOM     18  C   LIG    1        3.547   1.017  -4.463  0.00  0.00    +0.166 A 
ATOM     19  C   LIG    1        2.190   0.802  -4.417  0.00  0.00    +0.051 A 
ATOM     20  C   LIG    1        1.655   0.279  -3.234  0.00  0.00    +0.030 A 
ENDBRANCH   9  12
BRANCH   1  22
ATOM     21  N   LIG    1       -1.868  -0.237   2.187  0.00  0.00    -0.255 NA
ATOM     22  C   LIG    1       -1.254  -0.015   1.068  0.00  0.00    +0.125 C 
BRANCH  21  27
ATOM     23  C   LIG    1       -6.668   2.733   3.078  0.00  0.00    +0.044 C 
ATOM     24  C   LIG    1       -5.415   1.939   2.852  0.00  0.00    -0.050 A 
ATOM     25  C   LIG    1       -4.189   2.414   3.332  0.00  0.00    +0.005 A 
ATOM     26  C   LIG    1       -3.014   1.690   3.111  0.00  0.00    +0.028 A 
ATOM     27  C   LIG    1       -3.047   0.492   2.396  0.00  0.00    +0.064 A 
ATOM     28  C   LIG    1       -4.270   0.011   1.924  0.00  0.00    +0.028 A 
ATOM     29  C   LIG    1       -5.447   0.733   2.142  0.00  0.00    +0.005 A 
ENDBRANCH  21  27
ENDBRANCH   1  22
BRANCH  11  30
ATOM     30  O   LIG    1        0.189   1.103  -0.916  0.00  0.00    -0.493 OA
ATOM     31  H   LIG    1        0.967   1.614  -1.203  0.00  0.00    +0.294 HD
ENDBRANCH  11  30
TORSDOF 4