REMARK  Name = BDB062212
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        2.362  -3.688   0.574  0.00  0.00    -0.268 OA
ATOM      2  C   LIG    1        2.177  -2.490   0.514  0.00  0.00    +0.269 C 
ATOM      3  C   LIG    1        3.158  -1.402   0.255  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1        4.452  -1.658   0.027  0.00  0.00    +0.041 C 
ATOM      5  N   LIG    1        2.518  -0.182   0.325  0.00  0.00    -0.213 NA
ATOM      6  C   LIG    1        1.273  -0.473   0.571  0.00  0.00    +0.192 C 
ATOM      7  N   LIG    1        1.023  -1.801   0.685  0.00  0.00    -0.253 N 
ATOM      8  H   LIG    1        0.150  -2.222   0.951  0.00  0.00    +0.158 HD
ENDROOT
BRANCH   4   9
ATOM      9  C   LIG    1        5.514  -0.670  -0.220  0.00  0.00    -0.019 A 
ATOM     10  C   LIG    1        6.807  -0.948   0.253  0.00  0.00    +0.057 A 
ATOM     11  C   LIG    1        7.810  -0.038  -0.011  0.00  0.00    +0.167 A 
ATOM     12  O   LIG    1        9.108  -0.152   0.381  0.00  0.00    -0.453 OA
ATOM     13  C   LIG    1        9.663   1.062  -0.166  0.00  0.00    +0.466 C 
ATOM     14  O   LIG    1        8.698   1.868  -0.874  0.00  0.00    -0.453 OA
ATOM     15  C   LIG    1        7.578   1.112  -0.726  0.00  0.00    +0.166 A 
ATOM     16  C   LIG    1        6.330   1.415  -1.220  0.00  0.00    +0.050 A 
ATOM     17  C   LIG    1        5.292   0.509  -0.967  0.00  0.00    +0.012 A 
ENDBRANCH   4   9
BRANCH   6  18
ATOM     18  N   LIG    1        0.309   0.469   0.750  0.00  0.00    -0.287 N 
ATOM     19  H   LIG    1        0.667   1.418   0.752  0.00  0.00    +0.155 HD
BRANCH  18  20
ATOM     20  C   LIG    1       -1.065   0.392   0.474  0.00  0.00    +0.033 A 
ATOM     21  C   LIG    1       -1.642  -0.581  -0.341  0.00  0.00    +0.025 A 
ATOM     22  C   LIG    1       -3.031  -0.629  -0.540  0.00  0.00    +0.025 A 
ATOM     23  C   LIG    1       -3.906   0.284   0.065  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -3.311   1.250   0.888  0.00  0.00    +0.025 A 
ATOM     25  C   LIG    1       -1.923   1.306   1.090  0.00  0.00    +0.025 A 
BRANCH  23  26
ATOM     26  N   LIG    1       -5.276   0.233  -0.123  0.00  0.00    -0.327 N 
ATOM     27  C   LIG    1       -6.110   1.437   0.042  0.00  0.00    +0.120 C 
ATOM     28  C   LIG    1       -7.363   1.388  -0.863  0.00  0.00    +0.100 C 
ATOM     29  N   LIG    1       -8.222   0.203  -0.699  0.00  0.00    -0.313 NA
ATOM     30  H   LIG    1       -8.909   0.380   0.034  0.00  0.00    +0.122 HD
ATOM     31  C   LIG    1       -7.432  -0.982  -0.312  0.00  0.00    +0.100 C 
ATOM     32  C   LIG    1       -5.939  -0.944  -0.711  0.00  0.00    +0.120 C 
ENDBRANCH  23  26
ENDBRANCH  18  20
ENDBRANCH   6  18
TORSDOF 4