REMARK  Name = BDB044060
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -6.582  -0.051   0.163  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1       -5.660   0.976   0.233  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1       -4.308   0.860   0.466  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1       -3.797   2.150   0.452  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1       -4.873   3.135   0.173  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1       -4.806   4.340   0.070  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1       -2.518   2.502   0.640  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1       -6.058   2.297   0.040  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1       -7.364   2.657  -0.229  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1       -8.307   1.630  -0.299  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1       -7.923   0.288  -0.103  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1       -1.390   1.596   0.901  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1       -0.117   1.967   0.446  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1        1.003   1.160   0.690  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1        0.869  -0.027   1.406  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1       -0.394  -0.396   1.870  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1       -1.513   0.409   1.629  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1        1.866  -0.910   1.710  0.00  0.00    -0.491 OA
BRANCH  18  19
ATOM     19  C   LIG    1        3.213  -0.570   1.371  0.00  0.00    +0.244 C 
BRANCH  19  20
ATOM     20  C   LIG    1        3.554  -1.037  -0.055  0.00  0.00    +0.125 C 
BRANCH  20  21
ATOM     21  N   LIG    1        4.904  -0.652  -0.501  0.00  0.00    -0.299 NA
ATOM     22  C   LIG    1        5.096  -0.941  -1.924  0.00  0.00    +0.084 C 
ATOM     23  C   LIG    1        6.383  -0.279  -2.433  0.00  0.00    +0.015 C 
ATOM     24  C   LIG    1        7.527  -0.322  -1.418  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1        7.307  -1.427  -0.397  0.00  0.00    +0.015 C 
ATOM     26  C   LIG    1        5.960  -1.265   0.324  0.00  0.00    +0.084 C 
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  30
ATOM     27  N   LIG    1       -6.856  -2.422  -0.280  0.00  0.00    -0.325 N 
ATOM     28  H   LIG    1       -7.423  -2.215  -1.089  0.00  0.00    +0.145 HD
ATOM     29  H   LIG    1       -6.483  -3.361  -0.201  0.00  0.00    +0.145 HD
ATOM     30  C   LIG    1       -6.170  -1.453   0.400  0.00  0.00    +0.245 C 
ATOM     31  O   LIG    1       -5.254  -1.743   1.157  0.00  0.00    -0.270 OA
ENDBRANCH   1  30
TORSDOF 6