REMARK  Name = BDB044063
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        7.014   0.523  -0.070  0.00  0.00    +0.079 A 
ATOM      2  C   LIG    1        5.993  -0.370   0.199  0.00  0.00    +0.152 A 
ATOM      3  O   LIG    1        4.640  -0.148   0.071  0.00  0.00    -0.451 OA
ATOM      4  C   LIG    1        4.013  -1.333   0.427  0.00  0.00    +0.176 C 
ATOM      5  C   LIG    1        5.015  -2.362   0.805  0.00  0.00    +0.231 C 
ATOM      6  O   LIG    1        4.846  -3.505   1.167  0.00  0.00    -0.283 OA
ATOM      7  C   LIG    1        2.693  -1.564   0.458  0.00  0.00    +0.058 C 
ATOM      8  C   LIG    1        6.282  -1.664   0.630  0.00  0.00    +0.068 A 
ATOM      9  C   LIG    1        7.571  -2.124   0.824  0.00  0.00    +0.015 A 
ATOM     10  C   LIG    1        8.610  -1.228   0.571  0.00  0.00    +0.002 A 
ATOM     11  C   LIG    1        8.337   0.083   0.129  0.00  0.00    +0.017 A 
ENDROOT
BRANCH   7  12
ATOM     12  C   LIG    1        1.620  -0.614   0.126  0.00  0.00    -0.021 A 
ATOM     13  C   LIG    1        0.376  -0.768   0.753  0.00  0.00    +0.011 A 
ATOM     14  C   LIG    1       -0.696   0.085   0.457  0.00  0.00    +0.046 A 
ATOM     15  C   LIG    1       -0.543   1.104  -0.480  0.00  0.00    +0.121 A 
ATOM     16  C   LIG    1        0.686   1.248  -1.124  0.00  0.00    +0.046 A 
ATOM     17  C   LIG    1        1.758   0.397  -0.829  0.00  0.00    +0.011 A 
BRANCH  15  18
ATOM     18  O   LIG    1       -1.498   1.999  -0.871  0.00  0.00    -0.492 OA
BRANCH  18  19
ATOM     19  C   LIG    1       -2.725   2.055  -0.144  0.00  0.00    +0.230 C 
BRANCH  19  20
ATOM     20  C   LIG    1       -3.762   1.119  -0.763  0.00  0.00    +0.056 C 
BRANCH  20  21
ATOM     21  C   LIG    1       -5.084   1.181   0.008  0.00  0.00    +0.088 C 
BRANCH  21  22
ATOM     22  N   LIG    1       -6.148   0.379  -0.612  0.00  0.00    -0.298 NA
ATOM     23  C   LIG    1       -5.814  -1.062  -0.659  0.00  0.00    +0.112 C 
ATOM     24  C   LIG    1       -7.070  -1.946  -0.724  0.00  0.00    +0.175 C 
ATOM     25  O   LIG    1       -7.888  -1.824   0.448  0.00  0.00    -0.377 OA
ATOM     26  C   LIG    1       -7.815  -0.526   1.051  0.00  0.00    +0.175 C 
ATOM     27  C   LIG    1       -7.453   0.587   0.056  0.00  0.00    +0.112 C 
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH  19  20
ENDBRANCH  18  19
ENDBRANCH  15  18
ENDBRANCH   7  12
BRANCH   1  31
ATOM     28  N   LIG    1        7.649   2.507  -1.322  0.00  0.00    -0.325 N 
ATOM     29  H   LIG    1        8.374   1.991  -1.800  0.00  0.00    +0.145 HD
ATOM     30  H   LIG    1        7.373   3.396  -1.722  0.00  0.00    +0.145 HD
ATOM     31  C   LIG    1        6.714   1.899  -0.529  0.00  0.00    +0.245 C 
ATOM     32  O   LIG    1        5.675   2.474  -0.238  0.00  0.00    -0.270 OA
ENDBRANCH   1  31
TORSDOF 7