REMARK  Name = BDB054427
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.730   1.074  -0.088  0.00  0.00    +0.221 A 
ATOM      2  N   LIG    1        0.385   1.046  -0.159  0.00  0.00    -0.197 NA
ATOM      3  C   LIG    1       -0.310   2.188  -0.329  0.00  0.00    +0.155 A 
ATOM      4  C   LIG    1        0.378   3.383  -0.441  0.00  0.00    +0.184 A 
ATOM      5  C   LIG    1        1.750   3.347  -0.361  0.00  0.00    +0.150 A 
ATOM      6  N   LIG    1        2.439   2.206  -0.178  0.00  0.00    -0.220 NA
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -0.282   4.651  -0.605  0.00  0.00    +0.061 N 
ATOM      8  O   LIG    1        0.298   5.513  -1.279  0.00  0.00    -0.126 OA
ATOM      9  O   LIG    1       -1.368   4.816  -0.028  0.00  0.00    -0.126 OA
ENDBRANCH   4   7
BRANCH   1  10
ATOM     10  N   LIG    1        2.330  -0.169   0.081  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1        1.614  -0.881   0.058  0.00  0.00    +0.155 HD
BRANCH  10  15
ATOM     12  C   LIG    1        6.290  -1.627   0.386  0.00  0.00    +0.059 A 
ATOM     13  C   LIG    1        5.197  -2.496   0.397  0.00  0.00    +0.017 A 
ATOM     14  C   LIG    1        3.897  -1.986   0.292  0.00  0.00    +0.024 A 
ATOM     15  C   LIG    1        3.655  -0.607   0.171  0.00  0.00    +0.034 A 
ATOM     16  C   LIG    1        4.763   0.247   0.166  0.00  0.00    +0.024 A 
ATOM     17  C   LIG    1        6.067  -0.253   0.270  0.00  0.00    +0.017 A 
BRANCH  12  19
ATOM     18  O   LIG    1        8.686  -1.417   0.495  0.00  0.00    -0.245 OA
ATOM     19  C   LIG    1        7.686  -2.112   0.494  0.00  0.00    +0.337 C 
BRANCH  19  20
ATOM     20  O   LIG    1        7.768  -3.450   0.597  0.00  0.00    -0.477 OA
ATOM     21  H   LIG    1        8.732  -3.620   0.657  0.00  0.00    +0.295 HD
ENDBRANCH  19  20
ENDBRANCH  12  19
ENDBRANCH  10  15
ENDBRANCH   1  10
BRANCH   3  22
ATOM     22  N   LIG    1       -1.696   2.120  -0.488  0.00  0.00    -0.321 N 
ATOM     23  H   LIG    1       -2.141   2.907  -0.006  0.00  0.00    +0.148 HD
BRANCH  22  24
ATOM     24  C   LIG    1       -2.474   0.880  -0.325  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -2.369   0.308   1.109  0.00  0.00    +0.029 C 
ATOM     26  C   LIG    1       -3.274  -0.927   1.262  0.00  0.00    -0.006 C 
ATOM     27  C   LIG    1       -2.857  -1.989   0.232  0.00  0.00    +0.038 C 
ATOM     28  C   LIG    1       -3.012  -1.434  -1.196  0.00  0.00    +0.069 C 
ATOM     29  C   LIG    1       -4.475  -1.027  -1.432  0.00  0.00    +0.038 C 
ATOM     30  C   LIG    1       -4.886   0.043  -0.412  0.00  0.00    -0.006 C 
ATOM     31  C   LIG    1       -4.735  -0.522   1.009  0.00  0.00    +0.007 C 
ATOM     32  C   LIG    1       -2.105  -0.202  -1.365  0.00  0.00    +0.060 C 
ATOM     33  C   LIG    1       -3.966   1.264  -0.569  0.00  0.00    +0.029 C 
BRANCH  28  34
ATOM     34  O   LIG    1       -2.630  -2.426  -2.139  0.00  0.00    -0.388 OA
ATOM     35  H   LIG    1       -3.230  -3.185  -2.042  0.00  0.00    +0.210 HD
ENDBRANCH  28  34
ENDBRANCH  22  24
ENDBRANCH   3  22
TORSDOF 8