REMARK  Name = BDB014485
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.626  -3.077  -1.520  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        0.742  -1.898  -1.841  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1       -0.227  -0.946  -1.606  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        0.092   0.019  -1.643  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -1.389  -1.219  -0.775  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.047  -1.124   0.722  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -0.590   0.204   1.041  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -0.266   0.176   1.958  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.239  -1.533   1.626  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.549  -0.925   1.308  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -3.536   0.545   1.468  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -4.906   1.190   1.350  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.083   0.433   1.486  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -7.333   1.061   1.396  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -7.413   2.439   1.201  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -6.249   3.198   1.090  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.991  -1.059   1.660  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -5.002   2.576   1.161  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.606  -1.497   2.160  0.00  0.00    +0.089 C 
ENDBRANCH   9  10
ENDBRANCH   6   9
ENDBRANCH   5   6
ENDBRANCH   3   5
BRANCH   2  20
ATOM     20  C   LIG    1        1.966  -1.364  -2.585  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.131   0.031  -2.296  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.358   0.460  -2.742  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.462   0.573  -1.872  0.00  0.00    +0.072 A 
ATOM     24  C   LIG    1        5.672   1.013  -2.448  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.774   1.344  -3.805  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.659   1.250  -4.631  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.448   0.813  -4.098  0.00  0.00    +0.047 A 
BRANCH  23  28
ATOM     28  N   LIG    1        4.458   0.318  -0.492  0.00  0.00    -0.325 N 
ATOM     29  C   LIG    1        3.196   0.425   0.269  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        3.505   0.466   1.786  0.00  0.00    +0.100 C 
ATOM     31  N   LIG    1        4.289  -0.695   2.258  0.00  0.00    -0.313 NA
ATOM     32  H   LIG    1        4.550  -0.547   3.234  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        5.521  -0.808   1.447  0.00  0.00    +0.100 C 
ATOM     34  C   LIG    1        5.262  -0.853  -0.080  0.00  0.00    +0.120 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9