REMARK  Name = BDB014672
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        0.561  -2.108   1.749  0.00  0.00    -0.272 OA
ATOM      2  C   LIG    1        1.050  -1.585   0.750  0.00  0.00    +0.251 C 
ATOM      3  N   LIG    1        0.787  -0.282   0.396  0.00  0.00    -0.310 N 
ATOM      4  H   LIG    1        1.187   0.041  -0.481  0.00  0.00    +0.149 HD
ENDROOT
BRANCH   3   5
ATOM      5  C   LIG    1       -0.046   0.622   1.177  0.00  0.00    +0.136 C 
BRANCH   5   6
ATOM      6  C   LIG    1       -1.538   0.227   1.162  0.00  0.00    +0.145 C 
BRANCH   6   7
ATOM      7  O   LIG    1       -1.776  -0.790   2.149  0.00  0.00    -0.389 OA
ATOM      8  H   LIG    1       -1.039  -1.436   2.087  0.00  0.00    +0.210 HD
ENDBRANCH   6   7
BRANCH   6   9
ATOM      9  C   LIG    1       -2.430   1.453   1.486  0.00  0.00    +0.117 C 
BRANCH   9  10
ATOM     10  N   LIG    1       -3.829   1.342   1.013  0.00  0.00    -0.295 NA
ATOM     11  C   LIG    1       -4.525   0.191   1.629  0.00  0.00    +0.120 C 
ATOM     12  C   LIG    1       -6.016   0.152   1.343  0.00  0.00    -0.030 A 
ATOM     13  C   LIG    1       -6.704   1.296   0.903  0.00  0.00    -0.042 A 
ATOM     14  C   LIG    1       -8.083   1.232   0.663  0.00  0.00    +0.004 A 
ATOM     15  C   LIG    1       -8.781   0.045   0.883  0.00  0.00    +0.000 A 
ATOM     16  C   LIG    1       -8.107  -1.085   1.341  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -5.944   2.567   0.632  0.00  0.00    +0.051 C 
ATOM     18  C   LIG    1       -6.733  -1.031   1.573  0.00  0.00    +0.005 A 
ATOM     19  C   LIG    1       -4.569   2.578   1.312  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        1.954  -2.345  -0.220  0.00  0.00    +0.324 C 
BRANCH  20  21
ATOM     21  O   LIG    1        2.521  -1.445  -1.179  0.00  0.00    -0.481 OA
BRANCH  21  22
ATOM     22  C   LIG    1        3.550  -2.017  -1.890  0.00  0.00    +0.142 A 
ATOM     23  C   LIG    1        4.815  -1.390  -1.930  0.00  0.00    +0.072 A 
ATOM     24  C   LIG    1        5.795  -1.995  -2.745  0.00  0.00    +0.027 A 
ATOM     25  C   LIG    1        5.537  -3.147  -3.495  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        4.276  -3.725  -3.460  0.00  0.00    +0.004 A 
ATOM     27  C   LIG    1        3.282  -3.156  -2.668  0.00  0.00    +0.047 A 
BRANCH  23  28
ATOM     28  N   LIG    1        5.183  -0.234  -1.225  0.00  0.00    -0.325 N 
ATOM     29  C   LIG    1        5.576   0.900  -2.095  0.00  0.00    +0.120 C 
ATOM     30  C   LIG    1        5.554   2.252  -1.335  0.00  0.00    +0.100 C 
ATOM     31  N   LIG    1        6.101   2.160   0.031  0.00  0.00    -0.313 NA
ATOM     32  H   LIG    1        7.046   1.779  -0.056  0.00  0.00    +0.122 HD
ATOM     33  C   LIG    1        5.322   1.171   0.813  0.00  0.00    +0.100 C 
ATOM     34  C   LIG    1        4.476   0.155   0.001  0.00  0.00    +0.120 C 
ENDBRANCH  23  28
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   2  20
TORSDOF 9