REMARK  Name = BDB009259
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.188  -1.049   1.377  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1       -0.403  -0.222   0.410  0.00  0.00    +0.017 A 
ATOM      3  C   LIG    1       -1.260   0.824   0.791  0.00  0.00    -0.041 A 
ATOM      4  C   LIG    1       -1.490   1.046   2.156  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -0.916   0.215   3.120  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -0.087  -0.836   2.732  0.00  0.00    +0.013 A 
ENDROOT
BRANCH   1   9
ATOM      7  N   LIG    1        1.808  -2.015  -0.163  0.00  0.00    -0.311 N 
ATOM      8  H   LIG    1        1.891  -1.085  -0.554  0.00  0.00    +0.149 HD
ATOM      9  C   LIG    1        1.093  -2.171   1.006  0.00  0.00    +0.244 C 
ATOM     10  O   LIG    1        1.203  -3.146   1.741  0.00  0.00    -0.270 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.839  -2.965  -0.543  0.00  0.00    +0.109 C 
BRANCH  11  12
ATOM     12  C   LIG    1        4.189  -2.680   0.130  0.00  0.00    +0.054 C 
BRANCH  12  18
ATOM     13  C   LIG    1        6.430   2.407  -1.665  0.00  0.00    +0.044 C 
ATOM     14  C   LIG    1        5.882   1.097  -1.182  0.00  0.00    -0.050 A 
ATOM     15  C   LIG    1        5.393   0.972   0.123  0.00  0.00    +0.007 A 
ATOM     16  C   LIG    1        4.849  -0.238   0.591  0.00  0.00    -0.047 A 
ATOM     17  C   LIG    1        4.373  -0.310   2.017  0.00  0.00    +0.044 C 
ATOM     18  C   LIG    1        4.782  -1.345  -0.280  0.00  0.00    -0.043 A 
ATOM     19  C   LIG    1        5.270  -1.207  -1.592  0.00  0.00    +0.004 A 
ATOM     20  C   LIG    1        5.806   0.000  -2.040  0.00  0.00    +0.003 A 
ENDBRANCH  12  18
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   9
BRANCH   3  21
ATOM     21  C   LIG    1       -1.878   1.718  -0.262  0.00  0.00    +0.092 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.368   1.980  -0.056  0.00  0.00    +0.069 A 
ATOM     23  C   LIG    1       -4.369   0.968  -0.518  0.00  0.00    -0.016 A 
ATOM     24  C   LIG    1       -3.929  -0.321  -1.155  0.00  0.00    +0.037 C 
ATOM     25  C   LIG    1       -5.054  -1.353  -1.285  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.348  -0.703  -1.756  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -6.796   0.391  -0.784  0.00  0.00    +0.041 C 
ATOM     28  C   LIG    1       -5.665   1.275  -0.336  0.00  0.00    +0.023 A 
ATOM     29  C   LIG    1       -6.044   2.548   0.327  0.00  0.00    +0.268 A 
ATOM     30  O   LIG    1       -7.216   2.851   0.524  0.00  0.00    -0.266 OA
ATOM     31  N   LIG    1       -5.008   3.358   0.703  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -5.246   4.235   1.154  0.00  0.00    +0.192 HD
ATOM     33  N   LIG    1       -3.685   3.103   0.518  0.00  0.00    -0.175 NA
ENDBRANCH  21  22
ENDBRANCH   3  21
TORSDOF 6