REMARK  Name = BDB027509
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.361   1.956   0.213  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        1.240   1.346   0.789  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.007   2.112   0.744  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.265   1.222   0.843  0.00  0.00    +0.090 C 
ATOM      5  C   LIG    1       -1.151   0.311   2.075  0.00  0.00    +0.025 C 
ATOM      6  C   LIG    1        0.151  -0.485   2.042  0.00  0.00    +0.021 C 
ATOM      7  C   LIG    1        1.361   0.434   1.929  0.00  0.00    +0.108 C 
ATOM      8  O   LIG    1        2.340   3.082  -0.280  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      9  C   LIG    1        6.093  -0.150  -0.000  0.00  0.00    +0.034 A 
ATOM     10  C   LIG    1        6.040   1.178   0.448  0.00  0.00    +0.024 A 
ATOM     11  C   LIG    1        4.820   1.858   0.522  0.00  0.00    +0.015 A 
ATOM     12  C   LIG    1        3.639   1.208   0.160  0.00  0.00    +0.037 A 
ATOM     13  C   LIG    1        3.685  -0.104  -0.317  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.908  -0.782  -0.386  0.00  0.00    +0.024 A 
BRANCH   9  16
ATOM     15  C   LIG    1        7.656  -2.058  -0.417  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        7.364  -0.762  -0.042  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        8.138  -0.177   0.242  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        6.866  -2.924  -0.768  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        9.600  -3.549  -0.658  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        9.121  -2.337  -0.347  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   9  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.458   2.062   0.953  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -2.373   2.999   0.571  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.607   1.554   0.364  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -3.851   0.237   0.355  0.00  0.00    -0.214 NA
ATOM     25  C   LIG    1       -4.980  -0.193  -0.223  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -5.896   0.677  -0.815  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1       -7.082   0.202  -1.419  0.00  0.00    +0.057 A 
ATOM     28  C   LIG    1       -7.354  -1.163  -1.433  0.00  0.00    +0.121 A 
ATOM     29  C   LIG    1       -6.442  -2.036  -0.843  0.00  0.00    +0.048 A 
ATOM     30  C   LIG    1       -5.544   2.014  -0.756  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.272  -1.549  -0.248  0.00  0.00    +0.032 A 
ATOM     32  N   LIG    1       -4.415   2.470  -0.181  0.00  0.00    -0.222 NA
BRANCH  28  33
ATOM     33  O   LIG    1       -8.454  -1.762  -1.978  0.00  0.00    -0.495 OA
ATOM     34  C   LIG    1       -9.417  -0.914  -2.590  0.00  0.00    +0.277 C 
ENDBRANCH  28  33
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 6