REMARK  Name = BDB027530
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.758   0.396  -1.185  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.009   0.542  -0.035  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -1.440   0.667  -0.110  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.904   0.774   1.350  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -0.703   1.453   2.016  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1        0.486   0.813   1.313  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        0.264   0.399  -2.310  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  11
ATOM      8  C   LIG    1        5.022   0.012  -0.915  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.196  -0.825  -0.161  0.00  0.00    +0.024 A 
ATOM     10  C   LIG    1        2.803  -0.711  -0.241  0.00  0.00    +0.015 A 
ATOM     11  C   LIG    1        2.228   0.258  -1.065  0.00  0.00    +0.037 A 
ATOM     12  C   LIG    1        3.043   1.081  -1.844  0.00  0.00    +0.015 A 
ATOM     13  C   LIG    1        4.434   0.961  -1.764  0.00  0.00    +0.024 A 
BRANCH   8  15
ATOM     14  C   LIG    1        7.224  -0.866  -0.118  0.00  0.00    +0.241 C 
ATOM     15  N   LIG    1        6.432  -0.042  -0.892  0.00  0.00    -0.282 N 
ATOM     16  H   LIG    1        6.902   0.605  -1.511  0.00  0.00    +0.155 HD
ATOM     17  O   LIG    1        6.853  -1.691   0.705  0.00  0.00    -0.271 OA
BRANCH  14  19
ATOM     18  C   LIG    1        9.606  -1.338   0.287  0.00  0.00    +0.013 C 
ATOM     19  C   LIG    1        8.677  -0.644  -0.383  0.00  0.00    +0.060 C 
ENDBRANCH  14  19
ENDBRANCH   8  15
ENDBRANCH   1  11
BRANCH   4  20
ATOM     20  N   LIG    1       -3.101   1.578   1.539  0.00  0.00    -0.309 N 
ATOM     21  H   LIG    1       -3.051   2.538   1.212  0.00  0.00    +0.149 HD
BRANCH  20  22
ATOM     22  C   LIG    1       -4.259   1.051   0.989  0.00  0.00    +0.216 A 
ATOM     23  N   LIG    1       -4.438  -0.276   0.926  0.00  0.00    -0.214 NA
ATOM     24  C   LIG    1       -5.569  -0.735   0.378  0.00  0.00    +0.076 A 
ATOM     25  C   LIG    1       -6.552   0.119  -0.130  0.00  0.00    +0.021 A 
ATOM     26  C   LIG    1       -7.735  -0.385  -0.702  0.00  0.00    +0.049 A 
ATOM     27  C   LIG    1       -7.924  -1.758  -0.763  0.00  0.00    +0.124 A 
ATOM     28  C   LIG    1       -6.963  -2.626  -0.267  0.00  0.00    +0.040 A 
ATOM     29  F   LIG    1       -9.045  -2.248  -1.305  0.00  0.00    -0.205 F 
ATOM     30  C   LIG    1       -6.264   1.468  -0.022  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.794  -2.106   0.299  0.00  0.00    +0.031 A 
ATOM     32  N   LIG    1       -5.132   1.951   0.525  0.00  0.00    -0.222 NA
ENDBRANCH  20  22
ENDBRANCH   4  20
TORSDOF 5