REMARK  Name = BDB027579
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.420  -1.169  -2.634  0.00  0.00    +0.247 C 
ATOM      2  N   LIG    1        0.194  -1.326  -2.022  0.00  0.00    -0.296 N 
ATOM      3  C   LIG    1       -0.222  -0.814  -0.722  0.00  0.00    +0.130 C 
ATOM      4  C   LIG    1       -1.761  -0.848  -0.756  0.00  0.00    +0.092 C 
ATOM      5  C   LIG    1       -2.023  -2.037  -1.687  0.00  0.00    +0.043 C 
ATOM      6  C   LIG    1       -0.932  -1.895  -2.737  0.00  0.00    +0.110 C 
ATOM      7  O   LIG    1        1.639  -1.482  -3.800  0.00  0.00    -0.270 OA
ENDROOT
BRANCH   1  12
ATOM      8  C   LIG    1        4.627   0.461  -0.298  0.00  0.00    +0.034 A 
ATOM      9  C   LIG    1        4.149   1.155  -1.421  0.00  0.00    +0.027 A 
ATOM     10  C   LIG    1        3.090   0.653  -2.199  0.00  0.00    -0.037 A 
ATOM     11  C   LIG    1        2.621   1.417  -3.405  0.00  0.00    +0.044 C 
ATOM     12  C   LIG    1        2.518  -0.576  -1.835  0.00  0.00    +0.040 A 
ATOM     13  C   LIG    1        3.001  -1.284  -0.730  0.00  0.00    +0.015 A 
ATOM     14  C   LIG    1        4.045  -0.762   0.039  0.00  0.00    +0.024 A 
BRANCH   8  16
ATOM     15  C   LIG    1        6.292   0.576   1.565  0.00  0.00    +0.241 C 
ATOM     16  N   LIG    1        5.689   1.053   0.419  0.00  0.00    -0.282 N 
ATOM     17  H   LIG    1        6.033   1.926   0.044  0.00  0.00    +0.155 HD
ATOM     18  O   LIG    1        6.006  -0.439   2.187  0.00  0.00    -0.271 OA
BRANCH  15  20
ATOM     19  C   LIG    1        8.090   1.187   3.132  0.00  0.00    +0.013 C 
ATOM     20  C   LIG    1        7.396   1.471   2.022  0.00  0.00    +0.060 C 
ENDBRANCH  15  20
ENDBRANCH   8  16
ENDBRANCH   1  12
BRANCH   4  21
ATOM     21  N   LIG    1       -2.319  -1.054   0.571  0.00  0.00    -0.309 N 
ATOM     22  H   LIG    1       -1.825  -0.606   1.337  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.640  -0.658   0.729  0.00  0.00    +0.216 A 
ATOM     24  N   LIG    1       -3.943  -0.166   1.937  0.00  0.00    -0.215 NA
ATOM     25  C   LIG    1       -5.206   0.226   2.160  0.00  0.00    +0.076 A 
ATOM     26  C   LIG    1       -6.197   0.145   1.180  0.00  0.00    +0.019 A 
ATOM     27  C   LIG    1       -7.518   0.563   1.438  0.00  0.00    +0.011 A 
ATOM     28  C   LIG    1       -7.852   1.068   2.691  0.00  0.00    +0.001 A 
ATOM     29  C   LIG    1       -6.874   1.153   3.677  0.00  0.00    +0.002 A 
ATOM     30  C   LIG    1       -5.773  -0.367  -0.033  0.00  0.00    +0.124 A 
ATOM     31  C   LIG    1       -5.567   0.733   3.403  0.00  0.00    +0.028 A 
ATOM     32  N   LIG    1       -4.511  -0.765  -0.280  0.00  0.00    -0.222 NA
ENDBRANCH  21  23
ENDBRANCH   4  21
TORSDOF 5