REMARK  Name = BDB013045
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.306  -1.205   0.276  0.00  0.00    +0.045 A 
ATOM      2  C   LIG    1        0.819  -0.055  -0.405  0.00  0.00    +0.173 A 
ATOM      3  N   LIG    1       -0.542   0.058  -0.545  0.00  0.00    -0.253 N 
ATOM      4  C   LIG    1       -0.741   1.191  -1.277  0.00  0.00    +0.232 A 
ATOM      5  N   LIG    1        0.412   1.772  -1.523  0.00  0.00    -0.137 NA
ATOM      6  C   LIG    1       -1.445  -0.879  -0.035  0.00  0.00    +0.203 A 
ATOM      7  N   LIG    1       -0.998  -1.945   0.573  0.00  0.00    -0.223 NA
ATOM      8  N   LIG    1        1.400   0.983  -0.972  0.00  0.00    -0.129 NA
ATOM      9  C   LIG    1        0.370  -2.073   0.722  0.00  0.00    +0.126 A 
ENDROOT
BRANCH   1  12
ATOM     10  C   LIG    1        4.895  -0.733   1.347  0.00  0.00    +0.037 A 
ATOM     11  C   LIG    1        3.537  -0.489   1.127  0.00  0.00    +0.021 A 
ATOM     12  C   LIG    1        2.736  -1.477   0.538  0.00  0.00    -0.012 A 
ATOM     13  C   LIG    1        3.325  -2.703   0.180  0.00  0.00    +0.009 A 
ATOM     14  C   LIG    1        4.681  -2.946   0.421  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1        5.470  -1.961   1.010  0.00  0.00    +0.013 A 
BRANCH  10  18
ATOM     16  C   LIG    1        7.425   2.037   1.845  0.00  0.00    +0.132 C 
ATOM     17  N   LIG    1        6.668   0.974   1.207  0.00  0.00    -0.304 N 
ATOM     18  C   LIG    1        5.716   0.313   1.983  0.00  0.00    +0.246 C 
ATOM     19  O   LIG    1        5.516   0.536   3.174  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        6.641   0.999  -0.251  0.00  0.00    +0.132 C 
ENDBRANCH  10  18
ENDBRANCH   1  12
BRANCH   6  21
ATOM     21  N   LIG    1       -2.803  -0.703  -0.185  0.00  0.00    -0.310 N 
ATOM     22  H   LIG    1       -3.251  -1.593   0.037  0.00  0.00    +0.149 HD
BRANCH  21  23
ATOM     23  C   LIG    1       -3.473   0.330   0.602  0.00  0.00    +0.140 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -4.961   0.213   0.417  0.00  0.00    -0.024 A 
ATOM     25  C   LIG    1       -5.593   0.603  -0.760  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -5.023   1.131  -2.023  0.00  0.00    +0.080 C 
ATOM     27  C   LIG    1       -6.312   1.591  -2.704  0.00  0.00    +0.234 C 
ATOM     28  O   LIG    1       -7.427   0.861  -2.145  0.00  0.00    -0.491 OA
ATOM     29  C   LIG    1       -6.963   0.450  -0.922  0.00  0.00    +0.124 A 
ATOM     30  C   LIG    1       -7.764  -0.093   0.060  0.00  0.00    +0.046 A 
ATOM     31  C   LIG    1       -7.156  -0.486   1.252  0.00  0.00    +0.004 A 
ATOM     32  C   LIG    1       -5.769  -0.337   1.429  0.00  0.00    +0.005 A 
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   6  21
TORSDOF 5