REMARK  Name = BDB049174
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.123  -0.559  -1.580  0.00  0.00    +0.037 A 
ATOM      2  C   LIG    1        0.642  -1.056  -0.369  0.00  0.00    +0.015 A 
ATOM      3  C   LIG    1       -0.728  -0.986  -0.068  0.00  0.00    +0.025 A 
ATOM      4  C   LIG    1       -1.661  -0.427  -0.961  0.00  0.00    +0.044 A 
ATOM      5  C   LIG    1       -1.151   0.049  -2.181  0.00  0.00    +0.025 A 
ATOM      6  C   LIG    1        0.216  -0.019  -2.491  0.00  0.00    +0.015 A 
ENDROOT
BRANCH   4   7
ATOM      7  N   LIG    1       -3.061  -0.357  -0.649  0.00  0.00    -0.210 N 
ATOM      8  C   LIG    1       -3.657  -1.003   0.421  0.00  0.00    +0.230 C 
ATOM      9  O   LIG    1       -3.160  -1.730   1.271  0.00  0.00    -0.274 OA
ATOM     10  C   LIG    1       -5.128  -0.701   0.430  0.00  0.00    +0.091 C 
ATOM     11  C   LIG    1       -5.343   0.223  -0.758  0.00  0.00    +0.091 C 
ATOM     12  C   LIG    1       -5.976   1.476  -0.120  0.00  0.00    +0.002 C 
ATOM     13  C   LIG    1       -6.847   0.832   0.966  0.00  0.00    +0.008 C 
ATOM     14  C   LIG    1       -4.964   2.253   0.743  0.00  0.00    +0.004 C 
ATOM     15  C   LIG    1       -4.742   1.318   1.941  0.00  0.00    +0.004 C 
ATOM     16  C   LIG    1       -5.657   0.121   1.620  0.00  0.00    +0.002 C 
ATOM     17  C   LIG    1       -3.978   0.397  -1.361  0.00  0.00    +0.230 C 
ATOM     18  O   LIG    1       -3.803   1.147  -2.313  0.00  0.00    -0.274 OA
ENDBRANCH   4   7
BRANCH   1  20
ATOM     19  O   LIG    1        2.858  -0.714  -3.139  0.00  0.00    -0.270 OA
ATOM     20  C   LIG    1        2.567  -0.616  -1.953  0.00  0.00    +0.248 C 
ATOM     21  N   LIG    1        3.446  -0.520  -0.898  0.00  0.00    -0.280 N 
ATOM     22  H   LIG    1        3.088  -0.326   0.034  0.00  0.00    +0.155 HD
BRANCH  21  23
ATOM     23  C   LIG    1        4.862  -0.572  -0.922  0.00  0.00    +0.060 A 
ATOM     24  C   LIG    1        5.500  -0.385   0.316  0.00  0.00    +0.092 A 
ATOM     25  C   LIG    1        6.910  -0.428   0.358  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1        7.544  -0.239   1.593  0.00  0.00    +0.011 A 
ATOM     27  C   LIG    1        6.785  -0.019   2.735  0.00  0.00    +0.020 A 
ATOM     28  C   LIG    1        5.410   0.006   2.605  0.00  0.00    +0.111 A 
ATOM     29  C   LIG    1        7.649  -0.654  -0.815  0.00  0.00    +0.010 A 
ATOM     30  C   LIG    1        6.996  -0.840  -2.030  0.00  0.00    +0.003 A 
ATOM     31  N   LIG    1        4.760  -0.171   1.433  0.00  0.00    -0.253 NA
ATOM     32  C   LIG    1        5.605  -0.801  -2.085  0.00  0.00    +0.025 A 
ENDBRANCH  21  23
ENDBRANCH   1  20
TORSDOF 3