REMARK  Name = BDB029519
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        6.457   1.133  -1.577  0.00  0.00    -0.252 OA
ATOM      2  C   LIG    1        5.655   0.379  -1.057  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1        4.339   0.682  -0.805  0.00  0.00    -0.285 N 
ATOM      4  H   LIG    1        3.975   1.602  -1.022  0.00  0.00    +0.151 HD
ATOM      5  C   LIG    1        3.635  -0.402  -0.146  0.00  0.00    +0.115 C 
ATOM      6  C   LIG    1        2.487  -0.949  -0.988  0.00  0.00    +0.054 C 
ATOM      7  C   LIG    1        1.290  -0.006  -0.982  0.00  0.00    +0.110 C 
ATOM      8  N   LIG    1        0.893   0.375   0.375  0.00  0.00    -0.301 N 
ATOM      9  C   LIG    1       -0.412   0.762   0.720  0.00  0.00    +0.223 C 
ATOM     10  O   LIG    1       -0.618   1.475   1.706  0.00  0.00    -0.275 OA
ATOM     11  C   LIG    1        1.966   0.894   1.224  0.00  0.00    +0.110 C 
ATOM     12  C   LIG    1        3.177  -0.030   1.260  0.00  0.00    +0.054 C 
ATOM     13  C   LIG    1        4.780  -1.429  -0.078  0.00  0.00    +0.244 C 
ATOM     14  O   LIG    1        4.713  -2.554   0.392  0.00  0.00    -0.273 OA
ATOM     15  N   LIG    1        5.895  -0.880  -0.629  0.00  0.00    -0.238 N 
ATOM     16  H   LIG    1        6.787  -1.339  -0.700  0.00  0.00    +0.159 HD
ENDROOT
BRANCH   9  17
ATOM     17  C   LIG    1       -1.578   0.285  -0.166  0.00  0.00    +0.105 C 
ATOM     18  C   LIG    1       -2.841  -0.064   0.623  0.00  0.00    -0.032 A 
ATOM     19  C   LIG    1       -4.120   0.314   0.167  0.00  0.00    -0.043 A 
ATOM     20  C   LIG    1       -5.258  -0.056   0.902  0.00  0.00    +0.004 A 
ATOM     21  C   LIG    1       -5.140  -0.825   2.058  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1       -3.884  -1.231   2.494  0.00  0.00    +0.000 A 
ATOM     23  C   LIG    1       -4.304   1.156  -1.070  0.00  0.00    +0.035 C 
ATOM     24  C   LIG    1       -3.105   1.091  -2.009  0.00  0.00    +0.006 C 
ATOM     25  C   LIG    1       -2.745  -0.860   1.780  0.00  0.00    +0.004 A 
ATOM     26  C   LIG    1       -1.821   1.361  -1.238  0.00  0.00    +0.018 C 
ENDBRANCH   9  17
TORSDOF 1