REMARK  Name = BDB029717
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.893   0.371  -0.230  0.00  0.00    -0.327 N 
ATOM      2  C   LIG    1       -2.159   1.066   0.038  0.00  0.00    +0.140 C 
ATOM      3  C   LIG    1       -3.207   0.132  -0.572  0.00  0.00    +0.129 C 
ATOM      4  C   LIG    1       -4.503   0.863  -0.900  0.00  0.00    +0.246 C 
ATOM      5  O   LIG    1       -4.631   1.820  -1.647  0.00  0.00    -0.273 OA
ATOM      6  N   LIG    1       -5.512   0.281  -0.193  0.00  0.00    -0.238 N 
ATOM      7  H   LIG    1       -6.462   0.609  -0.175  0.00  0.00    +0.159 HD
ATOM      8  C   LIG    1       -5.040  -0.703   0.608  0.00  0.00    +0.307 C 
ATOM      9  O   LIG    1       -5.675  -1.319   1.444  0.00  0.00    -0.252 OA
ATOM     10  N   LIG    1       -3.703  -0.877   0.343  0.00  0.00    -0.284 N 
ATOM     11  H   LIG    1       -3.123  -1.454   0.941  0.00  0.00    +0.151 HD
ATOM     12  C   LIG    1       -2.494  -0.462  -1.773  0.00  0.00    +0.056 C 
ATOM     13  C   LIG    1       -1.060  -0.642  -1.274  0.00  0.00    +0.108 C 
ENDROOT
BRANCH   1  16
ATOM     14  C   LIG    1        2.764   0.443   0.507  0.00  0.00    +0.035 A 
ATOM     15  C   LIG    1        1.508   0.053   0.006  0.00  0.00    +0.046 A 
ATOM     16  C   LIG    1        0.328   0.775   0.263  0.00  0.00    +0.032 A 
ATOM     17  C   LIG    1        0.461   1.916   1.065  0.00  0.00    +0.023 A 
ATOM     18  C   LIG    1        1.700   2.322   1.571  0.00  0.00    +0.004 A 
ATOM     19  C   LIG    1        2.849   1.587   1.292  0.00  0.00    +0.023 A 
BRANCH  14  22
ATOM     20  C   LIG    1        6.092  -1.262  -0.007  0.00  0.00    +0.109 C 
ATOM     21  C   LIG    1        5.192  -0.182   0.542  0.00  0.00    +0.214 C 
ATOM     22  N   LIG    1        3.871  -0.369   0.176  0.00  0.00    -0.286 N 
ATOM     23  H   LIG    1        3.670  -1.174  -0.401  0.00  0.00    +0.155 HD
ATOM     24  O   LIG    1        5.655   0.738   1.207  0.00  0.00    -0.276 OA
ENDBRANCH  14  22
ENDBRANCH   1  16
TORSDOF 2