REMARK  Name = BDB059090
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1        1.013  -0.059  -0.272  0.00  0.00    -0.301 N 
ATOM      2  C   LIG    1        0.311   0.228   0.988  0.00  0.00    +0.109 C 
ATOM      3  C   LIG    1       -1.014   0.928   0.703  0.00  0.00    +0.032 C 
ATOM      4  C   LIG    1       -1.948   0.056  -0.154  0.00  0.00    +0.016 C 
ATOM      5  C   LIG    1       -3.066  -0.604   0.623  0.00  0.00    -0.019 A 
ATOM      6  C   LIG    1       -4.275  -0.440  -0.068  0.00  0.00    +0.034 A 
ATOM      7  C   LIG    1       -5.433  -1.018   0.425  0.00  0.00    +0.023 A 
ATOM      8  C   LIG    1       -5.381  -1.732   1.627  0.00  0.00    +0.002 A 
ATOM      9  C   LIG    1       -4.171  -1.877   2.319  0.00  0.00    +0.000 A 
ATOM     10  N   LIG    1       -4.114   0.295  -1.246  0.00  0.00    -0.327 N 
ATOM     11  C   LIG    1       -2.999  -1.316   1.814  0.00  0.00    +0.006 A 
ATOM     12  C   LIG    1       -2.807   0.951  -1.102  0.00  0.00    +0.117 C 
ATOM     13  C   LIG    1       -1.170  -1.018  -0.941  0.00  0.00    +0.032 C 
ATOM     14  C   LIG    1        0.191  -0.505  -1.399  0.00  0.00    +0.109 C 
ENDROOT
BRANCH   1  24
ATOM     15  O   LIG    1        4.936  -0.278  -2.712  0.00  0.00    -0.267 OA
ATOM     16  C   LIG    1        4.393  -0.242  -1.613  0.00  0.00    +0.256 A 
ATOM     17  C   LIG    1        5.156  -0.232  -0.352  0.00  0.00    +0.038 A 
ATOM     18  C   LIG    1        6.651  -0.286  -0.424  0.00  0.00    +0.042 C 
ATOM     19  C   LIG    1        7.322   0.060   0.907  0.00  0.00    +0.005 C 
ATOM     20  C   LIG    1        6.597  -0.600   2.074  0.00  0.00    +0.006 C 
ATOM     21  C   LIG    1        5.132  -0.159   2.131  0.00  0.00    +0.056 C 
ATOM     22  C   LIG    1        4.445  -0.158   0.785  0.00  0.00    +0.053 A 
ATOM     23  N   LIG    1        3.075  -0.089   0.837  0.00  0.00    -0.220 NA
ATOM     24  C   LIG    1        2.396  -0.122  -0.271  0.00  0.00    +0.198 A 
ATOM     25  N   LIG    1        3.038  -0.206  -1.477  0.00  0.00    -0.295 N 
ATOM     26  H   LIG    1        2.522  -0.176  -2.336  0.00  0.00    +0.172 HD
ENDBRANCH   1  24
BRANCH  10  27
ATOM     27  C   LIG    1       -5.232   0.999  -1.866  0.00  0.00    +0.133 C 
BRANCH  27  28
ATOM     28  C   LIG    1       -5.808   2.141  -1.019  0.00  0.00    +0.174 C 
BRANCH  28  29
ATOM     29  O   LIG    1       -6.842   2.825  -1.728  0.00  0.00    -0.393 OA
ATOM     30  H   LIG    1       -6.433   3.261  -2.494  0.00  0.00    +0.209 HD
ENDBRANCH  28  29
ENDBRANCH  27  28
ENDBRANCH  10  27
TORSDOF 4