REMARK  Name = BDB053748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.834  -0.403  -0.527  0.00  0.00    +0.217 A 
ATOM      2  N   LIG    1       -1.519  -1.605  -0.632  0.00  0.00    -0.306 N 
ATOM      3  C   LIG    1       -0.786  -2.510  -1.377  0.00  0.00    +0.071 A 
ATOM      4  C   LIG    1        0.369  -1.849  -1.788  0.00  0.00    +0.105 A 
ATOM      5  N   LIG    1        1.326  -2.436  -2.553  0.00  0.00    -0.253 NA
ATOM      6  C   LIG    1        1.080  -3.711  -2.906  0.00  0.00    +0.111 A 
ATOM      7  C   LIG    1       -0.039  -4.442  -2.542  0.00  0.00    +0.022 A 
ATOM      8  C   LIG    1       -1.014  -3.841  -1.752  0.00  0.00    +0.029 A 
ATOM      9  C   LIG    1        0.339  -0.530  -1.267  0.00  0.00    +0.124 A 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1        1.316   0.505  -1.541  0.00  0.00    +0.254 C 
ATOM     11  N   LIG    1        2.496   0.496  -0.802  0.00  0.00    -0.295 N 
ATOM     12  C   LIG    1        3.426   1.609  -0.974  0.00  0.00    +0.126 C 
ATOM     13  C   LIG    1        4.355   1.791   0.249  0.00  0.00    +0.068 C 
ATOM     14  C   LIG    1        5.312   2.961   0.028  0.00  0.00    +0.025 C 
ATOM     15  N   LIG    1        5.124   0.582   0.614  0.00  0.00    -0.311 NA
ATOM     16  H   LIG    1        6.037   0.592   0.159  0.00  0.00    +0.122 HD
ATOM     17  C   LIG    1        4.429  -0.662   0.235  0.00  0.00    +0.100 C 
ATOM     18  C   LIG    1        2.898  -0.542   0.151  0.00  0.00    +0.123 C 
ATOM     19  O   LIG    1        1.092   1.363  -2.395  0.00  0.00    -0.270 OA
ENDBRANCH   9  10
BRANCH   2  20
ATOM     20  C   LIG    1       -2.834  -1.882  -0.046  0.00  0.00    +0.091 C 
ATOM     21  C   LIG    1       -3.956  -1.025  -0.667  0.00  0.00    +0.025 C 
ATOM     22  C   LIG    1       -5.128  -0.789   0.288  0.00  0.00    +0.002 C 
ATOM     23  C   LIG    1       -5.373  -1.992   1.189  0.00  0.00    +0.000 C 
ATOM     24  C   LIG    1       -4.163  -2.315   2.068  0.00  0.00    +0.002 C 
ATOM     25  C   LIG    1       -2.834  -1.823   1.488  0.00  0.00    +0.025 C 
ENDBRANCH   2  20
BRANCH   1  26
ATOM     26  O   LIG    1       -1.391   0.587   0.189  0.00  0.00    -0.438 OA
BRANCH  26  29
ATOM     27  C   LIG    1       -1.676   2.924  -1.423  0.00  0.00    +0.047 C 
ATOM     28  C   LIG    1       -0.782   2.866  -0.217  0.00  0.00    -0.008 A 
ATOM     29  C   LIG    1       -0.667   1.697   0.554  0.00  0.00    +0.136 A 
ATOM     30  C   LIG    1        0.091   1.677   1.738  0.00  0.00    -0.008 A 
ATOM     31  C   LIG    1        0.109   0.481   2.646  0.00  0.00    +0.047 C 
ATOM     32  C   LIG    1        0.786   2.836   2.111  0.00  0.00    +0.007 A 
ATOM     33  C   LIG    1        0.715   3.988   1.330  0.00  0.00    +0.001 A 
ATOM     34  C   LIG    1       -0.073   4.008   0.180  0.00  0.00    +0.007 A 
ENDBRANCH  26  29
ENDBRANCH   1  26
TORSDOF 4