REMARK  Name = BDB055778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.818   1.721   0.209  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.592   1.853   0.321  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.176   3.104   0.523  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.354   4.234   0.603  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.039   4.123   0.485  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.619   2.869   0.288  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -3.733  -3.021  -0.798  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.360  -1.624  -0.586  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -2.807  -1.431   0.774  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.352   0.028   1.021  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.350   0.420  -0.001  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.898   0.269  -1.373  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.366  -1.189  -1.594  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        1.314   0.646   0.226  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.696  -0.148   0.079  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.678   0.459   0.215  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        3.529   1.340   0.232  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.118  -0.965   0.132  0.00  0.00    +0.037 A 
ATOM     19  C   LIG    1        2.374  -2.008   0.700  0.00  0.00    +0.013 A 
ATOM     20  C   LIG    1        2.827  -3.326   0.597  0.00  0.00    +0.001 A 
ATOM     21  C   LIG    1        4.024  -3.605  -0.064  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        4.776  -2.569  -0.616  0.00  0.00    +0.001 A 
ATOM     23  C   LIG    1        4.328  -1.251  -0.514  0.00  0.00    +0.013 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  24
ATOM     24  N   LIG    1        0.953   5.558   0.815  0.00  0.00    +0.056 N 
ATOM     25  O   LIG    1        2.160   5.615   1.085  0.00  0.00    -0.126 OA
ATOM     26  O   LIG    1        0.209   6.545   0.717  0.00  0.00    -0.126 OA
ENDBRANCH   4  24
TORSDOF 4