REMARK  Name = BDB055775
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        1.244  -1.447  -0.377  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1       -0.030  -1.861  -0.845  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1       -0.155  -2.968  -1.685  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.996  -3.674  -2.057  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1        2.262  -3.281  -1.599  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1        2.381  -2.169  -0.763  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1        4.436   2.266   1.600  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1        3.123   1.668   1.819  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1        2.168   2.016   0.744  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1        1.875   0.873  -0.254  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1        1.315  -0.303   0.454  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1        1.903  -0.549   1.796  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1        3.236   0.205   2.001  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1       -1.115  -1.083  -0.395  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1       -0.820  -0.338   0.235  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1       -2.454  -1.239  -0.664  0.00  0.00    +0.249 C 
ATOM     17  O   LIG    1       -2.982  -2.120  -1.328  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1       -3.317  -0.227  -0.009  0.00  0.00    +0.046 A 
ATOM     19  C   LIG    1       -3.171   1.166  -0.246  0.00  0.00    +0.012 A 
ATOM     20  C   LIG    1       -3.991   2.060   0.475  0.00  0.00    +0.072 A 
ATOM     21  N   LIG    1       -3.915   3.394   0.334  0.00  0.00    -0.255 NA
ATOM     22  C   LIG    1       -3.033   3.898  -0.555  0.00  0.00    +0.111 A 
ATOM     23  C   LIG    1       -2.200   3.119  -1.330  0.00  0.00    +0.020 A 
ATOM     24  C   LIG    1       -4.926   1.548   1.367  0.00  0.00    +0.028 A 
ATOM     25  C   LIG    1       -5.089   0.176   1.569  0.00  0.00    +0.003 A 
ATOM     26  C   LIG    1       -2.273   1.740  -1.175  0.00  0.00    +0.012 A 
ATOM     27  C   LIG    1       -4.284  -0.716   0.877  0.00  0.00    +0.014 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  28
ATOM     28  N   LIG    1        0.882  -4.843  -2.939  0.00  0.00    +0.056 N 
ATOM     29  O   LIG    1        1.911  -5.500  -3.154  0.00  0.00    -0.126 OA
ATOM     30  O   LIG    1       -0.228  -5.103  -3.421  0.00  0.00    -0.126 OA
ENDBRANCH   4  28
TORSDOF 4