REMARK  Name = BDB055750
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.802  -1.424  -0.801  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.562  -1.605  -1.147  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        0.979  -2.766  -1.799  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.034  -3.752  -2.111  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.317  -3.588  -1.775  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.731  -2.426  -1.121  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   2   7
ATOM      7  N   LIG    1        1.421  -0.545  -0.790  0.00  0.00    -0.280 N 
ATOM      8  H   LIG    1        0.919   0.211  -0.324  0.00  0.00    +0.155 HD
ATOM      9  C   LIG    1        2.773  -0.427  -1.004  0.00  0.00    +0.250 C 
ATOM     10  O   LIG    1        3.495  -1.227  -1.586  0.00  0.00    -0.270 OA
BRANCH   9  11
ATOM     11  C   LIG    1        3.377   0.845  -0.535  0.00  0.00    +0.055 A 
ATOM     12  C   LIG    1        3.190   1.372   0.748  0.00  0.00    +0.053 A 
ATOM     13 CL   LIG    1        2.273   0.572   1.974  0.00  0.00    -0.083 Cl
ATOM     14  C   LIG    1        3.796   2.586   1.094  0.00  0.00    +0.021 A 
ATOM     15  C   LIG    1        4.594   3.267   0.173  0.00  0.00    +0.001 A 
ATOM     16  C   LIG    1        4.800   2.734  -1.098  0.00  0.00    +0.001 A 
ATOM     17  C   LIG    1        4.198   1.525  -1.450  0.00  0.00    +0.014 A 
ENDBRANCH   9  11
ENDBRANCH   2   7
BRANCH   4  18
ATOM     18  N   LIG    1        0.459  -4.979  -2.798  0.00  0.00    +0.056 N 
ATOM     19  O   LIG    1       -0.400  -5.850  -2.999  0.00  0.00    -0.126 OA
ATOM     20  O   LIG    1        1.646  -5.076  -3.139  0.00  0.00    -0.126 OA
ENDBRANCH   4  18
BRANCH   1  21
ATOM     21  N   LIG    1       -1.174  -0.223  -0.121  0.00  0.00    -0.330 N 
ATOM     22  C   LIG    1       -2.233   0.499  -0.840  0.00  0.00    +0.129 C 
BRANCH  21  23
ATOM     23  C   LIG    1       -1.478  -0.521   1.304  0.00  0.00    +0.120 C 
BRANCH  23  24
ATOM     24  C   LIG    1       -1.604   0.756   2.175  0.00  0.00    +0.102 C 
BRANCH  24  26
ATOM     25  C   LIG    1       -2.756   2.808   2.700  0.00  0.00    +0.104 C 
ATOM     26  N   LIG    1       -2.882   1.497   2.056  0.00  0.00    -0.307 NA
ATOM     27  C   LIG    1       -3.997   0.761   2.654  0.00  0.00    +0.104 C 
ENDBRANCH  24  26
ENDBRANCH  23  24
ENDBRANCH  21  23
ENDBRANCH   1  21
TORSDOF 7