REMARK  Name = BDB055748
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.771   1.525  -0.170  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        0.632   1.743  -0.141  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.151   3.038  -0.172  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.270   4.125  -0.240  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -1.117   3.926  -0.276  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.631   2.629  -0.241  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1  11
ATOM      7  C   LIG    1       -4.080  -2.774  -0.145  0.00  0.00    +0.105 C 
ATOM      8  N   LIG    1       -3.696  -1.481  -0.703  0.00  0.00    -0.302 NA
ATOM      9  C   LIG    1       -3.649  -0.423   0.329  0.00  0.00    +0.103 C 
ATOM     10  C   LIG    1       -2.247  -0.111   0.900  0.00  0.00    +0.120 C 
ATOM     11  N   LIG    1       -1.245   0.187  -0.156  0.00  0.00    -0.326 N 
ATOM     12  C   LIG    1       -1.649  -0.251  -1.519  0.00  0.00    +0.120 C 
ATOM     13  C   LIG    1       -2.416  -1.588  -1.438  0.00  0.00    +0.103 C 
ENDBRANCH   1  11
BRANCH   2  14
ATOM     14  N   LIG    1        1.421   0.577  -0.057  0.00  0.00    -0.280 N 
ATOM     15  H   LIG    1        0.847  -0.262  -0.026  0.00  0.00    +0.155 HD
ATOM     16  C   LIG    1        2.792   0.465  -0.102  0.00  0.00    +0.248 C 
ATOM     17  O   LIG    1        3.589   1.375  -0.290  0.00  0.00    -0.270 OA
BRANCH  16  18
ATOM     18  C   LIG    1        3.317  -0.921   0.056  0.00  0.00    +0.038 A 
ATOM     19  C   LIG    1        4.504  -1.259  -0.605  0.00  0.00    +0.033 A 
ATOM     20  C   LIG    1        5.023  -2.546  -0.476  0.00  0.00    +0.042 A 
ATOM     21 CL   LIG    1        6.473  -2.970  -1.300  0.00  0.00    -0.084 Cl
ATOM     22  C   LIG    1        4.376  -3.496   0.314  0.00  0.00    +0.020 A 
ATOM     23  C   LIG    1        3.203  -3.156   0.989  0.00  0.00    +0.002 A 
ATOM     24  C   LIG    1        2.674  -1.870   0.865  0.00  0.00    +0.013 A 
ENDBRANCH  16  18
ENDBRANCH   2  14
BRANCH   4  25
ATOM     25  N   LIG    1        0.801   5.494  -0.271  0.00  0.00    +0.056 N 
ATOM     26  O   LIG    1        2.011   5.654  -0.068  0.00  0.00    -0.126 OA
ATOM     27  O   LIG    1       -0.001   6.413  -0.493  0.00  0.00    -0.126 OA
ENDBRANCH   4  25
TORSDOF 4