REMARK  Name = BDB055755
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.309   1.439   0.444  0.00  0.00    +0.051 A 
ATOM      2  C   LIG    1        1.070   1.673   0.685  0.00  0.00    +0.057 A 
ATOM      3  C   LIG    1        1.534   2.956   0.980  0.00  0.00    +0.058 A 
ATOM      4  C   LIG    1        0.621   4.016   1.032  0.00  0.00    +0.128 A 
ATOM      5  C   LIG    1       -0.744   3.804   0.793  0.00  0.00    +0.034 A 
ATOM      6  C   LIG    1       -1.203   2.518   0.503  0.00  0.00    +0.027 A 
ENDROOT
BRANCH   1   9
ATOM      7  C   LIG    1       -2.916  -0.663  -0.496  0.00  0.00    +0.075 C 
ATOM      8  C   LIG    1       -1.579  -0.074  -1.017  0.00  0.00    +0.124 C 
ATOM      9  N   LIG    1       -0.726   0.116   0.180  0.00  0.00    -0.327 N 
ATOM     10  C   LIG    1       -1.395  -0.513   1.335  0.00  0.00    +0.107 C 
ATOM     11  C   LIG    1       -2.417  -1.460   0.714  0.00  0.00    +0.039 C 
BRANCH   7  13
ATOM     12  C   LIG    1       -4.034  -0.681  -2.655  0.00  0.00    +0.104 C 
ATOM     13  N   LIG    1       -3.677  -1.470  -1.471  0.00  0.00    -0.304 NA
ATOM     14  C   LIG    1       -4.892  -2.036  -0.879  0.00  0.00    +0.104 C 
ENDBRANCH   7  13
ENDBRANCH   1   9
BRANCH   2  15
ATOM     15  N   LIG    1        1.899   0.536   0.585  0.00  0.00    -0.280 N 
ATOM     16  H   LIG    1        1.372  -0.294   0.312  0.00  0.00    +0.155 HD
ATOM     17  C   LIG    1        3.259   0.443   0.753  0.00  0.00    +0.250 C 
ATOM     18  O   LIG    1        4.011   1.355   1.080  0.00  0.00    -0.270 OA
BRANCH  17  19
ATOM     19  C   LIG    1        3.840  -0.919   0.589  0.00  0.00    +0.055 A 
ATOM     20  C   LIG    1        3.466  -1.831  -0.408  0.00  0.00    +0.053 A 
ATOM     21 CL   LIG    1        2.303  -1.478  -1.637  0.00  0.00    -0.083 Cl
ATOM     22  C   LIG    1        4.073  -3.093  -0.461  0.00  0.00    +0.021 A 
ATOM     23  C   LIG    1        5.057  -3.446   0.463  0.00  0.00    +0.001 A 
ATOM     24  C   LIG    1        5.446  -2.538   1.443  0.00  0.00    +0.001 A 
ATOM     25  C   LIG    1        4.845  -1.280   1.504  0.00  0.00    +0.014 A 
ENDBRANCH  17  19
ENDBRANCH   2  15
BRANCH   4  26
ATOM     26  N   LIG    1        1.093   5.372   1.340  0.00  0.00    +0.056 N 
ATOM     27  O   LIG    1        0.264   6.293   1.291  0.00  0.00    -0.126 OA
ATOM     28  O   LIG    1        2.287   5.522   1.635  0.00  0.00    -0.126 OA
ENDBRANCH   4  26
TORSDOF 5