REMARK  Name = BDB048540
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.749   1.469  -1.274  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.435   0.789  -1.662  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.462   1.512  -2.279  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.349   2.893  -2.456  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.186   3.555  -2.040  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.870   2.848  -1.453  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.981   1.030  -0.214  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.744   0.659  -0.686  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -1.443  -0.309  -0.585  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.486   2.144  -0.281  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1       -3.723  -3.030   2.800  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -4.175  -2.018   1.784  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.327  -0.996   1.310  0.00  0.00    +0.059 A 
ATOM     14 CL   LIG    1       -1.721  -0.872   1.958  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -3.800  -0.073   0.358  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -5.128  -0.149  -0.092  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -5.969  -1.152   0.378  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -5.489  -2.074   1.301  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -6.322  -3.030   1.735  0.00  0.00    -0.205 F 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   5  20
ATOM     20  N   LIG    1        0.076   5.007  -2.232  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1       -0.983   5.560  -1.907  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1        1.056   5.597  -2.713  0.00  0.00    -0.126 OA
ENDBRANCH   5  20
BRANCH   2  23
ATOM     23  N   LIG    1        0.454  -0.626  -1.543  0.00  0.00    -0.341 N 
ATOM     24  H   LIG    1        0.154  -1.005  -2.445  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        1.732  -1.254  -1.157  0.00  0.00    +0.117 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.118  -0.927   0.303  0.00  0.00    +0.103 C 
BRANCH  26  27
ATOM     27  N   LIG    1        3.369  -1.596   0.718  0.00  0.00    -0.301 NA
ATOM     28  C   LIG    1        4.565  -0.907   0.205  0.00  0.00    +0.084 C 
ATOM     29  C   LIG    1        4.873   0.211   1.192  0.00  0.00    +0.017 C 
ATOM     30  C   LIG    1        4.154  -0.179   2.475  0.00  0.00    +0.017 C 
ATOM     31  C   LIG    1        3.539  -1.537   2.180  0.00  0.00    +0.084 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 7