REMARK  Name = BDB057058
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  N   LIG    1       -0.516   0.471  -0.898  0.00  0.00    -0.278 N 
ATOM      2  C   LIG    1       -1.027  -0.746  -0.430  0.00  0.00    +0.307 C 
ATOM      3  N   LIG    1       -2.387  -0.899  -0.609  0.00  0.00    -0.269 N 
ATOM      4  H   LIG    1       -2.752  -0.486  -1.452  0.00  0.00    +0.156 HD
ATOM      5  O   LIG    1       -0.316  -1.608   0.076  0.00  0.00    -0.252 OA
ENDROOT
BRANCH   1   9
ATOM      6  N   LIG    1        3.782   0.075  -0.492  0.00  0.00    -0.302 NA
ATOM      7  C   LIG    1        3.085   1.020   0.394  0.00  0.00    +0.086 C 
ATOM      8  C   LIG    1        1.590   0.709   0.496  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1        0.950   0.691  -0.896  0.00  0.00    +0.080 C 
ATOM     10  C   LIG    1        1.704  -0.282  -1.809  0.00  0.00    +0.038 C 
ATOM     11  C   LIG    1        3.193   0.064  -1.840  0.00  0.00    +0.086 C 
BRANCH   6  12
ATOM     12  C   LIG    1        5.227   0.348  -0.572  0.00  0.00    +0.084 C 
BRANCH  12  14
ATOM     13  C   LIG    1        5.848  -1.313   1.264  0.00  0.00    +0.005 C 
ATOM     14  C   LIG    1        6.000   0.105   0.733  0.00  0.00    +0.012 C 
ENDBRANCH  12  14
ENDBRANCH   6  12
ENDBRANCH   1   9
BRANCH   3  15
ATOM     15  C   LIG    1       -3.207  -1.879  -0.008  0.00  0.00    +0.035 A 
ATOM     16  C   LIG    1       -4.478  -2.086  -0.558  0.00  0.00    +0.035 A 
ATOM     17  C   LIG    1       -5.362  -3.031  -0.007  0.00  0.00    +0.057 A 
ATOM     18  C   LIG    1       -4.963  -3.753   1.126  0.00  0.00    +0.012 A 
ATOM     19  C   LIG    1       -3.704  -3.541   1.686  0.00  0.00    +0.002 A 
ATOM     20  C   LIG    1       -2.832  -2.606   1.123  0.00  0.00    +0.023 A 
BRANCH  17  21
ATOM     21  C   LIG    1       -6.731  -3.232  -0.603  0.00  0.00    +0.417 C 
ATOM     22  F   LIG    1       -6.759  -3.026  -1.950  0.00  0.00    -0.166 F 
ATOM     23  F   LIG    1       -7.654  -2.379  -0.079  0.00  0.00    -0.166 F 
ATOM     24  F   LIG    1       -7.226  -4.486  -0.410  0.00  0.00    -0.166 F 
ENDBRANCH  17  21
ENDBRANCH   3  15
BRANCH   1  25
ATOM     25  C   LIG    1       -1.345   1.661  -1.134  0.00  0.00    +0.146 C 
BRANCH  25  26
ATOM     26  C   LIG    1       -1.342   2.629   0.018  0.00  0.00    -0.012 A 
ATOM     27  C   LIG    1       -1.930   2.301   1.236  0.00  0.00    +0.115 A 
ATOM     28  N   LIG    1       -1.976   3.130   2.304  0.00  0.00    -0.263 NA
ATOM     29  C   LIG    1       -1.401   4.342   2.160  0.00  0.00    +0.111 A 
ATOM     30  C   LIG    1       -0.787   4.766   0.994  0.00  0.00    +0.020 A 
ATOM     31  C   LIG    1       -0.760   3.896  -0.092  0.00  0.00    +0.008 A 
ENDBRANCH  25  26
ENDBRANCH   1  25
TORSDOF 7