REMARK  Name = BDB057037
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  O   LIG    1        1.568   0.030  -0.451  0.00  0.00    -0.253 OA
ATOM      2  C   LIG    1        2.017  -1.101  -0.339  0.00  0.00    +0.304 C 
ATOM      3  N   LIG    1        1.226  -2.234  -0.341  0.00  0.00    -0.296 N 
ATOM      4  H   LIG    1        1.591  -2.998   0.207  0.00  0.00    +0.151 HD
ATOM      5  N   LIG    1        3.346  -1.446  -0.207  0.00  0.00    -0.269 N 
ATOM      6  H   LIG    1        3.554  -2.415  -0.394  0.00  0.00    +0.156 HD
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1       -0.231  -2.187  -0.463  0.00  0.00    +0.077 C 
ATOM      8  C   LIG    1       -0.927  -1.441   0.686  0.00  0.00    +0.038 C 
ATOM      9  C   LIG    1       -1.693  -0.211   0.196  0.00  0.00    +0.086 C 
ATOM     10  N   LIG    1       -2.658  -0.495  -0.875  0.00  0.00    -0.298 NA
ATOM     11  C   LIG    1       -2.213  -1.522  -1.824  0.00  0.00    +0.086 C 
ATOM     12  C   LIG    1       -0.697  -1.710  -1.843  0.00  0.00    +0.038 C 
BRANCH  10  13
ATOM     13  C   LIG    1       -4.019  -0.773  -0.391  0.00  0.00    +0.119 C 
BRANCH  13  14
ATOM     14  C   LIG    1       -4.704   0.423   0.238  0.00  0.00    -0.033 A 
ATOM     15  C   LIG    1       -4.750   1.657  -0.429  0.00  0.00    +0.005 A 
ATOM     16  C   LIG    1       -5.404   2.750   0.140  0.00  0.00    +0.000 A 
ATOM     17  C   LIG    1       -6.027   2.621   1.380  0.00  0.00    +0.000 A 
ATOM     18  C   LIG    1       -5.997   1.399   2.050  0.00  0.00    +0.000 A 
ATOM     19  C   LIG    1       -5.342   0.305   1.482  0.00  0.00    +0.005 A 
ENDBRANCH  13  14
ENDBRANCH  10  13
ENDBRANCH   3   7
BRANCH   5  20
ATOM     20  C   LIG    1        4.447  -0.580  -0.068  0.00  0.00    +0.035 A 
ATOM     21  C   LIG    1        4.331   0.794   0.155  0.00  0.00    +0.035 A 
ATOM     22  C   LIG    1        5.474   1.603   0.298  0.00  0.00    +0.057 A 
ATOM     23  C   LIG    1        6.743   1.014   0.206  0.00  0.00    +0.012 A 
ATOM     24  C   LIG    1        6.867  -0.357  -0.007  0.00  0.00    +0.002 A 
ATOM     25  C   LIG    1        5.724  -1.149  -0.140  0.00  0.00    +0.023 A 
BRANCH  22  26
ATOM     26  C   LIG    1        5.324   3.088   0.516  0.00  0.00    +0.417 C 
ATOM     27  F   LIG    1        6.452   3.672   1.013  0.00  0.00    -0.166 F 
ATOM     28  F   LIG    1        5.036   3.758  -0.633  0.00  0.00    -0.166 F 
ATOM     29  F   LIG    1        4.332   3.401   1.396  0.00  0.00    -0.166 F 
ENDBRANCH  22  26
ENDBRANCH   5  20
TORSDOF 5