REMARK  Name = BDB048549
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.581  -2.189  -0.249  0.00  0.00    +0.057 A 
ATOM      2  C   LIG    1        0.726  -1.956  -0.753  0.00  0.00    +0.049 A 
ATOM      3  C   LIG    1        1.691  -2.962  -0.625  0.00  0.00    +0.027 A 
ATOM      4  C   LIG    1        1.391  -4.152   0.043  0.00  0.00    +0.034 A 
ATOM      5  C   LIG    1        0.106  -4.354   0.562  0.00  0.00    +0.128 A 
ATOM      6  C   LIG    1       -0.887  -3.379   0.415  0.00  0.00    +0.058 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1       -2.823  -1.073  -0.072  0.00  0.00    +0.250 C 
ATOM      8  N   LIG    1       -1.502  -1.137  -0.448  0.00  0.00    -0.280 N 
ATOM      9  H   LIG    1       -1.073  -0.326  -0.888  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1       -3.471  -1.966   0.462  0.00  0.00    -0.270 OA
BRANCH   7  15
ATOM     11  C   LIG    1       -3.276   4.011  -0.472  0.00  0.00    +0.048 C 
ATOM     12  C   LIG    1       -3.779   2.605  -0.646  0.00  0.00    +0.004 A 
ATOM     13  C   LIG    1       -3.022   1.480  -0.255  0.00  0.00    +0.059 A 
ATOM     14 CL   LIG    1       -1.474   1.736   0.489  0.00  0.00    -0.082 Cl
ATOM     15  C   LIG    1       -3.539   0.182  -0.436  0.00  0.00    +0.056 A 
ATOM     16  C   LIG    1       -4.825   0.015  -0.977  0.00  0.00    +0.017 A 
ATOM     17  C   LIG    1       -5.577   1.122  -1.359  0.00  0.00    +0.039 A 
ATOM     18  C   LIG    1       -5.050   2.397  -1.195  0.00  0.00    +0.128 A 
ATOM     19  F   LIG    1       -5.795   3.445  -1.574  0.00  0.00    -0.205 F 
ENDBRANCH   7  15
ENDBRANCH   1   8
BRANCH   5  20
ATOM     20  N   LIG    1       -0.201  -5.612   1.257  0.00  0.00    +0.056 N 
ATOM     21  O   LIG    1        0.718  -6.435   1.381  0.00  0.00    -0.126 OA
ATOM     22  O   LIG    1       -1.354  -5.781   1.674  0.00  0.00    -0.126 OA
ENDBRANCH   5  20
BRANCH   2  23
ATOM     23  N   LIG    1        0.942  -0.775  -1.510  0.00  0.00    -0.342 N 
ATOM     24  H   LIG    1        0.731  -1.007  -2.484  0.00  0.00    +0.146 HD
BRANCH  23  25
ATOM     25  C   LIG    1        2.255  -0.129  -1.424  0.00  0.00    +0.103 C 
BRANCH  25  26
ATOM     26  C   LIG    1        2.492   0.467  -0.037  0.00  0.00    +0.040 C 
BRANCH  26  27
ATOM     27  C   LIG    1        3.798   1.253  -0.002  0.00  0.00    +0.124 C 
BRANCH  27  28
ATOM     28  N   LIG    1        4.055   1.830   1.302  0.00  0.00    -0.337 N 
ATOM     29  C   LIG    1        4.814   1.273   2.289  0.00  0.00    +0.199 A 
ATOM     30  N   LIG    1        4.873   2.054   3.344  0.00  0.00    -0.244 NA
ATOM     31  C   LIG    1        4.122   3.155   3.022  0.00  0.00    +0.130 A 
ATOM     32  C   LIG    1        3.606   3.039   1.753  0.00  0.00    +0.106 A 
ENDBRANCH  27  28
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  23  25
ENDBRANCH   2  23
TORSDOF 8