REMARK  Name = BDB048825
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -2.334   0.252  -0.528  0.00  0.00    +0.081 C 
ATOM      2  C   LIG    1       -0.934   0.585  -0.683  0.00  0.00    +0.169 C 
ATOM      3  C   LIG    1       -0.137  -0.505  -0.145  0.00  0.00    -0.000 A 
ATOM      4  C   LIG    1       -1.074  -1.467   0.267  0.00  0.00    -0.011 A 
ATOM      5  C   LIG    1       -0.647  -2.671   0.801  0.00  0.00    +0.012 A 
ATOM      6  C   LIG    1        0.731  -2.885   0.931  0.00  0.00    +0.046 A 
ATOM      7  C   LIG    1        1.666  -1.909   0.541  0.00  0.00    +0.121 A 
ATOM      8  C   LIG    1        1.226  -0.706  -0.016  0.00  0.00    +0.052 A 
ATOM      9  C   LIG    1       -2.453  -0.979   0.024  0.00  0.00    +0.002 C 
ENDROOT
BRANCH   9  10
ATOM     10  C   LIG    1       -3.723  -1.640   0.344  0.00  0.00    -0.017 A 
ATOM     11  C   LIG    1       -4.619  -1.998  -0.672  0.00  0.00    +0.008 A 
ATOM     12  C   LIG    1       -5.829  -2.619  -0.358  0.00  0.00    +0.001 A 
ATOM     13  C   LIG    1       -6.151  -2.888   0.972  0.00  0.00    +0.000 A 
ATOM     14  C   LIG    1       -5.264  -2.537   1.988  0.00  0.00    +0.001 A 
ATOM     15  C   LIG    1       -4.054  -1.916   1.676  0.00  0.00    +0.008 A 
ENDBRANCH   9  10
BRANCH   2  16
ATOM     16  N   LIG    1       -0.387   1.799  -1.207  0.00  0.00    -0.181 N 
ATOM     17  O   LIG    1        0.795   2.317  -0.587  0.00  0.00    -0.173 OA
ATOM     18  C   LIG    1       -0.933   2.465  -2.384  0.00  0.00    +0.191 C 
ENDBRANCH   2  16
BRANCH   1  19
ATOM     19  C   LIG    1       -3.462   1.129  -0.861  0.00  0.00    +0.339 C 
ATOM     20  O   LIG    1       -3.737   1.477  -1.998  0.00  0.00    -0.245 OA
BRANCH  19  21
ATOM     21  O   LIG    1       -4.096   1.502   0.276  0.00  0.00    -0.462 OA
BRANCH  21  23
ATOM     22  C   LIG    1       -5.902   2.573   1.411  0.00  0.00    +0.048 C 
ATOM     23  C   LIG    1       -5.246   2.327   0.066  0.00  0.00    +0.229 C 
ENDBRANCH  21  23
ENDBRANCH  19  21
ENDBRANCH   1  19
BRANCH   7  24
ATOM     24  O   LIG    1        2.974  -2.266   0.734  0.00  0.00    -0.491 OA
BRANCH  24  25
ATOM     25  C   LIG    1        3.962  -1.229   0.682  0.00  0.00    +0.244 C 
BRANCH  25  26
ATOM     26  C   LIG    1        4.543  -1.101  -0.739  0.00  0.00    +0.125 C 
BRANCH  26  27
ATOM     27  N   LIG    1        5.508  -0.022  -0.981  0.00  0.00    -0.295 NA
ATOM     28  C   LIG    1        4.897   1.320  -0.965  0.00  0.00    +0.112 C 
ATOM     29  C   LIG    1        5.971   2.415  -0.869  0.00  0.00    +0.175 C 
ATOM     30  O   LIG    1        6.733   2.350   0.346  0.00  0.00    -0.377 OA
ATOM     31  C   LIG    1        6.795   1.033   0.907  0.00  0.00    +0.175 C 
ATOM     32  C   LIG    1        6.722  -0.082  -0.149  0.00  0.00    +0.112 C 
ENDBRANCH  26  27
ENDBRANCH  25  26
ENDBRANCH  24  25
ENDBRANCH   7  24
TORSDOF 9