REMARK  Name = BDB057778
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.669   1.096   0.710  0.00  0.00    +0.028 C 
ATOM      2  C   LIG    1       -0.752   1.537  -0.453  0.00  0.00    +0.022 C 
ATOM      3  C   LIG    1        0.711   1.229  -0.129  0.00  0.00    +0.085 C 
ATOM      4  N   LIG    1        0.979  -0.211   0.008  0.00  0.00    -0.302 NA
ATOM      5  C   LIG    1       -0.186  -0.987   0.451  0.00  0.00    +0.085 C 
ATOM      6  C   LIG    1       -1.154  -0.215   1.347  0.00  0.00    +0.022 C 
ENDROOT
BRANCH   1   7
ATOM      7  C   LIG    1       -3.211   1.153   0.391  0.00  0.00    +0.094 C 
BRANCH   7   8
ATOM      8  C   LIG    1       -4.094   1.455   1.629  0.00  0.00    -0.016 A 
ATOM      9  C   LIG    1       -3.695   1.212   2.953  0.00  0.00    +0.006 A 
ATOM     10  C   LIG    1       -4.541   1.497   4.031  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1       -5.808   2.029   3.811  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1       -6.233   2.274   2.511  0.00  0.00    +0.000 A 
ATOM     13  C   LIG    1       -5.388   1.989   1.436  0.00  0.00    +0.006 A 
ENDBRANCH   7   8
BRANCH   7  14
ATOM     14  O   LIG    1       -3.393   2.274  -0.498  0.00  0.00    -0.384 OA
ATOM     15  H   LIG    1       -3.357   3.079   0.049  0.00  0.00    +0.211 HD
ENDBRANCH   7  14
BRANCH   7  16
ATOM     16  C   LIG    1       -3.807  -0.100  -0.320  0.00  0.00    +0.040 C 
BRANCH  16  17
ATOM     17  C   LIG    1       -3.334  -0.366  -1.755  0.00  0.00    +0.003 C 
BRANCH  17  19
ATOM     18  C   LIG    1       -5.510  -1.328  -2.697  0.00  0.00    +0.004 C 
ATOM     19  C   LIG    1       -4.034  -1.563  -2.409  0.00  0.00    -0.003 C 
ENDBRANCH  17  19
ENDBRANCH  16  17
ENDBRANCH   7  16
ENDBRANCH   1   7
BRANCH   4  20
ATOM     20  C   LIG    1        2.168  -0.479   0.829  0.00  0.00    +0.087 C 
BRANCH  20  21
ATOM     21  C   LIG    1        3.471   0.089   0.257  0.00  0.00    +0.056 C 
BRANCH  21  22
ATOM     22  C   LIG    1        3.792  -0.451  -1.136  0.00  0.00    +0.230 C 
BRANCH  22  23
ATOM     23  O   LIG    1        5.054   0.050  -1.587  0.00  0.00    -0.492 OA
BRANCH  23  24
ATOM     24  C   LIG    1        6.186  -0.659  -1.304  0.00  0.00    +0.121 A 
ATOM     25  C   LIG    1        7.343  -0.164  -1.913  0.00  0.00    +0.047 A 
ATOM     26  C   LIG    1        8.581  -0.782  -1.708  0.00  0.00    +0.022 A 
ATOM     27  C   LIG    1        8.669  -1.905  -0.883  0.00  0.00    +0.052 A 
ATOM     28  C   LIG    1        7.516  -2.402  -0.269  0.00  0.00    +0.022 A 
ATOM     29  C   LIG    1        6.278  -1.780  -0.479  0.00  0.00    +0.047 A 
BRANCH  27  30
ATOM     30  C   LIG    1        9.934  -2.542  -0.664  0.00  0.00    +0.099 C 
ATOM     31  N   LIG    1       10.959  -3.057  -0.481  0.00  0.00    -0.191 NA
ENDBRANCH  27  30
ENDBRANCH  23  24
ENDBRANCH  22  23
ENDBRANCH  21  22
ENDBRANCH  20  21
ENDBRANCH   4  20
TORSDOF 12