REMARK  Name = BDB045478
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        2.289  -0.646  -0.293  0.00  0.00    +0.008 C 
ATOM      2  C   LIG    1        1.040  -0.330  -0.086  0.00  0.00    +0.108 C 
ATOM      3  C   LIG    1        0.035  -1.392  -0.022  0.00  0.00    +0.261 C 
ATOM      4  O   LIG    1        0.369  -2.571  -0.170  0.00  0.00    -0.269 OA
ATOM      5  N   LIG    1       -1.277  -0.991   0.209  0.00  0.00    -0.206 N 
ATOM      6  C   LIG    1       -1.648   0.351   0.373  0.00  0.00    +0.320 C 
ATOM      7  O   LIG    1       -2.834   0.652   0.579  0.00  0.00    -0.251 OA
ATOM      8  N   LIG    1       -0.667   1.351   0.302  0.00  0.00    -0.206 N 
ATOM      9  C   LIG    1        0.678   1.079   0.074  0.00  0.00    +0.261 C 
ATOM     10  O   LIG    1        1.546   1.952   0.003  0.00  0.00    -0.269 OA
ENDROOT
BRANCH   1  14
ATOM     11  C   LIG    1        6.329  -1.659  -0.992  0.00  0.00    +0.163 A 
ATOM     12  C   LIG    1        5.979  -0.335  -0.699  0.00  0.00    +0.164 A 
ATOM     13  C   LIG    1        4.637   0.007  -0.487  0.00  0.00    +0.058 A 
ATOM     14  C   LIG    1        3.658  -0.988  -0.520  0.00  0.00    -0.013 A 
ATOM     15  C   LIG    1        4.010  -2.317  -0.771  0.00  0.00    +0.012 A 
ATOM     16  C   LIG    1        5.346  -2.656  -1.004  0.00  0.00    +0.050 A 
BRANCH  11  18
ATOM     17  C   LIG    1        7.931  -2.134  -2.562  0.00  0.00    +0.253 C 
ATOM     18  O   LIG    1        7.649  -1.987  -1.184  0.00  0.00    -0.469 OA
ENDBRANCH  11  18
BRANCH  12  19
ATOM     19  O   LIG    1        6.936   0.649  -0.702  0.00  0.00    -0.469 OA
ATOM     20  C   LIG    1        7.438   0.852   0.605  0.00  0.00    +0.253 C 
ENDBRANCH  12  19
ENDBRANCH   1  14
BRANCH   5  21
ATOM     21  C   LIG    1       -2.253  -1.958   0.279  0.00  0.00    +0.128 C 
BRANCH  21  22
ATOM     22  C   LIG    1       -3.265  -2.963   0.352  0.00  0.00    -0.019 A 
ATOM     23  C   LIG    1       -4.593  -2.599   0.585  0.00  0.00    +0.006 A 
ATOM     24  C   LIG    1       -5.581  -3.582   0.655  0.00  0.00    +0.000 A 
ATOM     25  C   LIG    1       -5.242  -4.926   0.493  0.00  0.00    +0.000 A 
ATOM     26  C   LIG    1       -3.916  -5.289   0.260  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -2.925  -4.308   0.189  0.00  0.00    +0.006 A 
ENDBRANCH  21  22
ENDBRANCH   5  21
BRANCH   8  28
ATOM     28  C   LIG    1       -1.049   2.663   0.463  0.00  0.00    +0.128 C 
BRANCH  28  29
ATOM     29  C   LIG    1       -1.444   4.026   0.630  0.00  0.00    -0.019 A 
ATOM     30  C   LIG    1       -2.786   4.340   0.851  0.00  0.00    +0.006 A 
ATOM     31  C   LIG    1       -3.171   5.672   1.014  0.00  0.00    +0.000 A 
ATOM     32  C   LIG    1       -2.215   6.687   0.957  0.00  0.00    +0.000 A 
ATOM     33  C   LIG    1       -0.874   6.372   0.736  0.00  0.00    +0.000 A 
ATOM     34  C   LIG    1       -0.487   5.041   0.572  0.00  0.00    +0.006 A 
ENDBRANCH  28  29
ENDBRANCH   8  28
TORSDOF 7