REMARK  Name = BDB048767
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.407  -0.294  -1.071  0.00  0.00    +0.235 C 
ENDROOT
BRANCH   1   2
ATOM      2  C   LIG    1       -1.453  -0.483  -2.167  0.00  0.00    +0.100 C 
BRANCH   2   5
ATOM      3  C   LIG    1       -3.349   2.053  -3.308  0.00  0.00    +0.088 C 
ATOM      4  C   LIG    1       -3.540   1.050  -2.247  0.00  0.00    +0.126 A 
ATOM      5  C   LIG    1       -2.793   0.001  -1.753  0.00  0.00    +0.086 A 
ATOM      6  N   LIG    1       -3.485  -0.614  -0.734  0.00  0.00    -0.214 NA
ATOM      7  C   LIG    1       -4.613   0.065  -0.648  0.00  0.00    +0.228 A 
ATOM      8  O   LIG    1       -4.710   1.098  -1.543  0.00  0.00    -0.440 OA
BRANCH   7   9
ATOM      9  C   LIG    1       -5.743  -0.134   0.256  0.00  0.00    +0.038 A 
ATOM     10  C   LIG    1       -6.872   0.699   0.228  0.00  0.00    +0.032 A 
ATOM     11  C   LIG    1       -7.941   0.484   1.109  0.00  0.00    +0.052 A 
ATOM     12  C   LIG    1       -7.888  -0.569   2.026  0.00  0.00    +0.019 A 
ATOM     13  C   LIG    1       -6.772  -1.404   2.064  0.00  0.00    +0.002 A 
ATOM     14  C   LIG    1       -5.709  -1.187   1.185  0.00  0.00    +0.013 A 
BRANCH  11  15
ATOM     15  C   LIG    1       -9.087   1.345   1.069  0.00  0.00    +0.099 C 
ATOM     16  N   LIG    1      -10.014   2.042   1.037  0.00  0.00    -0.191 NA
ENDBRANCH  11  15
ENDBRANCH   7   9
ENDBRANCH   2   5
ENDBRANCH   1   2
BRANCH   1  17
ATOM     17  O   LIG    1        0.864  -0.681  -1.600  0.00  0.00    -0.492 OA
BRANCH  17  18
ATOM     18  C   LIG    1        1.940  -0.598  -0.758  0.00  0.00    +0.121 A 
ATOM     19  C   LIG    1        3.152  -0.999  -1.331  0.00  0.00    +0.049 A 
ATOM     20  C   LIG    1        4.304  -0.961  -0.562  0.00  0.00    -0.040 A 
ATOM     21  C   LIG    1        5.696  -1.319  -0.974  0.00  0.00    +0.036 C 
ATOM     22  C   LIG    1        6.382  -1.464   0.393  0.00  0.00    +0.013 C 
ATOM     23  C   LIG    1        5.646  -0.521   1.375  0.00  0.00    +0.030 C 
ATOM     24  C   LIG    1        4.271  -0.510   0.760  0.00  0.00    -0.040 A 
ATOM     25  C   LIG    1        3.079  -0.109   1.342  0.00  0.00    +0.008 A 
ATOM     26  C   LIG    1        1.909  -0.157   0.575  0.00  0.00    +0.046 A 
BRANCH  23  27
ATOM     27  C   LIG    1        6.238   0.891   1.416  0.00  0.00    +0.128 C 
BRANCH  27  28
ATOM     28  C   LIG    1        7.545   0.934   2.170  0.00  0.00    +0.305 C 
ATOM     29  O   LIG    1        8.062  -0.009   2.746  0.00  0.00    -0.251 OA
BRANCH  28  30
ATOM     30  O   LIG    1        8.106   2.166   2.153  0.00  0.00    -0.481 OA
ATOM     31  H   LIG    1        7.585   2.830   1.663  0.00  0.00    +0.295 HD
ENDBRANCH  28  30
ENDBRANCH  27  28
ENDBRANCH  23  27
ENDBRANCH  17  18
ENDBRANCH   1  17
TORSDOF 9