REMARK  Name = BDB014970
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1        0.271   0.611   1.041  0.00  0.00    +0.154 C 
ENDROOT
BRANCH   1   2
ATOM      2  O   LIG    1        0.422  -0.809   1.196  0.00  0.00    -0.388 OA
ATOM      3  H   LIG    1        0.482  -0.986   2.150  0.00  0.00    +0.210 HD
ENDBRANCH   1   2
BRANCH   1   4
ATOM      4  C   LIG    1        1.500   1.354   1.621  0.00  0.00    +0.118 C 
BRANCH   4   5
ATOM      5  N   LIG    1        2.740   1.314   0.817  0.00  0.00    -0.295 NA
ATOM      6  C   LIG    1        3.264  -0.061   0.673  0.00  0.00    +0.120 C 
ATOM      7  C   LIG    1        4.652  -0.138   0.065  0.00  0.00    -0.030 A 
ATOM      8  C   LIG    1        5.490   0.988   0.017  0.00  0.00    -0.042 A 
ATOM      9  C   LIG    1        6.775   0.879  -0.532  0.00  0.00    +0.004 A 
ATOM     10  C   LIG    1        7.236  -0.348  -1.006  0.00  0.00    +0.000 A 
ATOM     11  C   LIG    1        6.416  -1.472  -0.943  0.00  0.00    +0.000 A 
ATOM     12  C   LIG    1        4.980   2.320   0.497  0.00  0.00    +0.051 C 
ATOM     13  C   LIG    1        5.131  -1.369  -0.408  0.00  0.00    +0.005 A 
ATOM     14  C   LIG    1        3.768   2.176   1.425  0.00  0.00    +0.089 C 
ENDBRANCH   4   5
ENDBRANCH   1   4
BRANCH   1  15
ATOM     15  C   LIG    1        0.003   0.981  -0.428  0.00  0.00    +0.192 C 
BRANCH  15  16
ATOM     16  O   LIG    1       -1.329   0.640  -0.838  0.00  0.00    -0.372 OA
BRANCH  16  17
ATOM     17  C   LIG    1       -1.516  -0.752  -1.136  0.00  0.00    +0.136 C 
ATOM     18  C   LIG    1       -2.410  -1.440  -0.080  0.00  0.00    +0.136 C 
ATOM     19  N   LIG    1       -3.838  -1.389  -0.429  0.00  0.00    -0.327 N 
ATOM     20  C   LIG    1       -4.233  -1.914  -1.743  0.00  0.00    +0.105 C 
ATOM     21  C   LIG    1       -3.030  -2.061  -2.678  0.00  0.00    +0.021 C 
ATOM     22  C   LIG    1       -2.110  -0.853  -2.549  0.00  0.00    +0.035 C 
BRANCH  19  23
ATOM     23  C   LIG    1       -4.734  -0.573   0.249  0.00  0.00    +0.030 A 
ATOM     24  C   LIG    1       -4.331   0.563   0.967  0.00  0.00    +0.023 A 
ATOM     25  C   LIG    1       -5.249   1.372   1.649  0.00  0.00    +0.002 A 
ATOM     26  C   LIG    1       -6.603   1.059   1.633  0.00  0.00    +0.000 A 
ATOM     27  C   LIG    1       -7.035  -0.060   0.932  0.00  0.00    +0.002 A 
ATOM     28  C   LIG    1       -6.110  -0.860   0.251  0.00  0.00    +0.023 A 
ENDBRANCH  19  23
ENDBRANCH  16  17
ENDBRANCH  15  16
ENDBRANCH   1  15
TORSDOF 7