REMARK  Name = BDB008998
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -1.686  -1.724  -0.630  0.00  0.00    -0.041 A 
ATOM      2  C   LIG    1       -0.718  -0.763  -0.300  0.00  0.00    +0.012 A 
ATOM      3  C   LIG    1        0.189  -0.273  -1.256  0.00  0.00    -0.018 A 
ATOM      4  C   LIG    1        0.112  -0.774  -2.562  0.00  0.00    +0.008 A 
ATOM      5  C   LIG    1       -0.830  -1.746  -2.900  0.00  0.00    +0.001 A 
ATOM      6  C   LIG    1       -1.718  -2.224  -1.938  0.00  0.00    +0.004 A 
ENDROOT
BRANCH   3   7
ATOM      7  C   LIG    1        1.206   0.722  -0.887  0.00  0.00    -0.018 A 
ATOM      8  C   LIG    1        2.173   0.429   0.089  0.00  0.00    +0.013 A 
ATOM      9  C   LIG    1        3.160   1.363   0.451  0.00  0.00    -0.033 A 
ATOM     10  C   LIG    1        3.166   2.615  -0.174  0.00  0.00    +0.005 A 
ATOM     11  C   LIG    1        2.213   2.924  -1.144  0.00  0.00    +0.001 A 
ATOM     12  C   LIG    1        1.242   1.984  -1.498  0.00  0.00    +0.008 A 
BRANCH   9  13
ATOM     13  C   LIG    1        4.187   1.017   1.505  0.00  0.00    +0.116 C 
BRANCH  13  14
ATOM     14  N   LIG    1        4.989  -0.163   1.167  0.00  0.00    -0.309 NA
ATOM     15  H   LIG    1        5.408  -0.528   2.020  0.00  0.00    +0.123 HD
BRANCH  14  16
ATOM     16  C   LIG    1        5.954   0.152   0.110  0.00  0.00    +0.054 C 
ATOM     17  C   LIG    1        6.717  -1.143  -0.262  0.00  0.00    +0.019 C 
ATOM     18  C   LIG    1        8.000  -0.282  -0.270  0.00  0.00    +0.003 C 
ATOM     19  C   LIG    1        7.282   0.658   0.726  0.00  0.00    +0.019 C 
ENDBRANCH  14  16
ENDBRANCH  13  14
ENDBRANCH   9  13
ENDBRANCH   3   7
BRANCH   1  20
ATOM     20  C   LIG    1       -2.640  -2.260   0.413  0.00  0.00    +0.092 C 
BRANCH  20  29
ATOM     21  O   LIG    1       -5.122   1.594   3.479  0.00  0.00    -0.266 OA
ATOM     22  C   LIG    1       -4.605   0.750   2.752  0.00  0.00    +0.268 A 
ATOM     23  C   LIG    1       -5.167   0.414   1.420  0.00  0.00    +0.023 A 
ATOM     24  C   LIG    1       -6.427   1.132   1.022  0.00  0.00    +0.041 C 
ATOM     25  C   LIG    1       -7.137   0.468  -0.159  0.00  0.00    +0.005 C 
ATOM     26  C   LIG    1       -6.139   0.100  -1.250  0.00  0.00    +0.005 C 
ATOM     27  C   LIG    1       -5.072  -0.865  -0.722  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -4.562  -0.504   0.646  0.00  0.00    -0.016 A 
ATOM     29  C   LIG    1       -3.351  -1.174   1.216  0.00  0.00    +0.069 A 
ATOM     30  N   LIG    1       -2.856  -0.898   2.386  0.00  0.00    -0.175 NA
ATOM     31  N   LIG    1       -3.481   0.061   3.120  0.00  0.00    -0.243 N 
ATOM     32  H   LIG    1       -3.086   0.269   4.030  0.00  0.00    +0.192 HD
ENDBRANCH  20  29
ENDBRANCH   1  20
TORSDOF 6