REMARK  Name = BDB008843
REMARK                            x       y       z     vdW  Elec       q    Type
REMARK                         _______ _______ _______ _____ _____    ______ ____
ROOT
ATOM      1  C   LIG    1       -0.938  -0.186  -2.061  0.00  0.00    +0.034 A 
ATOM      2  C   LIG    1       -2.248  -0.683  -2.001  0.00  0.00    +0.027 A 
ATOM      3  C   LIG    1       -3.347   0.103  -2.385  0.00  0.00    -0.040 A 
ATOM      4  C   LIG    1       -3.113   1.396  -2.867  0.00  0.00    +0.004 A 
ATOM      5  C   LIG    1       -1.814   1.897  -2.931  0.00  0.00    +0.002 A 
ATOM      6  C   LIG    1       -0.732   1.112  -2.526  0.00  0.00    +0.023 A 
ENDROOT
BRANCH   1   8
ATOM      7  C   LIG    1        1.455  -0.787  -1.602  0.00  0.00    +0.217 C 
ATOM      8  N   LIG    1        0.096  -1.050  -1.643  0.00  0.00    -0.285 N 
ATOM      9  H   LIG    1       -0.198  -1.973  -1.345  0.00  0.00    +0.155 HD
ATOM     10  O   LIG    1        2.004   0.263  -1.913  0.00  0.00    -0.275 OA
BRANCH   7  11
ATOM     11  C   LIG    1        2.234  -1.991  -1.089  0.00  0.00    +0.096 C 
BRANCH  11  12
ATOM     12  C   LIG    1        3.748  -1.787  -1.051  0.00  0.00    +0.018 C 
BRANCH  12  13
ATOM     13  C   LIG    1        4.194  -0.818   0.046  0.00  0.00    +0.096 C 
BRANCH  13  15
ATOM     14  O   LIG    1        6.452  -1.525  -0.405  0.00  0.00    -0.275 OA
ATOM     15  C   LIG    1        5.710  -0.726   0.155  0.00  0.00    +0.217 C 
ATOM     16  N   LIG    1        6.094   0.323   0.976  0.00  0.00    -0.285 N 
ATOM     17  H   LIG    1        5.351   0.903   1.344  0.00  0.00    +0.155 HD
BRANCH  16  18
ATOM     18  C   LIG    1        7.404   0.701   1.335  0.00  0.00    +0.033 A 
ATOM     19  C   LIG    1        8.555   0.031   0.917  0.00  0.00    +0.023 A 
ATOM     20  C   LIG    1        9.819   0.472   1.322  0.00  0.00    +0.002 A 
ATOM     21  C   LIG    1        9.944   1.586   2.148  0.00  0.00    +0.000 A 
ATOM     22  C   LIG    1        8.803   2.262   2.571  0.00  0.00    +0.002 A 
ATOM     23  C   LIG    1        7.540   1.821   2.167  0.00  0.00    +0.023 A 
ENDBRANCH  16  18
ENDBRANCH  13  15
ENDBRANCH  12  13
ENDBRANCH  11  12
ENDBRANCH   7  11
ENDBRANCH   1   8
BRANCH   3  24
ATOM     24  C   LIG    1       -4.755  -0.447  -2.331  0.00  0.00    +0.092 C 
BRANCH  24  25
ATOM     25  C   LIG    1       -5.115  -1.072  -0.986  0.00  0.00    +0.069 A 
ATOM     26  C   LIG    1       -5.604  -0.201   0.129  0.00  0.00    -0.016 A 
ATOM     27  C   LIG    1       -5.720   1.287  -0.047  0.00  0.00    +0.037 C 
ATOM     28  C   LIG    1       -5.938   2.042   1.268  0.00  0.00    +0.005 C 
ATOM     29  C   LIG    1       -6.948   1.327   2.155  0.00  0.00    +0.005 C 
ATOM     30  C   LIG    1       -6.482  -0.095   2.477  0.00  0.00    +0.041 C 
ATOM     31  C   LIG    1       -5.932  -0.817   1.278  0.00  0.00    +0.023 A 
ATOM     32  C   LIG    1       -5.769  -2.286   1.408  0.00  0.00    +0.268 A 
ATOM     33  O   LIG    1       -6.040  -2.878   2.448  0.00  0.00    -0.266 OA
ATOM     34  N   LIG    1       -5.296  -2.937   0.301  0.00  0.00    -0.243 N 
ATOM     35  H   LIG    1       -5.190  -3.943   0.367  0.00  0.00    +0.192 HD
ATOM     36  N   LIG    1       -4.974  -2.362  -0.887  0.00  0.00    -0.175 NA
ENDBRANCH  24  25
ENDBRANCH   3  24
TORSDOF 8