Molecule Editor

Molecule ID: FYI-1006898 Edit

Molecule Structure InChIKey: QWBAPOSTIDRIRS-YUFPMKABSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC[C@@H](O)C2CCC([C@H](O)CCC(O)C(O)CCCCCC[C@@H]1C[C@@H](CC(C)=O)C(=O)O1)O2

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1006898
FYIcenter.com

107108  0  0  1  0  0  0  0  0999 V2000
   22.4896    1.6011    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0261    0.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9531    0.3443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   42.0225    8.3272    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.6587    5.7093    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.1151    1.6385    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.0377   10.8158    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   46.9790    4.8151    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.9434    2.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0358    2.6572    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3881    4.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5911    4.3664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.6525    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3267    2.1020    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9878    3.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.9913    3.3043    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.6970    2.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.2822    2.7491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0323    3.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7415    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9468    3.9516    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.2103    6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.0768    4.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.9681    6.1664    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.8750    5.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8667    7.7226    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7860    4.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.1658    5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2377    3.3962    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.1213    5.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.8305    4.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9023    4.5987    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6641    9.0582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.6538    7.9106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1932    4.0435    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8578    5.2458    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.7101    6.4567    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1487    4.6906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8133    5.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.4972    6.6446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1042    5.3377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7688    6.5400    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0597    5.9848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.1824    1.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7968    1.1486    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4778    4.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.2716    5.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7075    5.4744    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5012    4.5980    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7120    1.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.2671    1.7577    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5110    4.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1098    3.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.8691    3.9904    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4682    4.2882    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1739    1.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.5748    2.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4041    2.0631    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8053    1.7654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8604    4.6970    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9134    2.6508    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8246    4.6375    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4237    4.9353    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0856    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.1702    6.9393    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.5999    5.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1988    5.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8934    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.6238    5.1067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.9860    5.7132    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.3518    4.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.7528    4.6517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   45.2658    8.7629    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.2629    3.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.6638    3.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.6889    6.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.2878    6.5789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3597    2.7102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7608    2.4125    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.6444    6.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.2433    5.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.3074    3.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.7083    4.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7802    5.2846    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.3792    5.5824    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.6551    8.3989    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.3467    8.9815    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4866    6.4549    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3152    3.3575    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7163    3.0596    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.1746    1.2942    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7357    5.9317    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3347    6.2295    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2707    4.0046    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6718    3.7067    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6912    6.5789    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2902    6.8766    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   49.6136    5.5366    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   50.6052    6.7611    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   49.3807    7.7527    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2262    4.6517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6273    4.3540    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6467    7.2260    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2457    7.5237    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7154    7.0445    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4040    4.9251    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  9  1  0  0  0  0
  1 10  1  0  0  0  0
 13  2  1  1  0  0  0
  2 64  1  0  0  0  0
 14  3  1  6  0  0  0
  3 68  1  0  0  0  0
  4 22  1  0  0  0  0
  4 33  1  0  0  0  0
  5 19  1  0  0  0  0
  5 88  1  0  0  0  0
  6 20  1  0  0  0  0
  6 91  1  0  0  0  0
  7 33  2  0  0  0  0
  8 37  2  0  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 44  1  1  0  0  0
 10 12  1  0  0  0  0
 10 14  1  0  0  0  0
 10 45  1  6  0  0  0
 11 12  1  0  0  0  0
 11 46  1  0  0  0  0
 11 47  1  0  0  0  0
 12 48  1  0  0  0  0
 12 49  1  0  0  0  0
 13 15  1  0  0  0  0
 13 50  1  0  0  0  0
 14 16  1  0  0  0  0
 14 51  1  0  0  0  0
 15 17  1  0  0  0  0
 15 52  1  0  0  0  0
 15 53  1  0  0  0  0
 16 18  1  0  0  0  0
 16 54  1  0  0  0  0
 16 55  1  0  0  0  0
 17 19  1  0  0  0  0
 17 56  1  0  0  0  0
 17 57  1  0  0  0  0
 18 21  1  0  0  0  0
 18 58  1  0  0  0  0
 18 59  1  0  0  0  0
 19 20  1  0  0  0  0
 19 60  1  0  0  0  0
 20 23  1  0  0  0  0
 20 61  1  0  0  0  0
 21 29  1  0  0  0  0
 21 62  1  0  0  0  0
 21 63  1  0  0  0  0
 22 24  1  0  0  0  0
 22 25  1  1  0  0  0
 22 65  1  0  0  0  0
 23 27  1  0  0  0  0
 23 66  1  0  0  0  0
 23 67  1  0  0  0  0
 24 26  1  0  0  0  0
 24 69  1  0  0  0  0
 24 70  1  0  0  0  0
 25 28  1  0  0  0  0
 25 71  1  0  0  0  0
 25 72  1  0  0  0  0
 26 33  1  0  0  0  0
 26 34  1  6  0  0  0
 26 73  1  0  0  0  0
 27 30  1  0  0  0  0
 27 74  1  0  0  0  0
 27 75  1  0  0  0  0
 28 31  1  0  0  0  0
 28 76  1  0  0  0  0
 28 77  1  0  0  0  0
 29 32  1  0  0  0  0
 29 78  1  0  0  0  0
 29 79  1  0  0  0  0
 30 31  1  0  0  0  0
 30 80  1  0  0  0  0
 30 81  1  0  0  0  0
 31 82  1  0  0  0  0
 31 83  1  0  0  0  0
 32 35  1  0  0  0  0
 32 84  1  0  0  0  0
 32 85  1  0  0  0  0
 34 37  1  0  0  0  0
 34 86  1  0  0  0  0
 34 87  1  0  0  0  0
 35 36  1  0  0  0  0
 35 89  1  0  0  0  0
 35 90  1  0  0  0  0
 36 38  1  0  0  0  0
 36 92  1  0  0  0  0
 36 93  1  0  0  0  0
 37 40  1  0  0  0  0
 38 39  1  0  0  0  0
 38 94  1  0  0  0  0
 38 95  1  0  0  0  0
 39 41  1  0  0  0  0
 39 96  1  0  0  0  0
 39 97  1  0  0  0  0
 40 98  1  0  0  0  0
 40 99  1  0  0  0  0
 40100  1  0  0  0  0
 41 42  1  0  0  0  0
 41101  1  0  0  0  0
 41102  1  0  0  0  0
 42 43  1  0  0  0  0
 42103  1  0  0  0  0
 42104  1  0  0  0  0
 43105  1  0  0  0  0
 43106  1  0  0  0  0
 43107  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006898-3D
FYIcenter.com

107108  0  0  1  0  0  0  0  0999 V2000
    2.9765   -4.5062    1.5031 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0080   -3.4531    1.8671 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1373   -3.4170    0.8427 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1728   -2.3583    1.2064 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2950   -2.3317    0.1763 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3329   -1.2760    0.5340 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4479   -1.2623   -0.5019 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4926   -0.2113   -0.1568 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5994   -0.2104   -1.2024 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6451    0.8400   -0.8675 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7535    0.8550   -1.9147 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7906    1.9082   -1.5401 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9491    1.9678   -2.5404 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.4323    2.4046   -3.8012 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0226    2.9833   -2.1646 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.6670    2.8137   -0.8020 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0739    4.2242   -0.4673 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9505    5.0468   -1.0814 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.3673    6.4259   -1.5716 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.2115    7.0685   -2.1121 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.4243    6.3887   -2.6798 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8365    7.7874   -3.1299 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.5129    8.5949   -2.0122 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.7515    7.9491   -1.7108 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.8477   10.0212   -2.4310 C   0  0  3  0  0  0  0  0  0  0  0  0
   20.7983    9.8654   -3.4773 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.6407   10.8516   -2.8678 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6092   10.9693   -1.7481 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3549   11.6859   -2.2167 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.3405   11.7924   -1.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0937   12.5001   -1.5853 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0445   12.6666   -0.4920 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8345   13.4219   -1.0322 C   0  0  2  0  0  0  0  0  0  0  0  0
   10.7589   13.6054    0.0074 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4934   13.7120   -0.8264 C   0  0  1  0  0  0  0  0  0  0  0  0
    9.1178   15.1361   -1.2309 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7652   16.0003   -0.0329 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266   17.4409   -0.2984 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7384   15.5601    1.1167 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8600   12.9038   -2.0419 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.0850   12.5162   -2.8999 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2069   12.6821   -2.0816 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4055    4.2866   -2.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1729   -4.5219    2.2450 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4306   -5.5017    1.4690 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5343   -4.2969    0.5237 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4143   -3.6702    2.8619 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5225   -2.4717    1.9211 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7280   -3.2039   -0.1525 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6204   -4.4004    0.7891 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5881   -2.5694    2.1993 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6951   -1.3723    1.2573 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8818   -2.1203   -0.8177 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7743   -3.3171    0.1239 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7506   -1.4848    1.5266 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8586   -0.2881    0.5825 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0297   -1.0544   -1.4943 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9213   -2.2506   -0.5505 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9155   -0.4169    0.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0233    0.7792   -0.1092 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1743   -0.0075   -2.1928 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0692   -1.2005   -1.2464 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0710    0.6330    0.1226 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1732    1.8290   -0.8140 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3294    1.0668   -2.9026 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2295   -0.1319   -1.9656 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1573    1.6718   -0.5374 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2904    2.8835   -1.4860 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3985    0.9776   -2.6666 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1008    3.3110   -3.6550 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7903    3.0117   -2.9480 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.5068    2.1150   -0.8268 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9681    2.4694   -0.0372 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0468    4.4255   -0.9210 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1759    4.4009    0.6072 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1247    5.1506   -0.3651 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7056    7.0050   -0.7076 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8516    6.4226   -2.7483 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0201    5.8690   -3.5587 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3272    5.8408   -2.3703 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9545    8.3042   -3.5207 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5302    7.6551   -3.9687 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9228    8.6110   -1.0959 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.3668    8.2051   -2.4318 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3703   10.5315   -1.6099 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.2926    9.6446   -4.2781 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1826   10.4241   -3.7684 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9791   11.8478   -3.1761 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0505   11.4975   -0.8972 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.3077    9.9767   -1.3920 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9069   11.1334   -3.0526 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6108   12.6849   -2.5843 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7770   12.3438   -0.2380 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0803   10.7912   -0.7098 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6713   11.9273   -2.4195 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3714   13.4860   -1.9770 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4724   13.2100    0.3598 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.7439   11.6731   -0.1356 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1531   14.3862   -1.4482 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9678   14.4624    0.6515 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6871   12.7197    0.6482 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6671   13.2205   -0.3031 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2429   15.1121   -1.8922 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9355   15.6162   -1.7811 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6053   17.6945   -1.3454 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0592   18.0761    0.3276 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3731   17.6067   -0.0626 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  1 46  1  0  0  0  0
  2  3  1  0  0  0  0
  2 47  1  0  0  0  0
  2 48  1  0  0  0  0
  3  4  1  0  0  0  0
  3 49  1  0  0  0  0
  3 50  1  0  0  0  0
  4  5  1  0  0  0  0
  4 51  1  0  0  0  0
  4 52  1  0  0  0  0
  5  6  1  0  0  0  0
  5 53  1  0  0  0  0
  5 54  1  0  0  0  0
  6  7  1  0  0  0  0
  6 55  1  0  0  0  0
  6 56  1  0  0  0  0
  7  8  1  0  0  0  0
  7 57  1  0  0  0  0
  7 58  1  0  0  0  0
  8  9  1  0  0  0  0
  8 59  1  0  0  0  0
  8 60  1  0  0  0  0
  9 10  1  0  0  0  0
  9 61  1  0  0  0  0
  9 62  1  0  0  0  0
 10 11  1  0  0  0  0
 10 63  1  0  0  0  0
 10 64  1  0  0  0  0
 11 12  1  0  0  0  0
 11 65  1  0  0  0  0
 11 66  1  0  0  0  0
 12 13  1  0  0  0  0
 12 67  1  0  0  0  0
 12 68  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 69  1  6  0  0  0
 14 70  1  0  0  0  0
 15 16  1  0  0  0  0
 15 43  1  0  0  0  0
 15 71  1  0  0  0  0
 16 17  1  0  0  0  0
 16 72  1  0  0  0  0
 16 73  1  0  0  0  0
 17 18  1  0  0  0  0
 17 74  1  0  0  0  0
 17 75  1  0  0  0  0
 18 43  1  0  0  0  0
 18 76  1  0  0  0  0
 19 21  1  0  0  0  0
 19 20  1  0  0  0  0
 19 18  1  0  0  0  0
 19 77  1  1  0  0  0
 20 78  1  0  0  0  0
 21 22  1  0  0  0  0
 21 79  1  0  0  0  0
 21 80  1  0  0  0  0
 22 23  1  0  0  0  0
 22 81  1  0  0  0  0
 22 82  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23 83  1  0  0  0  0
 24 84  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25 85  1  0  0  0  0
 26 86  1  0  0  0  0
 27 28  1  0  0  0  0
 27 87  1  0  0  0  0
 27 88  1  0  0  0  0
 28 29  1  0  0  0  0
 28 89  1  0  0  0  0
 28 90  1  0  0  0  0
 29 30  1  0  0  0  0
 29 91  1  0  0  0  0
 29 92  1  0  0  0  0
 30 31  1  0  0  0  0
 30 93  1  0  0  0  0
 30 94  1  0  0  0  0
 31 32  1  0  0  0  0
 31 95  1  0  0  0  0
 31 96  1  0  0  0  0
 32 33  1  0  0  0  0
 32 97  1  0  0  0  0
 32 98  1  0  0  0  0
 33 34  1  0  0  0  0
 33 42  1  0  0  0  0
 33 99  1  6  0  0  0
 34 35  1  0  0  0  0
 34100  1  0  0  0  0
 34101  1  0  0  0  0
 35 36  1  0  0  0  0
 35 40  1  0  0  0  0
 35102  1  1  0  0  0
 36 37  1  0  0  0  0
 36103  1  0  0  0  0
 36104  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38105  1  0  0  0  0
 38106  1  0  0  0  0
 38107  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
M  END
$$$$