Molecule Editor

Molecule ID: FYI-1006835 Edit

Molecule Structure InChIKey: XNODZYPOIPVPRF-CGWDHHCXSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC[C@@H](O)C2CCC([C@H](O)CCCC[C@H](O)CCCCC[C@@H](O)CC1=C[C@H](C)OC1=O)O2

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1006835
FYIcenter.com

106107  0  0  1  0  0  0  0  0999 V2000
   22.5493    1.6054    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.0952    0.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.0034    0.3452    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7901    6.3734    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   41.9478    8.3199    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   48.0384    8.3922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.8703    5.1857    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.0070    2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0917    2.6645    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.4502    4.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6484    4.3780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7206    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3780    2.1077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.0595    3.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.0391    3.3133    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7732    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.3254    2.7565    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.1121    3.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9865    3.9621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.8258    3.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2728    3.4054    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.1647    4.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9339    4.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.8784    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.2173    5.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2203    4.0542    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.9310    4.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8813    5.2598    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.2699    5.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.9835    5.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1677    4.7030    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.3224    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8288    5.9086    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.0361    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1151    5.3518    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.3750    7.2064    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7762    6.5576    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.1867    8.9983    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.8327    9.7311    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.1375    6.8318    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0625    6.0007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2073   11.4936    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2466    1.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.8520    1.1517    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5428    4.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3334    5.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7652    5.4890    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5556    4.6102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7830    1.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3157    1.7625    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5840    4.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1792    4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.9193    4.0010    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5146    4.2996    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2487    1.7703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6534    2.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4451    2.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8499    1.7703    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6366    4.9484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2318    4.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8667    4.6499    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4620    4.9484    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1576    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9409    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.3013    2.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.7060    2.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3925    2.7176    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7973    2.4191    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1022    4.9562    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8141    5.2987    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.4094    5.5972    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.3539    3.0679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.7585    3.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.7418    6.2462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.3369    5.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3399    3.3665    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7448    3.0679    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.4065    3.7167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8111    4.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.7615    5.9475    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3568    6.2462    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   39.7944    6.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.3895    6.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.4590    4.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.8637    4.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.6202    7.1208    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2873    4.0153    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6922    3.7167    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.1527    7.3050    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7089    6.5965    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3043    6.8951    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.5116    5.0144    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.9163    5.3129    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2347    4.6641    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6396    4.3655    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6564    7.2453    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2517    7.5439    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.8853    8.6651    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.2192    9.5568    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.9118   10.0203    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7173    7.0632    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    5.6556    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4077    4.9383    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   48.3000   11.2613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.4395   12.5862    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.1147   11.7258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  8  1  0  0  0  0
  1  9  1  0  0  0  0
 12  2  1  1  0  0  0
  2 63  1  0  0  0  0
 13  3  1  6  0  0  0
  3 64  1  0  0  0  0
 22  4  1  6  0  0  0
  4 86  1  0  0  0  0
 32  5  1  1  0  0  0
  5 98  1  0  0  0  0
  6 39  1  0  0  0  0
  6 40  1  0  0  0  0
  7 40  2  0  0  0  0
  8 10  1  0  0  0  0
  8 12  1  0  0  0  0
  8 43  1  1  0  0  0
  9 11  1  0  0  0  0
  9 13  1  0  0  0  0
  9 44  1  6  0  0  0
 10 11  1  0  0  0  0
 10 45  1  0  0  0  0
 10 46  1  0  0  0  0
 11 47  1  0  0  0  0
 11 48  1  0  0  0  0
 12 14  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
 14 52  1  0  0  0  0
 15 17  1  0  0  0  0
 15 53  1  0  0  0  0
 15 54  1  0  0  0  0
 16 18  1  0  0  0  0
 16 55  1  0  0  0  0
 16 56  1  0  0  0  0
 17 19  1  0  0  0  0
 17 57  1  0  0  0  0
 17 58  1  0  0  0  0
 18 20  1  0  0  0  0
 18 59  1  0  0  0  0
 18 60  1  0  0  0  0
 19 21  1  0  0  0  0
 19 61  1  0  0  0  0
 19 62  1  0  0  0  0
 20 22  1  0  0  0  0
 20 65  1  0  0  0  0
 20 66  1  0  0  0  0
 21 23  1  0  0  0  0
 21 67  1  0  0  0  0
 21 68  1  0  0  0  0
 22 24  1  0  0  0  0
 22 69  1  0  0  0  0
 23 26  1  0  0  0  0
 23 70  1  0  0  0  0
 23 71  1  0  0  0  0
 24 25  1  0  0  0  0
 24 72  1  0  0  0  0
 24 73  1  0  0  0  0
 25 27  1  0  0  0  0
 25 74  1  0  0  0  0
 25 75  1  0  0  0  0
 26 28  1  0  0  0  0
 26 76  1  0  0  0  0
 26 77  1  0  0  0  0
 27 29  1  0  0  0  0
 27 78  1  0  0  0  0
 27 79  1  0  0  0  0
 28 31  1  0  0  0  0
 28 80  1  0  0  0  0
 28 81  1  0  0  0  0
 29 30  1  0  0  0  0
 29 82  1  0  0  0  0
 29 83  1  0  0  0  0
 30 32  1  0  0  0  0
 30 84  1  0  0  0  0
 30 85  1  0  0  0  0
 31 33  1  0  0  0  0
 31 87  1  0  0  0  0
 31 88  1  0  0  0  0
 32 34  1  0  0  0  0
 32 89  1  0  0  0  0
 33 35  1  0  0  0  0
 33 90  1  0  0  0  0
 33 91  1  0  0  0  0
 34 36  1  0  0  0  0
 34 92  1  0  0  0  0
 34 93  1  0  0  0  0
 35 37  1  0  0  0  0
 35 94  1  0  0  0  0
 35 95  1  0  0  0  0
 36 38  2  0  0  0  0
 36 40  1  0  0  0  0
 37 41  1  0  0  0  0
 37 96  1  0  0  0  0
 37 97  1  0  0  0  0
 38 39  1  0  0  0  0
 38 99  1  0  0  0  0
 39 42  1  6  0  0  0
 39100  1  0  0  0  0
 41101  1  0  0  0  0
 41102  1  0  0  0  0
 41103  1  0  0  0  0
 42104  1  0  0  0  0
 42105  1  0  0  0  0
 42106  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006835-3D
FYIcenter.com

106107  0  0  1  0  0  0  0  0999 V2000
   25.7398   -1.9592  -28.4447 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7803   -2.8023  -27.1803 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5201   -1.9445  -25.9487 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5608   -2.7875  -24.6823 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2983   -1.9250  -23.4557 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3421   -2.7718  -22.1940 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0799   -1.9090  -20.9717 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1247   -2.7582  -19.7140 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.8616   -1.8899  -18.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9035   -2.7334  -17.2379 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6295   -1.8642  -16.0211 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6678   -2.7240  -14.7729 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4110   -1.9104  -13.4968 C   0  0  1  0  0  0  0  0  0  0  0  0
   23.1162   -1.3263  -13.5101 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5969   -2.8314  -12.2947 C   0  0  3  0  0  0  0  0  0  0  0  0
   24.3636   -2.1997  -10.9342 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.3418   -2.9570  -10.0625 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5165   -3.1561  -11.0057 C   0  0  3  0  0  0  0  0  0  0  0  0
   27.3897   -4.4035  -10.7880 C   0  0  2  0  0  0  0  0  0  0  0  0
   28.4631   -4.3881  -11.7397 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5992   -5.6944  -10.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4303   -6.9638  -10.7671 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5207   -8.1330  -11.0879 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.9856   -9.5587  -10.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7809  -10.4927  -11.1307 C   0  0  2  0  0  0  0  0  0  0  0  0
   26.1840  -11.8418  -10.9372 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1890  -10.3164  -12.5497 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9314  -11.1395  -12.7947 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.3875  -10.9599  -14.2162 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.1665  -11.8538  -14.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5186  -11.7417  -15.7258 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2929  -12.6555  -15.7843 C   0  0  1  0  0  0  0  0  0  0  0  0
   19.4025  -12.2393  -14.7520 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.6722  -12.5919  -17.1818 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5073  -13.4904  -17.3678 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.3622  -14.4981  -18.2134 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0144  -15.0945  -18.1025 C   0  0  2  0  0  0  0  0  0  0  0  0
   16.1885  -14.8750  -19.3558 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4102  -14.3713  -17.0278 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.2333  -13.3602  -16.6370 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9651  -12.4808  -15.8463 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9588   -3.2765  -12.3226 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.9264   -2.5798  -29.3180 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4999   -1.1713  -28.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.7593   -1.4825  -28.5532 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.7591   -3.2855  -27.1169 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0297   -3.5929  -27.2485 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5426   -1.4570  -26.0357 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2725   -1.1448  -25.8824 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5392   -3.2732  -24.5881 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8093   -3.5840  -24.7395 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3177   -1.4412  -23.5414 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0489   -1.1278  -23.3910 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3223   -3.2567  -22.1020 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.5912   -3.5700  -22.2522 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.0988   -1.4250  -21.0586 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8311   -1.1114  -20.9084 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1047   -3.2425  -19.6229 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.3736   -3.5556  -19.7732 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.8807   -1.4080  -18.5871 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6118   -1.0922  -18.4366 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.8850   -3.2167  -17.1448 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1559   -3.5347  -17.3006 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6509   -1.3809  -16.1196 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.3846   -1.0719  -15.9515 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6482   -3.2151  -14.7230 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9163   -3.5194  -14.8616 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1487   -1.0997  -13.4478 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4686   -2.0277  -13.7097 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.9527   -3.7168  -12.3941 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.3259   -2.2995  -10.5989 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.6206   -1.1362  -10.9451 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.8877   -3.9028   -9.7510 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.6203   -2.4128   -9.1559 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1477   -2.2614  -11.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8346   -4.3823   -9.7969 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.0507   -4.3951  -12.6277 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.2049   -5.7251  -12.0337 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7230   -5.7189  -10.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7891   -6.9935   -9.7345 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2933   -6.9777  -11.4416 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.3371   -8.0405  -12.1617 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.5655   -7.9967  -10.5646 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3565   -9.7169   -9.8296 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.8265   -9.8087  -11.5135 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0022  -10.2831  -10.3865 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8897  -12.0343  -11.5781 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9464  -10.5854  -13.2912 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9041   -9.2731  -12.7283 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1458  -10.8282  -12.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1317  -12.1993  -12.6126 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1405  -11.2192  -14.9698 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.0988   -9.9154  -14.3893 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4408  -11.5715  -13.5827 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.4438  -12.8983  -14.1665 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2387  -12.0058  -16.5093 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.2116  -10.7009  -15.8902 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5948  -13.6855  -15.5556 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.6049  -11.8212  -15.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.4454  -12.8746  -17.9091 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3749  -11.5643  -17.4165 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.1194  -14.8314  -18.9086 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0731  -16.1555  -17.8405 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0771  -13.8033  -19.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1776  -15.2688  -19.2140 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6409  -15.3579  -20.2258 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 43  1  0  0  0  0
  1 44  1  0  0  0  0
  1 45  1  0  0  0  0
  2  3  1  0  0  0  0
  2 46  1  0  0  0  0
  2 47  1  0  0  0  0
  3  4  1  0  0  0  0
  3 48  1  0  0  0  0
  3 49  1  0  0  0  0
  4  5  1  0  0  0  0
  4 50  1  0  0  0  0
  4 51  1  0  0  0  0
  5  6  1  0  0  0  0
  5 52  1  0  0  0  0
  5 53  1  0  0  0  0
  6  7  1  0  0  0  0
  6 54  1  0  0  0  0
  6 55  1  0  0  0  0
  7  8  1  0  0  0  0
  7 56  1  0  0  0  0
  7 57  1  0  0  0  0
  8  9  1  0  0  0  0
  8 58  1  0  0  0  0
  8 59  1  0  0  0  0
  9 10  1  0  0  0  0
  9 60  1  0  0  0  0
  9 61  1  0  0  0  0
 10 11  1  0  0  0  0
 10 62  1  0  0  0  0
 10 63  1  0  0  0  0
 11 12  1  0  0  0  0
 11 64  1  0  0  0  0
 11 65  1  0  0  0  0
 12 13  1  0  0  0  0
 12 66  1  0  0  0  0
 12 67  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 13 68  1  1  0  0  0
 14 69  1  0  0  0  0
 15 16  1  0  0  0  0
 15 42  1  0  0  0  0
 15 70  1  0  0  0  0
 16 17  1  0  0  0  0
 16 71  1  0  0  0  0
 16 72  1  0  0  0  0
 17 18  1  0  0  0  0
 17 73  1  0  0  0  0
 17 74  1  0  0  0  0
 18 42  1  0  0  0  0
 18 75  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 76  1  1  0  0  0
 20 77  1  0  0  0  0
 21 22  1  0  0  0  0
 21 78  1  0  0  0  0
 21 79  1  0  0  0  0
 22 23  1  0  0  0  0
 22 80  1  0  0  0  0
 22 81  1  0  0  0  0
 23 24  1  0  0  0  0
 23 82  1  0  0  0  0
 23 83  1  0  0  0  0
 24 84  1  0  0  0  0
 24 85  1  0  0  0  0
 25 27  1  0  0  0  0
 25 26  1  0  0  0  0
 25 24  1  0  0  0  0
 25 86  1  1  0  0  0
 26 87  1  0  0  0  0
 27 28  1  0  0  0  0
 27 88  1  0  0  0  0
 27 89  1  0  0  0  0
 28 29  1  0  0  0  0
 28 90  1  0  0  0  0
 28 91  1  0  0  0  0
 29 30  1  0  0  0  0
 29 92  1  0  0  0  0
 29 93  1  0  0  0  0
 30 31  1  0  0  0  0
 30 94  1  0  0  0  0
 30 95  1  0  0  0  0
 31 32  1  0  0  0  0
 31 96  1  0  0  0  0
 31 97  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32 98  1  1  0  0  0
 33 99  1  0  0  0  0
 34 35  1  0  0  0  0
 34100  1  0  0  0  0
 34101  1  0  0  0  0
 35 36  2  0  0  0  0
 35 40  1  0  0  0  0
 36 37  1  0  0  0  0
 36102  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  1  0  0  0  0
 37103  1  1  0  0  0
 38104  1  0  0  0  0
 38105  1  0  0  0  0
 38106  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  2  0  0  0  0
M  END
$$$$