Molecule Editor

Molecule ID: FYI-1011556 Edit

Molecule Structure InChIKey: DLNRMPLOFNVUTQ-WIKVCOJLSA-N

Molecule Structure SMILES String: C/C(C)=C\CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CC/C(C)=C/CO

Download SDF Download SVG Structure in 2D SDF:

FYI-1011556
FYIcenter.com

 71 70  0  0  0  0  0  0  0  0999 V2000
   67.8964    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.6840    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   65.4716    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   64.2590    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   63.0466    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.8342    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.6218    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.4093    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.1969    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.9845    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.7721    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   54.5596    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.3472    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.1348    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.9224    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.7098    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   48.4974    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2850    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.0726    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.8601    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.6477    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4353    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2229    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.0103    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.7979    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3731    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.1606    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3108    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4611    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6114    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.5855    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.4353    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.2850    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   52.1348    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   56.9845    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   61.8342    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   66.6840    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  1  0  0  0  0
 31 30  2  0  0  0  0
 32 31  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 35  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  2  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 43  1  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 47  1  0  0  0  0
 49 48  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  2  0  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  2  0  0  0  0
 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 58 54  1  0  0  0  0
 59 50  1  0  0  0  0
 60 46  1  0  0  0  0
 61 42  1  0  0  0  0
 62 38  1  0  0  0  0
 63 34  1  0  0  0  0
 64 30  1  0  0  0  0
 65 26  1  0  0  0  0
 66 22  1  0  0  0  0
 67 18  1  0  0  0  0
 68 14  1  0  0  0  0
 69 10  1  0  0  0  0
 70  6  1  0  0  0  0
 71  2  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1011556-3D
FYIcenter.com

185184  0  0  0  0  0  0  0  0999 V2000
    0.7199   10.9596  -11.7117 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2181   10.9882  -11.7444 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9188   12.2800  -11.4567 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8952    9.8589  -12.0296 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3909    9.8516  -12.0706 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0062    8.5025  -12.4064 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5144    8.5328  -12.4387 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2796    9.8134  -12.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1747    7.3986  -12.7245 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6623    7.3813  -12.7680 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2735    6.0389  -13.1022 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7804    6.0831  -13.1302 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5516    7.3632  -12.8516 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4442    4.9507  -13.4137 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9305    4.9335  -13.4625 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5379    3.5873  -13.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0432    3.6281  -13.8286 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8118    4.9076  -13.5461 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7087    2.4924  -14.1150 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1915    2.4753  -14.1578 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7952    1.1292  -14.4933 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3011    1.1690  -14.5242 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0695    2.4534  -14.2444 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9508    0.0351  -14.8105 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.4491    0.0175  -14.8569 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0664   -1.3242  -15.1909 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.5723   -1.2747  -15.2211 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3362    0.0051  -14.9399 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2360   -2.4114  -15.5086 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.7223   -2.4301  -15.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.3369   -3.7757  -15.8938 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8497   -3.7291  -15.9266 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5920   -2.4422  -15.6374 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5327   -4.8553  -16.2048 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.0325   -4.9263  -16.2231 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5763   -5.2807  -17.6016 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.0837   -5.2855  -17.5970 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.8230   -4.0046  -17.2880 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7570   -6.4203  -17.8536 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.2534   -6.4747  -17.8450 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.7944   -7.8666  -18.1439 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3013   -7.8692  -18.1521 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.0352   -7.4915  -16.8892 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.9753   -8.1915  -19.2702 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.4731   -8.2074  -19.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.0272   -8.6404  -20.6637 C   0  0  0  0  0  0  0  0  0  0  0  0
   40.5340   -8.6295  -20.6577 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2613   -9.5319  -19.6923 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.2120   -7.8242  -21.4949 C   0  0  0  0  0  0  0  0  0  0  0  0
   42.7087   -7.7887  -21.5209 C   0  0  0  0  0  0  0  0  0  0  0  0
   43.2623   -6.8282  -22.5665 C   0  0  0  0  0  0  0  0  0  0  0  0
   44.7699   -6.8177  -22.5449 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5053   -8.1012  -22.8419 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.4423   -5.6875  -22.2600 C   0  0  0  0  0  0  0  0  0  0  0  0
   46.9401   -5.6436  -22.2335 C   0  0  0  0  0  0  0  0  0  0  0  0
   47.4925   -4.2577  -21.9233 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.0000   -4.2683  -21.8954 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.7418   -4.6497  -23.1522 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.6645   -3.9489  -20.7705 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.1616   -3.9399  -20.7126 C   0  0  0  0  0  0  0  0  0  0  0  0
   51.7033   -3.5100  -19.3548 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.2112   -3.5280  -19.3391 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.9533   -2.6299  -20.2985 C   0  0  0  0  0  0  0  0  0  0  0  0
   53.8778   -4.3381  -18.4967 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.3748   -4.3875  -18.4583 C   0  0  0  0  0  0  0  0  0  0  0  0
   55.9233   -5.3777  -17.4345 C   0  0  0  0  0  0  0  0  0  0  0  0
   57.4355   -5.3673  -17.4205 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.1592   -5.7480  -18.6871 C   0  0  0  0  0  0  0  0  0  0  0  0
   58.1206   -5.0340  -16.3081 C   0  0  0  0  0  0  0  0  0  0  0  0
   59.6182   -5.0050  -16.2037 C   0  0  0  0  0  0  0  0  0  0  0  0
   60.0541   -3.6964  -15.8647 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.3049   11.9433  -11.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3671   10.2520  -10.9531 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3216   10.6631  -12.6885 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2170   13.0936  -11.2455 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5262   12.5914  -12.3126 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5715   12.1817  -10.5833 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3769    8.9288  -12.2363 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7602   10.1660  -11.0854 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7145   10.5787  -12.8271 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6351    8.1687  -13.3843 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6802    7.7613  -11.6648 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6642   10.6847  -11.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8892   10.0925  -13.0215 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9343    9.6816  -11.2873 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6273    6.4800  -12.9279 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.0293    7.6951  -11.7819 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9835    8.1082  -13.5257 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9059    5.7030  -14.0813 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9531    5.2963  -12.3596 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9305    8.2317  -12.6291 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1541    7.6418  -13.7182 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2020    7.2316  -11.9859 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9016    4.0331  -13.6190 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3017    5.2465  -12.4785 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2514    5.6584  -14.2221 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1669    3.2544  -14.7773 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.2124    2.8465  -13.0562 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1940    5.7773  -13.3240 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4181    5.1889  -14.4139 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4638    4.7772  -12.6755 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1681    1.5724  -14.3192 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5626    2.7881  -13.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5162    3.2003  -14.9160 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4215    0.7965  -15.4699 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.4679    0.3879  -13.7512 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4611    3.3227  -14.0209 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.6806    2.7266  -15.1145 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.7270    2.3170  -13.3766 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4184   -0.8865  -15.0139 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8172    0.3324  -13.8716 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7687    0.7443  -15.6151 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6975   -1.6600  -16.1692 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.7451   -2.0668  -14.4485 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.7160    0.8738  -14.7175 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9425    0.2882  -15.8071 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9906   -0.1222  -14.0708 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.6939   -3.3310  -15.7102 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0917   -2.1170  -14.5701 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0421   -1.7026  -16.3131 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.9599   -4.1100  -16.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0125   -4.5154  -15.1493 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9678   -1.5769  -15.4177 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1999   -2.1576  -16.5032 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2344   -2.5688  -14.7596 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.9921   -5.7785  -16.4028 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3588   -5.6515  -15.4711 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4670   -3.9721  -15.9172 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2214   -4.5724  -18.3617 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.1856   -6.2651  -17.8915 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1522   -3.1620  -17.1041 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4710   -3.7233  -18.1244 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.4420   -4.1303  -16.3916 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2117   -7.3370  -18.0654 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6027   -6.1511  -16.8578 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.6415   -5.7697  -18.5909 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4042   -8.1955  -19.1171 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.4338   -8.5922  -17.4054 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.3609   -7.2513  -16.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.6640   -6.6100  -17.0641 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.6725   -8.3162  -16.5540 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.4330   -8.4562  -20.1754 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8272   -8.8950  -18.5360 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.8504   -7.2047  -19.0742 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6406   -7.9618  -21.4367 H   0  0  0  0  0  0  0  0  0  0  0  0
   38.6713   -9.6434  -20.9267 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.5847  -10.1294  -19.0773 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.8846   -8.9385  -19.0125 H   0  0  0  0  0  0  0  0  0  0  0  0
   41.9048  -10.2324  -20.2348 H   0  0  0  0  0  0  0  0  0  0  0  0
   40.6684   -7.1764  -22.1786 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.0698   -8.8024  -21.7270 H   0  0  0  0  0  0  0  0  0  0  0  0
   43.0788   -7.4923  -20.5310 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.8682   -5.8224  -22.3659 H   0  0  0  0  0  0  0  0  0  0  0  0
   42.9140   -7.1030  -23.5690 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.8337   -8.9353  -23.0566 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.1248   -8.3915  -21.9848 H   0  0  0  0  0  0  0  0  0  0  0  0
   46.1532   -7.9779  -23.7160 H   0  0  0  0  0  0  0  0  0  0  0  0
   44.8925   -4.7734  -22.0436 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.3057   -5.9715  -23.2129 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.3068   -6.3533  -21.4809 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.0925   -3.9290  -20.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
   47.1472   -3.5282  -22.6649 H   0  0  0  0  0  0  0  0  0  0  0  0
   49.0745   -4.8866  -23.9837 H   0  0  0  0  0  0  0  0  0  0  0  0
   50.3662   -5.5332  -22.9724 H   0  0  0  0  0  0  0  0  0  0  0  0
   50.3850   -3.8271  -23.4812 H   0  0  0  0  0  0  0  0  0  0  0  0
   49.1120   -3.6783  -19.8727 H   0  0  0  0  0  0  0  0  0  0  0  0
   51.5254   -3.2528  -21.4848 H   0  0  0  0  0  0  0  0  0  0  0  0
   51.5361   -4.9440  -20.9488 H   0  0  0  0  0  0  0  0  0  0  0  0
   51.3029   -4.1858  -18.5869 H   0  0  0  0  0  0  0  0  0  0  0  0
   51.3492   -2.5049  -19.0977 H   0  0  0  0  0  0  0  0  0  0  0  0
   53.2850   -2.0316  -20.9220 H   0  0  0  0  0  0  0  0  0  0  0  0
   54.5789   -3.2272  -20.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   54.5943   -1.9316  -19.7511 H   0  0  0  0  0  0  0  0  0  0  0  0
   53.3180   -4.9860  -17.8255 H   0  0  0  0  0  0  0  0  0  0  0  0
   55.7554   -3.3856  -18.2237 H   0  0  0  0  0  0  0  0  0  0  0  0
   55.7313   -4.6583  -19.4584 H   0  0  0  0  0  0  0  0  0  0  0  0
   55.5665   -6.3913  -17.6537 H   0  0  0  0  0  0  0  0  0  0  0  0
   55.5264   -5.1166  -16.4442 H   0  0  0  0  0  0  0  0  0  0  0  0
   57.4827   -6.0010  -19.5066 H   0  0  0  0  0  0  0  0  0  0  0  0
   58.7917   -6.6247  -18.5123 H   0  0  0  0  0  0  0  0  0  0  0  0
   58.7875   -4.9158  -19.0255 H   0  0  0  0  0  0  0  0  0  0  0  0
   57.5766   -4.7811  -15.3968 H   0  0  0  0  0  0  0  0  0  0  0  0
   60.1213   -5.2963  -17.1298 H   0  0  0  0  0  0  0  0  0  0  0  0
   59.9431   -5.7000  -15.4249 H   0  0  0  0  0  0  0  0  0  0  0  0
   59.8477   -3.1125  -16.6156 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 72  1  0  0  0  0
  1 73  1  0  0  0  0
  1 74  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  2  0  0  0  0
  3 75  1  0  0  0  0
  3 76  1  0  0  0  0
  3 77  1  0  0  0  0
  4  5  1  0  0  0  0
  4 78  1  0  0  0  0
  5  6  1  0  0  0  0
  5 79  1  0  0  0  0
  5 80  1  0  0  0  0
  6  7  1  0  0  0  0
  6 81  1  0  0  0  0
  6 82  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  2  0  0  0  0
  8 83  1  0  0  0  0
  8 84  1  0  0  0  0
  8 85  1  0  0  0  0
  9 10  1  0  0  0  0
  9 86  1  0  0  0  0
 10 11  1  0  0  0  0
 10 87  1  0  0  0  0
 10 88  1  0  0  0  0
 11 12  1  0  0  0  0
 11 89  1  0  0  0  0
 11 90  1  0  0  0  0
 12 13  1  0  0  0  0
 12 14  2  0  0  0  0
 13 91  1  0  0  0  0
 13 92  1  0  0  0  0
 13 93  1  0  0  0  0
 14 15  1  0  0  0  0
 14 94  1  0  0  0  0
 15 16  1  0  0  0  0
 15 95  1  0  0  0  0
 15 96  1  0  0  0  0
 16 17  1  0  0  0  0
 16 97  1  0  0  0  0
 16 98  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  2  0  0  0  0
 18 99  1  0  0  0  0
 18100  1  0  0  0  0
 18101  1  0  0  0  0
 19 20  1  0  0  0  0
 19102  1  0  0  0  0
 20 21  1  0  0  0  0
 20103  1  0  0  0  0
 20104  1  0  0  0  0
 21 22  1  0  0  0  0
 21105  1  0  0  0  0
 21106  1  0  0  0  0
 22 23  1  0  0  0  0
 22 24  2  0  0  0  0
 23107  1  0  0  0  0
 23108  1  0  0  0  0
 23109  1  0  0  0  0
 24 25  1  0  0  0  0
 24110  1  0  0  0  0
 25 26  1  0  0  0  0
 25111  1  0  0  0  0
 25112  1  0  0  0  0
 26 27  1  0  0  0  0
 26113  1  0  0  0  0
 26114  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28115  1  0  0  0  0
 28116  1  0  0  0  0
 28117  1  0  0  0  0
 29 30  1  0  0  0  0
 29118  1  0  0  0  0
 30 31  1  0  0  0  0
 30119  1  0  0  0  0
 30120  1  0  0  0  0
 31 32  1  0  0  0  0
 31121  1  0  0  0  0
 31122  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  2  0  0  0  0
 33123  1  0  0  0  0
 33124  1  0  0  0  0
 33125  1  0  0  0  0
 34 35  1  0  0  0  0
 34126  1  0  0  0  0
 35 36  1  0  0  0  0
 35127  1  0  0  0  0
 35128  1  0  0  0  0
 36 37  1  0  0  0  0
 36129  1  0  0  0  0
 36130  1  0  0  0  0
 37 38  1  0  0  0  0
 37 39  2  0  0  0  0
 38131  1  0  0  0  0
 38132  1  0  0  0  0
 38133  1  0  0  0  0
 39 40  1  0  0  0  0
 39134  1  0  0  0  0
 40 41  1  0  0  0  0
 40135  1  0  0  0  0
 40136  1  0  0  0  0
 41 42  1  0  0  0  0
 41137  1  0  0  0  0
 41138  1  0  0  0  0
 42 43  1  0  0  0  0
 42 44  2  0  0  0  0
 43139  1  0  0  0  0
 43140  1  0  0  0  0
 43141  1  0  0  0  0
 44 45  1  0  0  0  0
 44142  1  0  0  0  0
 45 46  1  0  0  0  0
 45143  1  0  0  0  0
 45144  1  0  0  0  0
 46 47  1  0  0  0  0
 46145  1  0  0  0  0
 46146  1  0  0  0  0
 47 48  1  0  0  0  0
 47 49  2  0  0  0  0
 48147  1  0  0  0  0
 48148  1  0  0  0  0
 48149  1  0  0  0  0
 49 50  1  0  0  0  0
 49150  1  0  0  0  0
 50 51  1  0  0  0  0
 50151  1  0  0  0  0
 50152  1  0  0  0  0
 51 52  1  0  0  0  0
 51153  1  0  0  0  0
 51154  1  0  0  0  0
 52 53  1  0  0  0  0
 52 54  2  0  0  0  0
 53155  1  0  0  0  0
 53156  1  0  0  0  0
 53157  1  0  0  0  0
 54 55  1  0  0  0  0
 54158  1  0  0  0  0
 55 56  1  0  0  0  0
 55159  1  0  0  0  0
 55160  1  0  0  0  0
 56 57  1  0  0  0  0
 56161  1  0  0  0  0
 56162  1  0  0  0  0
 57 58  1  0  0  0  0
 57 59  2  0  0  0  0
 58163  1  0  0  0  0
 58164  1  0  0  0  0
 58165  1  0  0  0  0
 59 60  1  0  0  0  0
 59166  1  0  0  0  0
 60 61  1  0  0  0  0
 60167  1  0  0  0  0
 60168  1  0  0  0  0
 61 62  1  0  0  0  0
 61169  1  0  0  0  0
 61170  1  0  0  0  0
 62 63  1  0  0  0  0
 62 64  2  0  0  0  0
 63171  1  0  0  0  0
 63172  1  0  0  0  0
 63173  1  0  0  0  0
 64 65  1  0  0  0  0
 64174  1  0  0  0  0
 65 66  1  0  0  0  0
 65175  1  0  0  0  0
 65176  1  0  0  0  0
 66 67  1  0  0  0  0
 66177  1  0  0  0  0
 66178  1  0  0  0  0
 67 68  1  0  0  0  0
 67 69  2  0  0  0  0
 68179  1  0  0  0  0
 68180  1  0  0  0  0
 68181  1  0  0  0  0
 69 70  1  0  0  0  0
 69182  1  0  0  0  0
 70 71  1  0  0  0  0
 70183  1  0  0  0  0
 70184  1  0  0  0  0
 71185  1  0  0  0  0
M  END
$$$$