Molecule Editor

Molecule ID: FYI-1006888 Edit

Molecule Structure InChIKey: GFUJWCRMULHYHE-QOCHGBHMSA-N

Molecule Structure SMILES String: CCCCCCCCCCCC/C=C\CCC(O)C(O)CCCCCCCCCCCCC1=CC(C)OC1=O

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1006888
FYIcenter.com

103103  0  0  0  0  0  0  0  0999 V2000
   18.3514   23.6233    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9605   25.6807    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.5442    0.5698    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7700    1.0808    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.1197   19.1752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1968   20.6579    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8651   17.5008    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4515   22.3321    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7878   16.0181    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5287   23.8150    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5332   14.3439    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4561   12.8612    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7834   25.4892    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2015   11.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.1242    9.7042    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8605   26.9719    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8697    8.0298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4879   35.7265    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7925    6.5471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7425   37.4007    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.3106   35.5350    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9197   37.5924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1151   28.6463    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0561   33.8606    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1743   39.2666    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8788   33.6691    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5378    4.8729    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3517   39.4583    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6242   31.9948    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.1924   30.1289    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6063   41.1325    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4605    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4470   31.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7834   41.3240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6278    3.3902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0615    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0269    1.6471    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0381   42.9984    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3184    1.0808    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3304   19.9926    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1777   18.5398    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9862   19.8405    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1389   21.2933    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6545   16.6834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8071   18.1362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6621   23.1495    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5094   21.6967    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9985   16.8355    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.8458   15.3827    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9910   22.7769    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3226   13.5265    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4752   14.9793    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6667   13.6786    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5141   12.2258    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3211   26.5272    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9908   10.3695    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.1435   11.8223    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3348   10.5216    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1822    9.0688    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6498   26.1545    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8025   27.6073    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.6589    7.2126    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8118    8.6654    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3853   35.4516    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5673   34.5929    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0031    7.3645    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8504    5.9117    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8451   37.6756    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6632   38.5342    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4131   35.8099    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2314   36.6685    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8173   37.3175    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9990   36.4588    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3257   29.4637    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1731   28.0108    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9535   33.5857    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1353   32.7270    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2769   39.5415    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0951   40.4002    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9814   33.9440    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.7994   34.8026    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3272    4.0555    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4799    5.5083    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2491   39.1834    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4308   38.3248    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5216   31.7199    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7035   30.8613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0192   24.5426    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3224   30.0102    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7087   41.4074    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5269   42.2661    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4985   26.7188    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1148   32.7224    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6810   41.0491    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8628   40.1905    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9600    4.3095    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8837    0.5247    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0761   43.4605    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5758   44.0365    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   42.5362    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9672    2.1613    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.2378    0.7296    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6695    0.0000    0.0000 H   0  0  0  0  0  0  0  0  0  0  0  0
  1 10  1  0  0  0  0
  1 88  1  0  0  0  0
  2 13  1  0  0  0  0
  2 92  1  0  0  0  0
  3 36  1  0  0  0  0
  3 37  1  0  0  0  0
  4 37  2  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5 40  1  0  0  0  0
  5 41  1  0  0  0  0
  6  8  1  0  0  0  0
  6 42  1  0  0  0  0
  6 43  1  0  0  0  0
  7  9  1  0  0  0  0
  7 44  1  0  0  0  0
  7 45  1  0  0  0  0
  8 10  1  0  0  0  0
  8 46  1  0  0  0  0
  8 47  1  0  0  0  0
  9 11  1  0  0  0  0
  9 48  1  0  0  0  0
  9 49  1  0  0  0  0
 10 13  1  0  0  0  0
 10 50  1  0  0  0  0
 11 12  1  0  0  0  0
 11 51  1  0  0  0  0
 11 52  1  0  0  0  0
 12 14  1  0  0  0  0
 12 53  1  0  0  0  0
 12 54  1  0  0  0  0
 13 16  1  0  0  0  0
 13 55  1  0  0  0  0
 14 15  1  0  0  0  0
 14 56  1  0  0  0  0
 14 57  1  0  0  0  0
 15 17  1  0  0  0  0
 15 58  1  0  0  0  0
 15 59  1  0  0  0  0
 16 23  1  0  0  0  0
 16 60  1  0  0  0  0
 16 61  1  0  0  0  0
 17 19  1  0  0  0  0
 17 62  1  0  0  0  0
 17 63  1  0  0  0  0
 18 20  1  0  0  0  0
 18 21  1  0  0  0  0
 18 64  1  0  0  0  0
 18 65  1  0  0  0  0
 19 27  1  0  0  0  0
 19 66  1  0  0  0  0
 19 67  1  0  0  0  0
 20 22  1  0  0  0  0
 20 68  1  0  0  0  0
 20 69  1  0  0  0  0
 21 24  1  0  0  0  0
 21 70  1  0  0  0  0
 21 71  1  0  0  0  0
 22 25  1  0  0  0  0
 22 72  1  0  0  0  0
 22 73  1  0  0  0  0
 23 30  1  0  0  0  0
 23 74  1  0  0  0  0
 23 75  1  0  0  0  0
 24 26  1  0  0  0  0
 24 76  1  0  0  0  0
 24 77  1  0  0  0  0
 25 28  1  0  0  0  0
 25 78  1  0  0  0  0
 25 79  1  0  0  0  0
 26 29  1  0  0  0  0
 26 80  1  0  0  0  0
 26 81  1  0  0  0  0
 27 32  1  0  0  0  0
 27 82  1  0  0  0  0
 27 83  1  0  0  0  0
 28 31  1  0  0  0  0
 28 84  1  0  0  0  0
 28 85  1  0  0  0  0
 29 33  1  0  0  0  0
 29 86  1  0  0  0  0
 29 87  1  0  0  0  0
 30 33  2  0  0  0  0
 30 89  1  0  0  0  0
 31 34  1  0  0  0  0
 31 90  1  0  0  0  0
 31 91  1  0  0  0  0
 32 35  2  0  0  0  0
 32 37  1  0  0  0  0
 33 93  1  0  0  0  0
 34 38  1  0  0  0  0
 34 94  1  0  0  0  0
 34 95  1  0  0  0  0
 35 36  1  0  0  0  0
 35 96  1  0  0  0  0
 36 39  1  0  0  0  0
 36 97  1  0  0  0  0
 38 98  1  0  0  0  0
 38 99  1  0  0  0  0
 38100  1  0  0  0  0
 39101  1  0  0  0  0
 39102  1  0  0  0  0
 39103  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1006888-3D
FYIcenter.com

103103  0  0  1  0  0  0  0  0999 V2000
    3.0984   -8.8381  -14.9966 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1016   -9.3257  -13.9687 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9576   -8.1674  -13.4809 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9638   -8.6525  -12.4509 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8165   -7.4919  -11.9693 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8205   -7.9773  -10.9411 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6704   -6.8196  -10.4587 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6761   -7.3085   -9.4308 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5234   -6.1490   -8.9512 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5312   -6.6315   -7.9259 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3755   -5.4622   -7.4541 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3783   -5.9435   -6.4312 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2389   -4.8216   -5.9343 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1839   -5.0239   -5.0164 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4536   -6.3816   -4.4440 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8670   -6.8309   -4.7398 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.8583   -5.8620   -4.1128 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.6454   -5.8148   -2.7081 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.2772   -6.2920   -4.4216 C   0  0  3  0  0  0  0  0  0  0  0  0
   19.4426   -6.3102   -5.8316 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.2764   -5.3486   -3.7736 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6933   -5.7896   -4.0848 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6779   -4.8421   -3.4300 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.0934   -5.2844   -3.7429 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.0822   -4.3388   -3.0901 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.4988   -4.7795   -3.4044 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.4884   -3.8333   -2.7510 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.9060   -4.2732   -3.0647 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8988   -3.3297   -2.4126 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3175   -3.7732   -2.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.3063   -2.8289   -2.0759 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.7367   -3.2422   -2.3866 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6748   -2.3127   -1.7319 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5793   -2.6189   -0.7972 C   0  0  0  0  0  0  0  0  0  0  0  0
   36.3762   -1.4418   -0.4271 C   0  0  3  0  0  0  0  0  0  0  0  0
   36.0219   -0.9443    0.9613 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.9641   -0.4477   -1.3775 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.8331   -0.8800   -2.0073 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0846   -0.1876   -2.6920 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4830   -9.6678  -15.3481 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6122   -8.3971  -15.8573 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4413   -8.0771  -14.5627 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7371  -10.0994  -14.4134 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.5716   -9.7809  -13.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3208   -7.3915  -13.0384 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4858   -7.7100  -14.3265 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6038   -9.4270  -12.8904 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4390   -9.1061  -11.6014 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1782   -6.7161  -11.5287 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3428   -7.0370  -12.8174 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4603   -8.7539  -11.3810 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2951   -8.4354  -10.0926 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0316   -6.0451  -10.0168 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1954   -6.3620  -11.3061 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3154   -8.0831   -9.8732 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1507   -7.7657   -8.5826 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8836   -5.3753   -8.5078 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0472   -5.6911   -9.8001 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1705   -7.4066   -8.3673 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0089   -7.0890   -7.0761 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7341   -4.6911   -7.0122 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8992   -5.0108   -8.3046 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0088   -6.7183   -6.8843 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8400   -6.3933   -5.5875 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0773   -3.8161   -6.3283 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7785   -4.1759   -4.6829 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7656   -7.1237   -4.8559 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.2816   -6.3664   -3.3623 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0187   -6.8977   -5.8254 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.0156   -7.8354   -4.3229 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7014   -4.8543   -4.5099 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.8590   -6.6967   -2.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.4469   -7.3079   -4.0504 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.3675   -5.4021   -6.1763 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1289   -5.3294   -2.6871 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.1234   -4.3278   -4.1460 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8592   -5.8025   -5.1683 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.8531   -6.8106   -3.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5196   -4.8280   -2.3447 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5140   -3.8215   -3.7972 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2493   -5.2981   -4.8286 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2549   -6.3061   -3.3777 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9259   -4.3265   -2.0046 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9183   -3.3173   -3.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6540   -4.7922   -4.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6616   -5.8014   -3.0402 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3318   -3.8211   -1.6654 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.3241   -2.8118   -3.1154 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0604   -4.2862   -4.1505 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0682   -5.2949   -2.6999 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7430   -3.3166   -1.3269 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.7344   -2.3071   -2.7758 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4700   -3.7855   -3.8137 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.4798   -4.7938   -2.3604 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1504   -2.8113   -0.9907 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1223   -1.8128   -2.4425 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.9116   -3.2269   -3.4703 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.9170   -4.2717   -2.0585 H   0  0  0  0  0  0  0  0  0  0  0  0
   35.7180   -3.6110   -0.3963 H   0  0  0  0  0  0  0  0  0  0  0  0
   37.4454   -1.6504   -0.5261 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9717   -0.6335    1.0062 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.6207   -0.0624    1.2083 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.1916   -1.7162    1.7179 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 40  1  0  0  0  0
  1 41  1  0  0  0  0
  1 42  1  0  0  0  0
  2  3  1  0  0  0  0
  2 43  1  0  0  0  0
  2 44  1  0  0  0  0
  3  4  1  0  0  0  0
  3 45  1  0  0  0  0
  3 46  1  0  0  0  0
  4  5  1  0  0  0  0
  4 47  1  0  0  0  0
  4 48  1  0  0  0  0
  5  6  1  0  0  0  0
  5 49  1  0  0  0  0
  5 50  1  0  0  0  0
  6  7  1  0  0  0  0
  6 51  1  0  0  0  0
  6 52  1  0  0  0  0
  7  8  1  0  0  0  0
  7 53  1  0  0  0  0
  7 54  1  0  0  0  0
  8  9  1  0  0  0  0
  8 55  1  0  0  0  0
  8 56  1  0  0  0  0
  9 10  1  0  0  0  0
  9 57  1  0  0  0  0
  9 58  1  0  0  0  0
 10 11  1  0  0  0  0
 10 59  1  0  0  0  0
 10 60  1  0  0  0  0
 11 12  1  0  0  0  0
 11 61  1  0  0  0  0
 11 62  1  0  0  0  0
 12 13  1  0  0  0  0
 12 63  1  0  0  0  0
 12 64  1  0  0  0  0
 13 14  2  0  0  0  0
 13 65  1  0  0  0  0
 14 15  1  0  0  0  0
 14 66  1  0  0  0  0
 15 16  1  0  0  0  0
 15 67  1  0  0  0  0
 15 68  1  0  0  0  0
 16 17  1  0  0  0  0
 16 69  1  0  0  0  0
 16 70  1  0  0  0  0
 17 18  1  0  0  0  0
 17 19  1  0  0  0  0
 17 71  1  0  0  0  0
 18 72  1  0  0  0  0
 19 20  1  0  0  0  0
 19 21  1  0  0  0  0
 19 73  1  0  0  0  0
 20 74  1  0  0  0  0
 21 22  1  0  0  0  0
 21 75  1  0  0  0  0
 21 76  1  0  0  0  0
 22 23  1  0  0  0  0
 22 77  1  0  0  0  0
 22 78  1  0  0  0  0
 23 24  1  0  0  0  0
 23 79  1  0  0  0  0
 23 80  1  0  0  0  0
 24 25  1  0  0  0  0
 24 81  1  0  0  0  0
 24 82  1  0  0  0  0
 25 26  1  0  0  0  0
 25 83  1  0  0  0  0
 25 84  1  0  0  0  0
 26 27  1  0  0  0  0
 26 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  2  0  0  0  0
 33 38  1  0  0  0  0
 34 35  1  0  0  0  0
 34 99  1  0  0  0  0
 35 36  1  0  0  0  0
 35 37  1  0  0  0  0
 35100  1  0  0  0  0
 36101  1  0  0  0  0
 36102  1  0  0  0  0
 36103  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  2  0  0  0  0
M  END
$$$$