Molecule Editor

Molecule ID: FYI-1014169 Edit

Molecule Structure InChIKey: KIRLUKRWQSTURL-UHFFFAOYSA-N

Molecule Structure SMILES String: F[B-](F)(F)F.F[B-](F)(F)F.C=C[Pd](c2n(c1c(C(C)C)cccc1C(C)C)cc[n+]2c3c(C(C)C)cccc3C(C)C)[n+]8ccc(c7cc[n+]([Pd](C=C)c5n(c4c(C(C)C)cccc4C(C)C)cc[n+]5c6c(C(C)C)cccc6C(C)C)cc7)cc8

Download SDF Download SVG Structure in 2D SDF:

FYI-1014169
FYIcenter.com

 86 91  0  0  0  0  0  0  0  0999 V2000
   11.1354    9.1625    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.0411    8.0832    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
   11.5593    6.7593    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.5230    9.4072    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.4286    8.3279    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   12.8011   15.2997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   13.5055   14.0795    0.0000 B   0  5  0  0  0  0  0  0  0  0  0  0
   12.8011   12.8593    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.2100   15.2997    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
   14.9145   14.0795    0.0000 F   0  0  0  0  0  0  0  0  0  0  0  0
    6.1273    6.1975    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1636    7.6743    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2637    8.2995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8357    8.2224    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8285    9.6240    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5845   10.2854    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    9.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4388    8.1307    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2440    7.3841    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.0455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2931    5.9760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6828    7.4693    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7320    6.0612    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.6217    5.1937    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1036    3.8698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5117    3.9190    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    4.9001    5.2733    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2215    5.7327    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    7.3450    4.9431    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6273    5.3315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5483    7.1147    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    7.7927    7.6246    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0373    9.0122    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9580    9.9178    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6341    9.4359    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4899    8.1212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2027   11.3053    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5267   11.7872    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7713   13.1748    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7764   14.0795    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.4376   13.4956    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.1234   12.2110    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9419   15.4899    0.0000 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    9.2677   15.8476    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3399   15.0441    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8574   16.3736    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9557   17.7791    0.0000 N   0  3  0  0  0  0  0  0  0  0  0  0
    5.6493   18.3068    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7437   17.2276    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4902   16.0327    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9624   14.7263    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5673   14.5302    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0395   13.2239    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9068   12.1137    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3021   12.3097    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7883   13.6243    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2235   13.6851    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0350   12.7066    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6945   15.0853    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6999   15.6405    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2277   16.9468    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3046   15.4444    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1504   18.5257    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3945   17.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5893   18.6109    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5401   20.0189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2961   20.6804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1013   19.9338    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8573   20.5952    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8081   22.0033    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6624   19.8486    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4536   16.4902    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2972   15.8642    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6877   15.7947    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3792    2.8087    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8514    1.5024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7188    0.3921    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1140    0.5882    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6418    1.8946    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7744    3.0048    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2998    4.2757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6974    4.5073    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4273    5.2595    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4561    1.3063    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5887    2.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9283    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  1  0  0  0  0
  4  2  1  0  0  0  0
  5  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  7  1  0  0  0  0
 10  7  1  0  0  0  0
 12 11  1  0  0  0  0
 13 12  1  0  0  0  0
 14 12  1  0  0  0  0
 15 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 16  2  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 19  1  0  0  0  0
 22 18  2  0  0  0  0
 22 14  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  2  0  0  0  0
 26 25  1  0  0  0  0
 27 26  2  0  0  0  0
 27 23  1  0  0  0  0
 28 27  1  0  0  0  0
 29 28  1  0  0  0  0
 30 29  2  0  0  0  0
 31 28  1  0  0  0  0
 32 31  2  0  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 34  1  0  0  0  0
 36 35  2  0  0  0  0
 36 31  1  0  0  0  0
 37 34  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 42 37  1  0  0  0  0
 43 40  1  0  0  0  0
 44 43  1  0  0  0  0
 45 44  2  0  0  0  0
 46 43  1  0  0  0  0
 47 46  2  0  0  0  0
 48 47  1  0  0  0  0
 49 48  2  0  0  0  0
 50 49  1  0  0  0  0
 50 46  1  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 54  1  0  0  0  0
 56 55  2  0  0  0  0
 56 51  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  0  0  0  0
 59 57  1  0  0  0  0
 60 52  1  0  0  0  0
 61 60  1  0  0  0  0
 62 60  1  0  0  0  0
 63 47  1  0  0  0  0
 64 63  2  0  0  0  0
 65 64  1  0  0  0  0
 66 65  2  0  0  0  0
 67 66  1  0  0  0  0
 68 67  2  0  0  0  0
 68 63  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 69  1  0  0  0  0
 72 64  1  0  0  0  0
 73 72  1  0  0  0  0
 74 72  1  0  0  0  0
 75 26  1  0  0  0  0
 76 75  2  0  0  0  0
 77 76  1  0  0  0  0
 78 77  2  0  0  0  0
 79 78  1  0  0  0  0
 80 79  2  0  0  0  0
 80 75  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  1  0  0  0  0
 83 81  1  0  0  0  0
 84 76  1  0  0  0  0
 85 84  1  0  0  0  0
 86 84  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1014169-3D
FYIcenter.com

172177  0  0  0  0  0  0  0  0999 V2000
   -0.0563   -2.0597   -1.3140 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.2506   -1.4362   -1.3814 B   0  5  0  0  0  0  0  0  0  0  0  0
    2.1846   -2.1649   -0.5409 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.7277   -1.4526   -2.7551 F   0  0  0  0  0  0  0  0  0  0  0  0
    1.1308   -0.0677   -0.9140 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.0140    1.1002   -3.4300 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.9802    0.8748   -2.3750 B   0  5  0  0  0  0  0  0  0  0  0  0
    3.3072    1.1080   -1.1375 F   0  0  0  0  0  0  0  0  0  0  0  0
    4.4698   -0.4948   -2.4187 F   0  0  0  0  0  0  0  0  0  0  0  0
    5.0887    1.8042   -2.4877 F   0  0  0  0  0  0  0  0  0  0  0  0
    3.1640    3.3127    0.3923 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8030    2.6632    1.5074 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0542    1.5137    2.9946 Pd  0  0  0  0  0  0  0  0  0  0  0  0
    2.3103    1.1302    3.6855 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4859    2.1477    4.2212 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6073    3.6819    4.3006 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8360    4.4995    3.9865 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2654    4.0688    3.7049 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0498    4.7498    2.5444 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1653    3.5862    4.8358 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7589    5.8861    3.8278 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6127    6.5709    3.9964 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5058    5.9265    4.4507 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4488    4.5312    4.6725 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8732    4.0659    5.3263 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5793    5.1126    6.2288 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8969    3.5509    4.3002 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4491    1.3981    4.6749 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6346    0.0742    4.4477 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8220   -0.1800    3.8512 N   0  3  0  0  0  0  0  0  0  0  0  0
    2.2980   -1.5709    3.3527 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5092   -2.8055    3.4446 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.2080   -2.9607    4.1798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9333   -2.5856    3.2177 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0248   -4.3679    4.7580 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9029   -3.9895    2.7468 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   -4.0699    1.9860 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8080   -3.0167    1.9324 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.5440   -1.8202    2.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5536   -0.8305    2.3781 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0111   -1.3950    2.2435 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0207   -0.1707    1.0982 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8954    1.6608    2.2395 N   0  3  0  0  0  0  0  0  0  0  0  0
    6.3813    1.7989    0.9807 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6346    1.3325    0.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3688    0.7701    1.8438 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5929    0.1087    1.7100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2681    0.6695    0.7655 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4722    0.3349    0.6412 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2313   -0.5660    1.4575 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.4539   -0.7886    1.2467 Pd  0  0  0  0  0  0  0  0  0  0  0  0
   15.5930   -1.9796    2.5804 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0104   -2.6682    3.5567 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0888    0.1793   -0.2472 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0863   -0.5722   -0.7757 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.5394   -1.9456   -0.5935 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6605   -3.1053   -0.3648 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1238   -3.0960   -0.3299 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4859   -2.8343   -1.6949 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.3426   -4.2482    0.3628 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2467   -4.3602   -0.1925 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.6084   -4.5393   -0.3030 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4464   -3.4724   -0.5790 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9556   -2.1679   -0.7116 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9931   -1.0327   -0.9303 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.9435   -0.9425    0.2560 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7726   -1.1758   -2.2530 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4455    0.1061   -1.8942 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.7736    1.2685   -2.0173 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.9232    1.4105   -0.9963 N   0  3  0  0  0  0  0  0  0  0  0  0
   14.9259    2.5725   -0.8817 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8206    3.8121   -1.6463 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8537    4.2731   -2.6576 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5556    5.6736   -3.2282 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2433    4.3723   -1.9961 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6711    4.6734   -1.4421 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6970    4.4215   -0.5128 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8360    3.3359    0.2618 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9223    2.4579    0.0556 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9236    1.2627    0.7297 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6490    0.0929   -0.6502 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8846    1.2782    2.0371 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5007   -1.2465    2.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1385   -0.9257    2.5248 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9199    0.8187    3.1180 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6711    1.2372    3.2842 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4100    3.8316   -0.2002 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1676    3.3509    0.0189 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7394    2.7172    1.7147 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0149    3.2890    3.2530 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6006    5.6418    2.8708 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3746    5.0332    1.7144 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.8001    4.0667    2.1046 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5442    4.3914    5.4774 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0857    3.2262    4.3733 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7040    2.7436    5.4034 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6088    6.4837    3.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6039    7.6343    3.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3253    6.5796    4.6162 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5926    3.3543    6.1247 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0050    5.9596    5.6564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8740    5.4985    6.9984 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4396    4.6497    6.7572 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2641    4.3928    3.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7608    3.0970    4.8356 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4794    2.7947    3.6090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4464    1.6696    5.1531 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1498   -0.5724    4.7457 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3015   -2.4210    5.1316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8844   -3.2357    2.3142 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8497   -1.5403    2.8530 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9169   -2.7253    3.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2555   -5.1206    3.9793 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8965   -4.3474    5.4371 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8761   -4.6830    5.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3451   -4.8984    2.7249 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2789   -4.9539    1.4231 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6325   -3.1756    1.2712 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5784   -0.2987    3.3422 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2793   -2.1703    1.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4513   -1.6703    3.2296 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5776   -0.6846    1.7169 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.3920   -0.7094    0.2118 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2925    0.8327    0.9321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9192   -0.0366    1.1071 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7985    2.0922    0.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9558    1.3027   -0.2994 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9272    1.5109    0.1371 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7865    1.0313   -0.0856 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6794   -1.9830    2.5014 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.9379   -2.6658    3.6408 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5989   -3.2360    4.2728 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.9409   -2.3304    0.3136 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.6750   -3.6791   -2.3779 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8910   -1.9108   -2.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3770   -2.7419   -1.5920 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2372   -5.1343   -0.2938 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3083   -3.8936    0.6031 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7870   -4.5447    1.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.6446   -5.2347    0.0033 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.0148   -5.5305   -0.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.5021   -3.6693   -0.6712 H   0  0  0  0  0  0  0  0  0  0  0  0
   19.5532   -0.0257   -0.9484 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4732   -1.9001    0.4153 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.3576   -0.6864    1.1648 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.6937   -0.1417    0.0828 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4248   -2.0704   -2.2463 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4134   -0.2773   -2.4062 H   0  0  0  0  0  0  0  0  0  0  0  0
   20.0904   -1.2382   -3.1277 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.1183   -0.2447   -2.6593 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8798    1.9036   -2.8686 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8395    3.5662   -3.5080 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4928    6.4035   -2.3829 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5996    5.6773   -3.7947 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.3560    6.0104   -3.9072 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.2671    5.1845   -1.2431 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.9948    4.5648   -2.7878 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5701    3.4750   -1.4503 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4622    5.5729   -1.9871 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8288    5.0603   -0.3852 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0501    3.1398    0.9923 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1581    1.4247    1.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2348    0.1008   -1.5755 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.8033    0.0988   -1.3688 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4926   -0.9580   -0.4036 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.9576    1.0565    1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5237    0.5504    2.8215 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8180    2.2377    2.6003 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9570   -1.9818    3.0068 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5471   -1.4212    3.2750 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4853    0.4225    3.9587 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2650    1.0886    4.2677 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2  5  1  0  0  0  0
  6  7  1  0  0  0  0
  7  8  1  0  0  0  0
  7  9  1  0  0  0  0
  7 10  1  0  0  0  0
 11 12  2  0  0  0  0
 11 87  1  0  0  0  0
 11 88  1  0  0  0  0
 12 13  1  0  0  0  0
 12 89  1  0  0  0  0
 13 14  1  0  0  0  0
 13 43  1  0  0  0  0
 14 15  1  0  0  0  0
 14 30  2  0  0  0  0
 15 16  1  0  0  0  0
 15 28  1  0  0  0  0
 16 17  1  0  0  0  0
 16 24  2  0  0  0  0
 17 18  1  0  0  0  0
 17 21  2  0  0  0  0
 18 19  1  0  0  0  0
 18 20  1  0  0  0  0
 18 90  1  0  0  0  0
 19 91  1  0  0  0  0
 19 92  1  0  0  0  0
 19 93  1  0  0  0  0
 20 94  1  0  0  0  0
 20 95  1  0  0  0  0
 20 96  1  0  0  0  0
 21 22  1  0  0  0  0
 21 97  1  0  0  0  0
 22 23  2  0  0  0  0
 22 98  1  0  0  0  0
 23 24  1  0  0  0  0
 23 99  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  1  0  0  0  0
 25 27  1  0  0  0  0
 25100  1  0  0  0  0
 26101  1  0  0  0  0
 26102  1  0  0  0  0
 26103  1  0  0  0  0
 27104  1  0  0  0  0
 27105  1  0  0  0  0
 27106  1  0  0  0  0
 28 29  2  0  0  0  0
 28107  1  0  0  0  0
 29 30  1  0  0  0  0
 29108  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 39  2  0  0  0  0
 32 33  1  0  0  0  0
 32 36  2  0  0  0  0
 33 34  1  0  0  0  0
 33 35  1  0  0  0  0
 33109  1  0  0  0  0
 34110  1  0  0  0  0
 34111  1  0  0  0  0
 34112  1  0  0  0  0
 35113  1  0  0  0  0
 35114  1  0  0  0  0
 35115  1  0  0  0  0
 36 37  1  0  0  0  0
 36116  1  0  0  0  0
 37 38  2  0  0  0  0
 37117  1  0  0  0  0
 38 39  1  0  0  0  0
 38118  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 42  1  0  0  0  0
 40119  1  0  0  0  0
 41120  1  0  0  0  0
 41121  1  0  0  0  0
 41122  1  0  0  0  0
 42123  1  0  0  0  0
 42124  1  0  0  0  0
 42125  1  0  0  0  0
 43 44  1  0  0  0  0
 43 86  2  0  0  0  0
 44 45  2  0  0  0  0
 44126  1  0  0  0  0
 45 46  1  0  0  0  0
 45127  1  0  0  0  0
 46 47  1  0  0  0  0
 46 85  2  0  0  0  0
 47 48  1  0  0  0  0
 47 84  2  0  0  0  0
 48 49  2  0  0  0  0
 48128  1  0  0  0  0
 49 50  1  0  0  0  0
 49129  1  0  0  0  0
 50 51  1  0  0  0  0
 50 83  2  0  0  0  0
 51 52  1  0  0  0  0
 51 54  1  0  0  0  0
 52 53  2  0  0  0  0
 52130  1  0  0  0  0
 53131  1  0  0  0  0
 53132  1  0  0  0  0
 54 55  1  0  0  0  0
 54 70  2  0  0  0  0
 55 56  1  0  0  0  0
 55 68  1  0  0  0  0
 56 57  1  0  0  0  0
 56 64  2  0  0  0  0
 57 58  1  0  0  0  0
 57 61  2  0  0  0  0
 58 59  1  0  0  0  0
 58 60  1  0  0  0  0
 58133  1  0  0  0  0
 59134  1  0  0  0  0
 59135  1  0  0  0  0
 59136  1  0  0  0  0
 60137  1  0  0  0  0
 60138  1  0  0  0  0
 60139  1  0  0  0  0
 61 62  1  0  0  0  0
 61140  1  0  0  0  0
 62 63  2  0  0  0  0
 62141  1  0  0  0  0
 63 64  1  0  0  0  0
 63142  1  0  0  0  0
 64 65  1  0  0  0  0
 65 66  1  0  0  0  0
 65 67  1  0  0  0  0
 65143  1  0  0  0  0
 66144  1  0  0  0  0
 66145  1  0  0  0  0
 66146  1  0  0  0  0
 67147  1  0  0  0  0
 67148  1  0  0  0  0
 67149  1  0  0  0  0
 68 69  2  0  0  0  0
 68150  1  0  0  0  0
 69 70  1  0  0  0  0
 69151  1  0  0  0  0
 70 71  1  0  0  0  0
 71 72  1  0  0  0  0
 71 79  2  0  0  0  0
 72 73  1  0  0  0  0
 72 76  2  0  0  0  0
 73 74  1  0  0  0  0
 73 75  1  0  0  0  0
 73152  1  0  0  0  0
 74153  1  0  0  0  0
 74154  1  0  0  0  0
 74155  1  0  0  0  0
 75156  1  0  0  0  0
 75157  1  0  0  0  0
 75158  1  0  0  0  0
 76 77  1  0  0  0  0
 76159  1  0  0  0  0
 77 78  2  0  0  0  0
 77160  1  0  0  0  0
 78 79  1  0  0  0  0
 78161  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 82  1  0  0  0  0
 80162  1  0  0  0  0
 81163  1  0  0  0  0
 81164  1  0  0  0  0
 81165  1  0  0  0  0
 82166  1  0  0  0  0
 82167  1  0  0  0  0
 82168  1  0  0  0  0
 83 84  1  0  0  0  0
 83169  1  0  0  0  0
 84170  1  0  0  0  0
 85 86  1  0  0  0  0
 85171  1  0  0  0  0
 86172  1  0  0  0  0
M  END
$$$$