Molecule Editor

Molecule ID: FYI-1010331 Edit

Molecule Structure InChIKey: AABZZWPMCAZHFC-UHFFFAOYSA-N

Molecule Structure SMILES String: C=C(NC(=O)C(=C)NC(=O)c%11csc(c9ccc8c%10nc(C(=O)NC(CC(N)=O)c1nc(cs1)C(=O)NC(Cc2ccccc2)C3=NC(CS3)C(=O)NC(Cc4ccc(O)cc4)C(=O)N5C(O)CC(C)C5c6nc(cs6)c7nc(cs7)c8n9)c(C)o%10)n%11)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1010331
FYIcenter.com

 90100  0  0  0  0  0  0  0  0999 V2000
   16.7591    2.1922    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1191    2.2708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9820    1.2168    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.2510    1.7119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.1724    3.0717    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8547    3.4172    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2398    3.9977    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.0438    5.3458    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7012    5.5758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0675    4.3700    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0185    3.3947    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1616    7.2049    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8496    8.5308    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.8300    9.8929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3130    9.0275    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4798    7.6755    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   15.1035   11.2273    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6575   12.4717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8569   13.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5021   13.4314    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9481   12.1869    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7488   11.0849    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.5934   12.0446    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6818   13.0568    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.4375   12.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.5798   11.1481    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9123   10.8649    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.2578   13.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.2578   14.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.0782   12.5028    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.8984   13.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8984   14.5461    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187   12.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7187   11.1406    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5391   13.1839    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594   12.5028    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3594   11.1406    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797   13.1839    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1797   14.5461    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   12.5028    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.4662   13.5679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4915   14.4648    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.6856   15.1201    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2105   16.0550    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0942   15.2743    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.1796   17.4167    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.9928   15.5034    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7530   16.8443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.3518   15.5967    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.6990   15.3958    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.9717   14.9100    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1101   14.1619    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.0610   13.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5672   14.8580    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5163   15.7249    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   26.7801   12.0297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0080   12.6194    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.2336   10.7452    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.4005    9.3933    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2727    8.0372    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8565    6.7401    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1711    5.5629    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9171    5.5223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4711    6.7668    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.2487    4.5605    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1455    3.5351    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.1324    3.7798    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   22.8745    3.2574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.5335    3.0176    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.6268    1.6587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.2578    1.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5814    1.6288    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9647    0.3216    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2885    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2288    0.9855    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.8455    2.2927    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.5217    2.6143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.5525    0.6639    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7625    9.4130    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.4264   10.6024    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7885   10.6220    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.4525   11.8115    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.7544   12.9812    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3924   12.9614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.7284   11.7721    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0445   16.7136    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.0761   17.6715    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.7623   17.3119    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4215   18.9891    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.3974    0.9761    0.0000 O   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  3  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11 10  1  0  0  0  0
 11  7  1  0  0  0  0
 12  9  1  0  0  0  0
 13 12  2  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
 16 12  1  0  0  0  0
 17 14  1  0  0  0  0
 18 17  2  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 22 17  1  0  0  0  0
 23 21  1  0  0  0  0
 24 23  2  0  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 26  1  0  0  0  0
 27 23  1  0  0  0  0
 28 25  1  0  0  0  0
 29 28  2  0  0  0  0
 30 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 31  2  0  0  0  0
 33 31  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  2  0  0  0  0
 38 36  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 18  1  0  0  0  0
 42 41  2  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 45 41  1  0  0  0  0
 46 44  1  0  0  0  0
 47 43  1  0  0  0  0
 48 47  2  0  0  0  0
 49 47  1  0  0  0  0
 50 49  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
 55 51  1  0  0  0  0
 56 53  1  0  0  0  0
 57 56  2  0  0  0  0
 58 56  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  2  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 64 60  1  0  0  0  0
 65 62  1  0  0  0  0
 66 65  2  0  0  0  0
 67 65  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 69  5  1  0  0  0  0
 70 69  2  0  0  0  0
 71 68  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  2  0  0  0  0
 74 73  1  0  0  0  0
 75 74  2  0  0  0  0
 76 75  1  0  0  0  0
 77 76  2  0  0  0  0
 77 72  1  0  0  0  0
 78 75  1  0  0  0  0
 79 59  1  0  0  0  0
 80 79  1  0  0  0  0
 81 80  2  0  0  0  0
 82 81  1  0  0  0  0
 83 82  2  0  0  0  0
 84 83  1  0  0  0  0
 85 84  2  0  0  0  0
 85 80  1  0  0  0  0
 86 50  1  0  0  0  0
 87 86  1  0  0  0  0
 88 87  2  0  0  0  0
 89 87  1  0  0  0  0
 90  4  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010331-3D
FYIcenter.com

142152  0  0  1  0  0  0  0  0999 V2000
   10.0727    7.1828   -6.8309 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3223    7.1496   -5.7120 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1410    7.8781   -5.7071 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1933    8.0255   -4.7175 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    7.5307   -3.5995 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9412    8.7937   -5.0881 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9592    9.7505   -6.0306 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8133    8.5108   -4.3302 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5015    8.6160   -4.7613 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1664    8.8449   -5.9212 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4879    8.3803   -3.7248 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2989    7.7180   -3.9492 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3949    7.6303   -2.4939 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.4505    8.8065   -1.7640 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9668    9.7434   -0.6757 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3190   10.1070   -0.7482 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6399   11.2270   -0.0367 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1939   12.0311    0.8693 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0112   12.8639    1.5124 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6460   13.9199    0.9558 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0575   13.6591    0.9619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1722   14.5595    0.5394 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3502   14.2355    0.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6819   15.8120    0.5368 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3543   17.1039    0.6342 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.8299   17.3829    2.0652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7315   17.3955    3.1093 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0715   16.2278    3.3324 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4689   18.3871    3.7731 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2559   18.0198    0.1128 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1396   17.5011   -0.3488 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3284   18.4563   -0.8947 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7917   19.7574   -0.6915 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3487   19.7176    0.0612 S   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0576   18.0639   -1.5849 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6108   18.9096   -2.1752 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2817   16.7223   -1.4572 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.6398   16.2941   -1.8343 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.7179   16.9653   -0.9116 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6977   16.6071    0.5309 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8513   16.0877    1.1055 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9243   15.9034    2.4871 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.8070   16.0589    3.2923 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6523   16.5839    2.7353 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6192   16.9032    1.3754 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0027   14.7847   -2.1094 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8579   13.7594   -1.3254 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.3982   12.4654   -1.9880 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5032   12.6896   -3.4799 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7598   14.4603   -3.6692 S   0  0  0  0  0  0  0  0  0  0  0  0
    3.7663   11.8853   -1.2834 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6798   12.6985   -1.1073 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8956   10.4755   -0.9942 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.0415    9.4313    0.4087 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.2637    9.5337    2.0616 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8622    9.7432    2.7494 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8579    8.7715    2.6000 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4422    8.9120    3.2060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7160   10.0589    3.9361 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9578   10.2693    4.4587 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2599   11.0305    4.1554 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5439   10.8468    3.6067 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5531    7.9999    0.1872 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4310    7.4441   -0.9123 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4199    7.4615    1.1457 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5159    7.5590    2.6258 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3957    6.9261    3.2007 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7218    6.6856    3.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1107    6.0317    1.6809 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.1926    4.8048    1.4145 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.7759    7.1344    0.6667 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.5458    8.4837    0.7926 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1978    9.3898    1.7005 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2446   10.6777    1.1759 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4266   10.7896    0.4233 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6342    9.1000   -0.3832 S   0  0  0  0  0  0  0  0  0  0  0  0
    5.9149   11.7199    1.3964 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6155   11.3658    1.3178 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.3239   12.2429    1.3895 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8885   13.1738    2.2521 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8802   13.3975    1.6327 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.6583   11.7186    0.8545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.8537   10.5316    0.0779 N   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3336   12.4801    1.6040 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6886   11.8706    1.8560 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1032   11.9617    2.0067 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5626    8.9701   -2.4663 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.8885    6.2899   -4.6100 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.7203    5.4150   -4.8273 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.5184    6.5828   -3.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7994    7.7532   -7.7113 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.0106    6.6336   -6.9025 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9160    8.3001   -6.5995 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8471   10.0466   -6.5763 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0765   10.3464   -6.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9680    8.0227   -3.4448 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9541    7.2721   -4.8725 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0504    9.6629   -1.4072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6805   11.5044   -0.2126 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6817   15.8978    0.4792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2180   17.0923   -0.0382 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5758   16.6377    2.3792 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3331   18.3552    2.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0028   15.5222    2.6141 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2970   16.2683    3.9773 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3324   20.6829   -0.9616 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2763   16.1410   -0.8454 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7718   16.7813   -2.8102 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6590   18.0335   -1.0049 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6966   16.6833   -1.3571 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6907   15.8001    0.4742 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8382   15.5200    2.9315 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8456   15.7628    4.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7893   16.7748    3.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7396   17.4044    0.9943 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5966   11.7448   -1.8893 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5430   12.4602   -3.9617 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2841   12.0893   -3.9441 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3831    9.9453   -1.6730 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0761    9.7038    0.5590 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9558   10.0446    2.7518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3741    8.5176    2.3744 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0534    7.8791    2.0197 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1508    8.1418    3.0160 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5478    9.5658    4.1360 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0017   11.9433    4.6992 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2673   11.6319    3.8134 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6059    8.5843    3.0059 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9401    6.5231    2.4506 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4696    5.9544    3.7905 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5550    7.2891    3.3927 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1558    5.7124    1.6760 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.1307    5.0749    1.3331 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2545    4.0701    2.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4518    4.3248    0.4673 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7730    6.7767   -0.3684 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4535   11.0199    0.7030 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2051   12.9926    3.2732 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3991   12.6497    2.1906 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7319   11.0876    2.6074 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1414   11.4930    0.9225 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6968    7.1193   -3.2997 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  2  0  0  0  0
  1 91  1  0  0  0  0
  1 92  1  0  0  0  0
  2  3  1  0  0  0  0
  2 88  1  0  0  0  0
  3  4  1  0  0  0  0
  3 93  1  0  0  0  0
  4  5  2  0  0  0  0
  4  6  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  7 94  1  0  0  0  0
  7 95  1  0  0  0  0
  8  9  1  0  0  0  0
  8 96  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11 12  2  0  0  0  0
 11 87  1  0  0  0  0
 12 13  1  0  0  0  0
 12 97  1  0  0  0  0
 13 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14 87  2  0  0  0  0
 15 16  1  0  0  0  0
 15 83  2  0  0  0  0
 16 17  2  0  0  0  0
 16 98  1  0  0  0  0
 17 18  1  0  0  0  0
 17 99  1  0  0  0  0
 18 19  1  0  0  0  0
 18 82  2  0  0  0  0
 19 20  2  0  0  0  0
 19 86  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 84  2  0  0  0  0
 22 23  2  0  0  0  0
 22 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24100  1  0  0  0  0
 25 26  1  0  0  0  0
 25 30  1  0  0  0  0
 25101  1  0  0  0  0
 26 27  1  0  0  0  0
 26102  1  0  0  0  0
 26103  1  0  0  0  0
 27 28  1  0  0  0  0
 27 29  2  0  0  0  0
 28104  1  0  0  0  0
 28105  1  0  0  0  0
 30 31  2  0  0  0  0
 30 34  1  0  0  0  0
 31 32  1  0  0  0  0
 32 33  2  0  0  0  0
 32 35  1  0  0  0  0
 33 34  1  0  0  0  0
 33106  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 38  1  0  0  0  0
 37107  1  0  0  0  0
 38 39  1  0  0  0  0
 38 46  1  0  0  0  0
 38108  1  0  0  0  0
 39 40  1  0  0  0  0
 39109  1  0  0  0  0
 39110  1  0  0  0  0
 40 41  1  0  0  0  0
 40 45  2  0  0  0  0
 41 42  2  0  0  0  0
 41111  1  0  0  0  0
 42 43  1  0  0  0  0
 42112  1  0  0  0  0
 43 44  2  0  0  0  0
 43113  1  0  0  0  0
 44 45  1  0  0  0  0
 44114  1  0  0  0  0
 45115  1  0  0  0  0
 46 47  2  0  0  0  0
 46 50  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 51  1  0  0  0  0
 48116  1  0  0  0  0
 49 50  1  0  0  0  0
 49117  1  0  0  0  0
 49118  1  0  0  0  0
 51 52  2  0  0  0  0
 51 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53119  1  0  0  0  0
 54 55  1  0  0  0  0
 54 63  1  0  0  0  0
 54120  1  0  0  0  0
 55 56  1  0  0  0  0
 55121  1  0  0  0  0
 55122  1  0  0  0  0
 56 57  1  0  0  0  0
 56 62  2  0  0  0  0
 57 58  2  0  0  0  0
 57123  1  0  0  0  0
 58 59  1  0  0  0  0
 58124  1  0  0  0  0
 59 60  1  0  0  0  0
 59 61  2  0  0  0  0
 60125  1  0  0  0  0
 61 62  1  0  0  0  0
 61126  1  0  0  0  0
 62127  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 65 71  1  0  0  0  0
 66 67  1  0  0  0  0
 66 68  1  0  0  0  0
 66128  1  0  0  0  0
 67129  1  0  0  0  0
 68 69  1  0  0  0  0
 68130  1  0  0  0  0
 68131  1  0  0  0  0
 69 70  1  0  0  0  0
 69 71  1  0  0  0  0
 69132  1  0  0  0  0
 70133  1  0  0  0  0
 70134  1  0  0  0  0
 70135  1  0  0  0  0
 71 72  1  0  0  0  0
 71136  1  0  0  0  0
 72 73  2  0  0  0  0
 72 76  1  0  0  0  0
 73 74  1  0  0  0  0
 74 75  2  0  0  0  0
 74 77  1  0  0  0  0
 75 76  1  0  0  0  0
 75137  1  0  0  0  0
 77 78  2  0  0  0  0
 77 81  1  0  0  0  0
 78 79  1  0  0  0  0
 79 80  2  0  0  0  0
 79 82  1  0  0  0  0
 80 81  1  0  0  0  0
 80138  1  0  0  0  0
 82 83  1  0  0  0  0
 84 85  1  0  0  0  0
 84 86  1  0  0  0  0
 85139  1  0  0  0  0
 85140  1  0  0  0  0
 85141  1  0  0  0  0
 88 89  2  0  0  0  0
 88 90  1  0  0  0  0
 90142  1  0  0  0  0
M  END
$$$$