Molecule FYI-1001050

A

Molecule Summary:

ID: FYI-1001050
SMILES: C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(O)=O

Received at FYIcenter.com on: 2021-11-09

Molecule ID: FYI-1001050 Edit

Molecule Structure SMILES String: C[C@@H](O)[C@@H]1NC(=O)[C@H](CC2=CC=C(O)C=C2)NC(=O)[C@@H]2CCCN2C(=O)CNC(=O)CC[C@H](NC(=O)[C@H](CC(O)=O)NC(=O)[C@H](CC2=CC=CC=C2)NC(=O)[C@H](CC(O)=O)NC(=O)CNC(=O)[C@H](CC2=CC=CC=C2)NC1=O)C(O)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1001050
FYIcenter.com

 81 85  0  0  1  0  0  0  0  0999 V2000
   18.4420   13.0671    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3894   13.9901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.6626   15.3632    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.0637   13.5401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.4860   14.8153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.6705   15.9533    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7230   16.8764    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6487   16.9103    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5009   18.0210    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.9652   19.3144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8174   20.4252    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2817   21.7186    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8936   21.9013    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3579   23.1948    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.0414   20.7906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5771   19.4972    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4598   17.6496    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.1495   18.1428    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5118   19.4950    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7682   18.3708    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1570   19.7158    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9981   20.5012    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8930   19.6416    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3690   18.3250    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.0055   18.0071    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5556   19.3328    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.7303   17.4293    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5924   16.6138    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6353   15.5920    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.5247   16.4443    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.8960   14.4031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4029   13.0929    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1749   11.7116    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2206   10.3123    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5386    8.9489    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2129    8.4988    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163    7.6737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    6.9737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039    5.5737    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1163    4.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.6914    4.8737    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9318    6.5357    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.9536    5.5786    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1014    4.4680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.1425    4.8393    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5233    3.5837    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3011    2.4197    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6819    1.1641    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4597    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8567    0.0916    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4759    1.3472    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6980    2.5112    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.4528    4.3463    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.8341    4.1182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7424    2.7211    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.2334    4.1640    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4160    2.7759    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7095    2.2402    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8202    3.0924    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.8922    0.8521    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5968    4.4819    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.8720    5.0597    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5720    3.8472    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0099    5.8752    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9669    6.8970    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7062    8.0858    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9619    7.4667    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.1994    9.3961    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.5517    9.0337    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5416   10.0237    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8939    9.6614    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.8839   10.6513    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5216   12.0036    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1693   12.3659    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1793   11.3760    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4274   10.7774    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.3817   12.1767    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.7697   12.3594    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7778   11.8031    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1586   13.0587    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   10.6391    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  2  3  1  6  0  0  0
  4  2  1  0  0  0  0
  4  5  1  1  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  8  9  1  1  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  2  0  0  0  0
 14 13  1  0  0  0  0
 15 13  1  0  0  0  0
 16 15  2  0  0  0  0
 16 10  1  0  0  0  0
 17  8  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 20 24  1  1  0  0  0
 25 24  1  0  0  0  0
 26 25  2  0  0  0  0
 27 25  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 29  1  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  1  0  0  0  0
 36 35  2  0  0  0  0
 37 35  1  0  0  0  0
 37 38  1  1  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 39  2  0  0  0  0
 42 37  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  2  0  0  0  0
 45 43  1  0  0  0  0
 45 46  1  1  0  0  0
 47 46  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 50 49  2  0  0  0  0
 51 50  1  0  0  0  0
 52 51  2  0  0  0  0
 52 47  1  0  0  0  0
 53 45  1  0  0  0  0
 54 53  1  0  0  0  0
 55 54  2  0  0  0  0
 56 54  1  0  0  0  0
 56 57  1  1  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 58  2  0  0  0  0
 61 56  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  2  0  0  0  0
 64 62  1  0  0  0  0
 65 64  1  0  0  0  0
 66 65  1  0  0  0  0
 67 66  2  0  0  0  0
 68 66  1  0  0  0  0
 68 69  1  1  0  0  0
 70 69  1  0  0  0  0
 71 70  2  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
 75 70  1  0  0  0  0
 76 68  1  0  0  0  0
 77 76  1  0  0  0  0
 77  4  1  0  0  0  0
 78 77  2  0  0  0  0
 33 79  1  6  0  0  0
 80 79  1  0  0  0  0
 81 79  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1001050-3D
FYIcenter.com

145149  0  0  1  0  0  0  0  0999 V2000
    0.7932    0.3886   -1.4558 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7915    0.3148   -2.9818 C   0  0  1  0  0  0  0  0  0  0  0  0
   -0.5557    0.1640   -3.3904 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4912    1.4823   -3.7112 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.0375    1.9270   -5.4024 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2931    1.4709   -6.6213 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8669    0.5263   -7.1983 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6882    2.5565   -7.7568 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.0571    2.5298   -8.9554 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4041    1.8611   -9.5871 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1172    2.6039  -10.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2690    2.1232  -11.3060 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7330    0.8428  -11.0758 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8178    0.3029  -11.7054 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0607    0.0646  -10.1506 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9467    0.5735   -9.4085 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4549    3.2451   -8.5699 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.1814    2.7645   -9.6665 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3738    2.5516   -9.4407 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7162    2.8875  -11.1867 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.5663    4.4218  -11.4372 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6427    4.6192  -12.3197 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8917    3.2738  -12.9433 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4379    2.3090  -11.9475 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5366    0.9920  -12.4179 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8701    0.7375  -13.5801 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2875   -0.1819  -11.4798 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3862    0.1860  -10.0955 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0794   -0.4111   -9.1153 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4911    0.1888   -8.1252 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1071   -1.8586   -9.0180 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4261   -2.8300  -10.0802 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4168   -4.1974   -9.3952 C   0  0  2  0  0  0  0  0  0  0  0  0
   -0.0710   -4.6178   -8.9868 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.8187   -4.2487   -8.0401 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.9039   -4.8316   -8.0964 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5696   -3.2209   -6.9177 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.7138   -2.1738   -6.9878 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7107   -1.3878   -5.7354 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9428   -0.9777   -5.3908 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.7070   -1.2316   -5.0644 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.2673   -3.8622   -5.6331 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0944   -4.4764   -4.7559 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6292   -4.8595   -3.6789 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5651   -4.5798   -5.1171 C   0  0  2  0  0  0  0  0  0  0  0  0
    2.9525   -6.0212   -5.3598 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3310   -6.2358   -5.9298 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2084   -7.0788   -5.2467 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3621   -7.5420   -5.8709 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6637   -7.1455   -7.1718 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8569   -6.2168   -7.8188 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7070   -5.7463   -7.1900 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3546   -3.7907   -4.2024 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9144   -4.2997   -3.0907 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1312   -4.1073   -3.0008 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.0961   -5.0339   -1.9926 C   0  0  2  0  0  0  0  0  0  0  0  0
    1.9684   -4.3271   -1.2232 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1197   -5.3351   -0.5018 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0487   -5.7581   -1.1973 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.3788   -5.7394    0.6257 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1282   -5.6059   -1.1295 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.1991   -5.0368   -0.4966 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0807   -5.8415   -0.1571 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.4369   -3.4659   -0.2786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3350   -2.4745   -0.5084 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2709   -1.3553   -1.3122 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1905   -1.5348   -2.5335 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.9846    0.0524   -0.7291 C   0  0  2  0  0  0  0  0  0  0  0  0
    3.2261   -0.0026    0.6702 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0668    1.1673    1.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6156    2.4257    1.3979 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4637    3.4608    2.3344 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7681    3.2585    3.5265 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2335    2.0063    3.7986 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3897    0.9687    2.8653 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7651    1.0690   -1.9886 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.1038    1.4762   -3.1573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9045    2.0431   -3.9323 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9321   -5.1599  -10.4571 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2776   -5.1525  -10.5824 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1973   -5.8076  -11.1881 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1988    0.3007   -1.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2835    1.2798   -1.0548 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3410   -0.4906   -1.1014 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3528   -0.6087   -3.1613 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4793   -0.2277   -4.2862 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1180    2.4063   -3.2528 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9768    1.7768   -5.7750 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0311    3.3247   -7.0535 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.4064    3.5672   -8.8350 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5114    2.6019   -9.8943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7823    3.6017  -10.8796 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7740    2.7569  -12.0340 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2392    0.9556  -12.2897 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4111   -0.9544   -9.9917 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5504   -0.1287   -8.6915 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.1707    3.4523   -7.8857 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5902    2.5456  -11.7571 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.4685    4.8153  -11.9168 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4175    4.9917  -10.5187 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5095    5.4067  -13.0832 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5192    4.9000  -11.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2824    3.1546  -13.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9307    3.0883  -13.2012 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6953   -0.6119  -11.6716 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0757   -0.9029  -11.7088 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3044    1.1626   -9.9269 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7705   -2.0592   -8.1637 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0635   -2.0180   -8.7993 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6591   -2.8075  -10.8617 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3901   -2.5923  -10.5385 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0525   -4.2435   -8.5030 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3617   -5.2872   -9.6271 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3674   -2.7023   -7.0396 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7121   -2.5946   -7.1148 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6198   -1.5160   -7.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0473   -0.8814   -4.4194 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5793   -3.5407   -5.1695 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7525   -4.0828   -6.0479 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8255   -6.6067   -4.4468 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2380   -6.4584   -6.0693 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9753   -7.4176   -4.2411 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0056   -8.2435   -5.3497 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5268   -7.5618   -7.6811 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0963   -5.8867   -8.8265 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0952   -5.0371   -7.7368 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0979   -3.2754   -4.6776 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6454   -5.8980   -2.4901 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2825   -3.6684   -0.4126 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3485   -3.6819   -1.8518 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0146   -5.3687   -2.0993 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2908   -6.5994   -1.2695 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2967   -3.1812   -0.8653 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6813   -3.4126    0.7935 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.7928   -3.0637   -1.0770 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9981    0.3566   -0.4170 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2606   -0.5053    0.5930 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8125   -0.7145    1.2842 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1766    2.6260    0.4926 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.8979    4.4368    2.1321 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6533    4.0721    4.2403 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7032    1.8381    4.7354 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9784   -0.0063    3.1280 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7156    1.3828   -2.1818 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7516   -4.5535   -9.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 82  1  0  0  0  0
  1 83  1  0  0  0  0
  1 84  1  0  0  0  0
  2  3  1  0  0  0  0
  2  4  1  0  0  0  0
  2 85  1  6  0  0  0
  3 86  1  0  0  0  0
  4  5  1  0  0  0  0
  4 77  1  0  0  0  0
  4 87  1  1  0  0  0
  5  6  1  0  0  0  0
  5 88  1  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8 17  1  0  0  0  0
  8  9  1  0  0  0  0
  8 89  1  1  0  0  0
  9 10  1  0  0  0  0
  9 90  1  0  0  0  0
  9 91  1  0  0  0  0
 10 11  2  0  0  0  0
 10 16  1  0  0  0  0
 11 12  1  0  0  0  0
 11 92  1  0  0  0  0
 12 13  2  0  0  0  0
 12 93  1  0  0  0  0
 13 14  1  0  0  0  0
 13 15  1  0  0  0  0
 14 94  1  0  0  0  0
 15 16  2  0  0  0  0
 15 95  1  0  0  0  0
 16 96  1  0  0  0  0
 17 18  1  0  0  0  0
 17 97  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20 24  1  0  0  0  0
 20 98  1  6  0  0  0
 21 22  1  0  0  0  0
 21 99  1  0  0  0  0
 21100  1  0  0  0  0
 22 23  1  0  0  0  0
 22101  1  0  0  0  0
 22102  1  0  0  0  0
 23 24  1  0  0  0  0
 23103  1  0  0  0  0
 23104  1  0  0  0  0
 24 25  1  0  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27105  1  0  0  0  0
 27106  1  0  0  0  0
 28 29  1  0  0  0  0
 28107  1  0  0  0  0
 29 30  2  0  0  0  0
 29 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31108  1  0  0  0  0
 31109  1  0  0  0  0
 32 33  1  0  0  0  0
 32110  1  0  0  0  0
 32111  1  0  0  0  0
 33 34  1  0  0  0  0
 33 79  1  0  0  0  0
 33112  1  1  0  0  0
 34 35  1  0  0  0  0
 34113  1  0  0  0  0
 35 36  2  0  0  0  0
 35 37  1  0  0  0  0
 37 42  1  0  0  0  0
 37 38  1  0  0  0  0
 37114  1  6  0  0  0
 38 39  1  0  0  0  0
 38115  1  0  0  0  0
 38116  1  0  0  0  0
 39 40  1  0  0  0  0
 39 41  2  0  0  0  0
 40117  1  0  0  0  0
 42 43  1  0  0  0  0
 42118  1  0  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 53  1  0  0  0  0
 45 46  1  0  0  0  0
 45119  1  6  0  0  0
 46 47  1  0  0  0  0
 46120  1  0  0  0  0
 46121  1  0  0  0  0
 47 48  2  0  0  0  0
 47 52  1  0  0  0  0
 48 49  1  0  0  0  0
 48122  1  0  0  0  0
 49 50  2  0  0  0  0
 49123  1  0  0  0  0
 50 51  1  0  0  0  0
 50124  1  0  0  0  0
 51 52  2  0  0  0  0
 51125  1  0  0  0  0
 52126  1  0  0  0  0
 53 54  1  0  0  0  0
 53127  1  0  0  0  0
 54 55  2  0  0  0  0
 54 56  1  0  0  0  0
 56 61  1  0  0  0  0
 56 57  1  0  0  0  0
 56128  1  6  0  0  0
 57 58  1  0  0  0  0
 57129  1  0  0  0  0
 57130  1  0  0  0  0
 58 59  1  0  0  0  0
 58 60  2  0  0  0  0
 59131  1  0  0  0  0
 61 62  1  0  0  0  0
 61132  1  0  0  0  0
 62 63  2  0  0  0  0
 62 64  1  0  0  0  0
 64 65  1  0  0  0  0
 64133  1  0  0  0  0
 64134  1  0  0  0  0
 65 66  1  0  0  0  0
 65135  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 68 76  1  0  0  0  0
 68 69  1  0  0  0  0
 68136  1  1  0  0  0
 69 70  1  0  0  0  0
 69137  1  0  0  0  0
 69138  1  0  0  0  0
 70 71  2  0  0  0  0
 70 75  1  0  0  0  0
 71 72  1  0  0  0  0
 71139  1  0  0  0  0
 72 73  2  0  0  0  0
 72140  1  0  0  0  0
 73 74  1  0  0  0  0
 73141  1  0  0  0  0
 74 75  2  0  0  0  0
 74142  1  0  0  0  0
 75143  1  0  0  0  0
 76 77  1  0  0  0  0
 76144  1  0  0  0  0
 77 78  2  0  0  0  0
 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 80145  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2022-03-29, 1517👍, 0💬