Molecule FYI-1003846

A

Molecule Summary:

ID: FYI-1003846
Names:
InChIKey: OIXQINQYMGNCII-YRVFCXMDSA-N
SMILES: CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O

Received at FYIcenter.com on: 2023-08-01

Molecule ID: FYI-1003846 Edit

Molecule Structure InChIKey: OIXQINQYMGNCII-YRVFCXMDSA-N

Molecule Structure SMILES String: CSCC[C@H](NC(=O)[C@H](Cc1ccc(O)cc1)NC(=O)[C@@H](N)CC(=O)O)C(=O)NCC(=O)N[C@@H](Cc2c[nH]c3ccccc23)C(=O)N[C@@H](CCSC)C(=O)N[C@@H](CC(=O)O)C(=O)N[C@@H](Cc4ccccc4)C(N)=O

Download SDF Download SVG Structure in 2D SDF:

FYI-1003846
FYIcenter.com

 74 77  0  0  1  0  0  0  0  0999 V2000
    8.4871    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    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
   13.3369    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9741    4.2000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   18.1865    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    7.0000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   10.5000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3369   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4831   14.6923    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8526   14.9834    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.5526   13.7709    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.6158   12.7306    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0484   11.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4178   11.1080    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.3546   12.1484    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9220   13.4798    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    7.0000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8498   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6374   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9120    6.3000    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
  3  4  1  1  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  6  2  0  0  0  0
  9  2  2  0  0  0  0
 10  1  1  6  0  0  0
 11 10  1  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 14  2  0  0  0  0
 16 15  1  0  0  0  0
 17 15  1  0  0  0  0
 18 17  2  0  0  0  0
 18 12  1  0  0  0  0
 19 10  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  1  6  0  0  0
 22 21  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 25 24  1  0  0  0  0
 26 21  1  0  0  0  0
 27 26  1  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  1  6  0  0  0
 32 31  1  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  1  0  0  0  0
 37 36  2  0  0  0  0
 37 33  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  2  0  0  0  0
 41 36  1  0  0  0  0
 42 31  1  0  0  0  0
 43 42  1  0  0  0  0
 44 43  1  1  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  1  0  0  0  0
 48 47  1  0  0  0  0
 49 44  1  0  0  0  0
 50 49  1  0  0  0  0
 51 50  1  6  0  0  0
 52 51  1  0  0  0  0
 53 52  1  0  0  0  0
 54 53  2  0  0  0  0
 55 53  1  0  0  0  0
 56 51  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  1  1  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  2  0  0  0  0
 64 63  1  0  0  0  0
 65 64  2  0  0  0  0
 65 60  1  0  0  0  0
 66 58  1  0  0  0  0
 67 66  1  0  0  0  0
 68 66  2  0  0  0  0
 69 56  2  0  0  0  0
 70 49  2  0  0  0  0
 71 42  2  0  0  0  0
 72 29  2  0  0  0  0
 73 26  2  0  0  0  0
 74 19  2  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1003846-3D
FYIcenter.com

136139  0  0  1  0  0  0  0  0999 V2000
    5.9480   -1.5724   -1.9460 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9098   -0.8433   -3.5984 S   0  0  0  0  0  0  0  0  0  0  0  0
    4.8712    0.6016   -3.2317 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6795    1.4748   -4.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.0386    0.7711   -5.6793 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.1098    1.5190   -6.9504 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.3826    2.8673   -7.1347 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5900    3.6546   -6.2135 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.4106    3.3904   -8.6210 C   0  0  2  0  0  0  0  0  0  0  0  0
    4.5327    2.2751   -9.6845 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7858    1.4123   -9.6323 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.8233    1.6331   -8.7108 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8101    0.6792   -8.4909 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7980   -0.4873   -9.2355 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.6852   -1.4861   -8.9745 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8596   -0.6791  -10.2418 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.8526    0.2693  -10.4424 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4498    4.4285   -8.8111 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.5128    5.2270   -9.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6791    5.1742  -10.8412 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7520    6.1456  -10.0354 C   0  0  1  0  0  0  0  0  0  0  0  0
    7.8817    5.3783  -10.6179 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.4925    7.3260  -10.9664 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3665    8.1835  -10.4602 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5320    9.1288   -9.6920 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.1506    7.8025  -10.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5993    0.2627   -5.3930 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.0162    0.4897   -4.3348 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.0464   -0.5706   -6.3557 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.7606   -1.2166   -6.1105 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3142   -2.2199   -7.1903 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.6877   -3.3889   -7.2033 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4993   -1.6871   -8.1579 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2352   -2.4678   -9.1921 C   0  0  1  0  0  0  0  0  0  0  0  0
   -2.1189   -3.5673   -8.5852 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2439   -3.0084   -7.7594 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1704   -1.9102   -6.9213 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3384   -1.8291   -6.2226 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2660   -2.6716   -6.7772 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6204   -2.8081   -6.4703 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3636   -3.7020   -7.2350 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7591   -4.4604   -8.2341 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3845   -4.3531   -8.4922 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6180   -3.4240   -7.7541 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0928   -1.4432   -9.9832 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8069   -0.2448   -9.9330 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1272   -1.9625  -10.7392 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1916   -1.1855  -11.3915 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6319    0.0451  -12.1169 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.6579    0.8860  -12.8526 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.9424    1.5395  -11.7342 S   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9281    2.5789  -10.6476 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8574   -2.1547  -12.4157 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1850   -2.7509  -13.2572 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2225   -2.3471  -12.3062 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9685   -3.2305  -13.2314 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.4585   -4.5402  -12.5909 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5275   -4.2766  -11.5655 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5559   -3.2725  -10.8696 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4054   -5.2919  -11.4131 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1616   -2.5531  -13.9493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8575   -3.1948  -14.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4106   -1.2383  -13.6405 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4947   -0.4648  -14.2749 C   0  0  1  0  0  0  0  0  0  0  0  0
  -10.9257   -1.0011  -14.0091 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.3373   -1.1046  -12.5517 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4257    0.0213  -11.7209 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6839   -0.1143  -10.3560 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8736   -1.3778   -9.8069 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8850   -2.4955  -10.6368 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6453   -2.3569  -12.0050 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4598    1.0603  -14.0409 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2654    1.6419  -13.7517 N   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4185    1.8026  -14.2525 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5567   -2.4799   -1.9680 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9363   -1.8375   -1.6297 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3891   -0.8735   -1.2309 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3622    1.1968   -2.4543 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9154    0.2574   -2.8298 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6632    1.8676   -4.7633 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0681    2.3367   -4.1785 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.6143   -0.1351   -5.9014 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2854    0.8988   -7.7267 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4453    3.8943   -8.7591 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.6717    1.6027   -9.5525 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4248    2.6897  -10.6920 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8613    2.5085   -8.0733 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5457    0.8552   -7.7121 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1618   -1.2657   -8.1554 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8882   -1.5871  -10.8392 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0957    0.0812  -11.2023 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0253    4.6585   -8.0060 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0313    6.4935   -9.0331 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5694    4.9339  -11.4866 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1389    4.6074  -10.0019 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2722    7.0089  -11.9945 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3855    7.9604  -11.0335 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1540    6.9401  -11.3782 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5647   -0.8405   -7.1806 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0031   -0.4334   -5.9922 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8108   -1.7537   -5.1549 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6460   -0.6814   -8.1981 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4866   -2.8954   -9.8690 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5297   -4.2469   -7.9620 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5172   -4.2022   -9.3872 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3974   -1.1864   -6.7210 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5180   -1.1861   -5.4646 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0822   -2.2246   -5.6809 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.4314   -3.8000   -7.0523 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3752   -5.1382   -8.8205 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9378   -4.9596   -9.2719 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3879   -2.9266  -10.5873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9105   -0.9181  -10.6089 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8542   -0.2722  -12.8221 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1266    0.7096  -11.4133 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1469    0.2928  -13.6312 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1627    1.7241  -13.3541 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5879    3.1720  -10.0093 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3027    3.2581  -11.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3046    1.9590   -9.9989 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7287   -2.0193  -11.4842 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2802   -3.5146  -14.0388 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6452   -5.0784  -12.0943 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.8746   -5.1911  -13.3702 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2873   -6.0413  -12.0289 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.7453   -0.7735  -13.0410 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.3131   -0.5720  -15.3529 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0171   -1.9949  -14.4664 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6660   -0.3844  -14.5293 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.2979    1.0253  -12.1153 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.7248    0.7679   -9.7229 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0204   -1.4918   -8.7371 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.0527   -3.4831  -10.2171 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6754   -3.2418  -12.6363 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.5179    1.1587  -13.2743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3300    2.6260  -13.5145 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 75  1  0  0  0  0
  1 76  1  0  0  0  0
  1 77  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3 78  1  0  0  0  0
  3 79  1  0  0  0  0
  4 80  1  0  0  0  0
  4 81  1  0  0  0  0
  5 27  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5 82  1  6  0  0  0
  6  7  1  0  0  0  0
  6 83  1  0  0  0  0
  7  8  2  0  0  0  0
  9 18  1  0  0  0  0
  9 10  1  0  0  0  0
  9  7  1  0  0  0  0
  9 84  1  6  0  0  0
 10 11  1  0  0  0  0
 10 85  1  0  0  0  0
 10 86  1  0  0  0  0
 11 12  1  0  0  0  0
 11 17  2  0  0  0  0
 12 13  2  0  0  0  0
 12 87  1  0  0  0  0
 13 14  1  0  0  0  0
 13 88  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  2  0  0  0  0
 15 89  1  0  0  0  0
 16 17  1  0  0  0  0
 16 90  1  0  0  0  0
 17 91  1  0  0  0  0
 18 19  1  0  0  0  0
 18 92  1  0  0  0  0
 19 20  2  0  0  0  0
 19 21  1  0  0  0  0
 21 22  1  0  0  0  0
 21 23  1  0  0  0  0
 21 93  1  1  0  0  0
 22 94  1  0  0  0  0
 22 95  1  0  0  0  0
 23 24  1  0  0  0  0
 23 96  1  0  0  0  0
 23 97  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26 98  1  0  0  0  0
 27 28  2  0  0  0  0
 27 29  1  0  0  0  0
 29 30  1  0  0  0  0
 29 99  1  0  0  0  0
 30 31  1  0  0  0  0
 30100  1  0  0  0  0
 30101  1  0  0  0  0
 31 32  2  0  0  0  0
 31 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33102  1  0  0  0  0
 34 35  1  0  0  0  0
 34 45  1  0  0  0  0
 34103  1  6  0  0  0
 35 36  1  0  0  0  0
 35104  1  0  0  0  0
 35105  1  0  0  0  0
 36 37  2  0  0  0  0
 36 44  1  0  0  0  0
 37 38  1  0  0  0  0
 37106  1  0  0  0  0
 38 39  1  0  0  0  0
 38107  1  0  0  0  0
 39 40  1  0  0  0  0
 39 44  2  0  0  0  0
 40 41  2  0  0  0  0
 40108  1  0  0  0  0
 41 42  1  0  0  0  0
 41109  1  0  0  0  0
 42 43  2  0  0  0  0
 42110  1  0  0  0  0
 43 44  1  0  0  0  0
 43111  1  0  0  0  0
 45 46  2  0  0  0  0
 45 47  1  0  0  0  0
 47 48  1  0  0  0  0
 47112  1  0  0  0  0
 48 49  1  0  0  0  0
 48 53  1  0  0  0  0
 48113  1  1  0  0  0
 49 50  1  0  0  0  0
 49114  1  0  0  0  0
 49115  1  0  0  0  0
 50 51  1  0  0  0  0
 50116  1  0  0  0  0
 50117  1  0  0  0  0
 51 52  1  0  0  0  0
 52118  1  0  0  0  0
 52119  1  0  0  0  0
 52120  1  0  0  0  0
 53 54  2  0  0  0  0
 53 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55121  1  0  0  0  0
 56 57  1  0  0  0  0
 56 61  1  0  0  0  0
 56122  1  6  0  0  0
 57 58  1  0  0  0  0
 57123  1  0  0  0  0
 57124  1  0  0  0  0
 58 59  2  0  0  0  0
 58 60  1  0  0  0  0
 60125  1  0  0  0  0
 61 62  2  0  0  0  0
 61 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63126  1  0  0  0  0
 64 65  1  0  0  0  0
 64 72  1  0  0  0  0
 64127  1  6  0  0  0
 65 66  1  0  0  0  0
 65128  1  0  0  0  0
 65129  1  0  0  0  0
 66 67  1  0  0  0  0
 66 71  2  0  0  0  0
 67 68  2  0  0  0  0
 67130  1  0  0  0  0
 68 69  1  0  0  0  0
 68131  1  0  0  0  0
 69 70  2  0  0  0  0
 69132  1  0  0  0  0
 70 71  1  0  0  0  0
 70133  1  0  0  0  0
 71134  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  2  0  0  0  0
 73135  1  0  0  0  0
 73136  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-09, 1987👍, 0💬