Molecule FYI-1015559

A

Molecule Summary:

ID: FYI-1015559
Names:
InChIKey: PUVVGJXUJNOEFG-TYGFDDANSA-N
SMILES: CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

Received at FYIcenter.com on: 2025-09-08

Molecule ID: FYI-1015559 Edit

Molecule Structure InChIKey: PUVVGJXUJNOEFG-TYGFDDANSA-N

Molecule Structure SMILES String: CSCC[C@H](N)C(=O)N[C@@H](C)C(=O)N[C@@H](C)C(=O)N[C@H](C(=O)N[C@H](C(=O)NCC(=O)N[C@@H](CO)C(=O)NCC(=O)N[C@H](C(=O)N[C@@H](CCCCN)C(=O)N[C@H](C(=O)N1CCC[C@H]1C(=O)N[C@@H](CCCNC(=N)N)C(=O)NC(CC(N)=O)C(=O)O)C(C)C)C(C)C)[C@@H](C)O)[C@@H](C)O

Download SDF Download SVG Structure in 2D SDF:

FYI-1015559
FYIcenter.com

 96 96  0  0  1  0  0  0  0  0999 V2000
   46.7342    0.7000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   46.7342    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2773   10.0922    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   47.9466    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   49.1591    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   50.3715    2.8000    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   51.5839    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5218    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   45.5218    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   44.3094    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   43.0969    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9054    9.5880    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   43.0969    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8845    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   41.8845    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   40.6721    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   39.4597    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2368    9.1554    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   39.4597    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2471    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   38.2471    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0347    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.8223    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2313    7.8575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   35.8223    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6087    9.6596    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   37.0347    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   34.6099    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6099    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.6099    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3974    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.1850    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8997    8.2901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.1850    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.8594    7.3534    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9726    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.3974    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9726    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.9726    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.7602    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   28.5477    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3353    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3353    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1229    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.9105    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5279    7.7860    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9105    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1229    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.6979    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.6979    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4855    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   21.2731    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0607    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.0607    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8482    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6358    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4875    6.8492    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.6358    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4234    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.8482    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4234    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4234    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.2110    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.9984    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8649    8.6512    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.9984    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2110    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.2110    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4234    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4234    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   12.7861    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7861    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5737    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.3613    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1560    7.2818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.3613    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1487    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5737    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1487    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1487    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.9363    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.6574    2.6694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.7493    7.1387    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7205    1.6290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4205    0.4166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7900    0.7077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3662    4.0389    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0348    4.4715    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.4067    4.9756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.1156    6.3451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    4.8325    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.7841    6.7777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7438    5.8408    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4122    6.2735    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3719    5.3367    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.0403    5.7694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3 18  1  0  0  0  0
  4  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  2  1  0  0  0  0
  9  8  2  0  0  0  0
 10  8  1  0  0  0  0
 11 10  1  6  0  0  0
 12 18  2  0  0  0  0
 13 11  1  0  0  0  0
 14 11  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  1  0  0  0
 18 46  1  0  0  0  0
 19 17  1  0  0  0  0
 20 17  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  6  0  0  0
 24 33  1  0  0  0  0
 25 23  1  0  0  0  0
 26 33  2  0  0  0  0
 25 27  1  1  0  0  0
 28 25  1  0  0  0  0
 29 23  1  0  0  0  0
 30 29  2  0  0  0  0
 31 29  1  0  0  0  0
 32 31  1  1  0  0  0
 33 35  1  0  0  0  0
 34 32  1  0  0  0  0
 35 46  1  0  0  0  0
 34 36  1  1  0  0  0
 37 34  1  0  0  0  0
 38 32  1  0  0  0  0
 39 38  2  0  0  0  0
 40 38  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  1  0  0  0  0
 43 42  2  0  0  0  0
 44 42  1  0  0  0  0
 45 44  1  1  0  0  0
 46 57  1  0  0  0  0
 47 45  1  0  0  0  0
 48 47  1  0  0  0  0
 49 45  1  0  0  0  0
 50 49  2  0  0  0  0
 51 49  1  0  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 55  1  1  0  0  0
 57 75  1  0  0  0  0
 58 56  1  0  0  0  0
 59 58  1  0  0  0  0
 60 58  1  0  0  0  0
 61 56  1  0  0  0  0
 62 61  2  0  0  0  0
 63 61  1  0  0  0  0
 64 63  1  6  0  0  0
 65 75  2  0  0  0  0
 66 64  1  0  0  0  0
 67 66  1  0  0  0  0
 68 67  1  0  0  0  0
 69 68  1  0  0  0  0
 70 69  1  0  0  0  0
 71 64  1  0  0  0  0
 72 71  2  0  0  0  0
 73 71  1  0  0  0  0
 74 73  1  1  0  0  0
 75 90  1  0  0  0  0
 76 74  1  0  0  0  0
 77 76  1  0  0  0  0
 78 76  1  0  0  0  0
 79 74  1  0  0  0  0
 80 79  2  0  0  0  0
 81 79  1  0  0  0  0
 82 81  1  0  0  0  0
 83 96  1  0  0  0  0
 84 82  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  1  0  0  0  0
 86 81  1  0  0  0  0
 82 87  1  1  0  0  0
 88 87  2  0  0  0  0
 89 87  1  0  0  0  0
 90 89  1  1  0  0  0
 91 96  2  0  0  0  0
 92 90  1  0  0  0  0
 93 92  1  0  0  0  0
 94 93  1  0  0  0  0
 95 94  1  0  0  0  0
 96 95  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015559-3D
FYIcenter.com

197197  0  0  1  0  0  0  0  0999 V2000
   26.8470   10.4139  -17.1301 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.0390   10.3329  -18.6140 S   0  0  0  0  0  0  0  0  0  0  0  0
   28.8978    8.6928  -18.3689 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5083    8.2172  -18.9202 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.9247    7.3644  -18.0145 C   0  0  2  0  0  0  0  0  0  0  0  0
   32.8920    6.7839  -18.9941 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.3754    6.4296  -16.3593 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.4721    5.8502  -16.3322 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.5786    6.4177  -15.0837 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3313    5.7700  -13.6568 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.2066    6.4622  -12.6829 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.4518    4.5704  -14.0363 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.6939    4.6491  -15.0075 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2880    3.5948  -13.0948 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.7724    2.2624  -13.4384 C   0  0  1  0  0  0  0  0  0  0  0  0
   29.8910    1.8998  -14.9068 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.6260    1.2576  -12.6602 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8714    0.1290  -13.0580 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.9958    1.6972  -11.4149 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.0018    0.9860  -10.6141 C   0  0  2  0  0  0  0  0  0  0  0  0
   31.4626   -0.3882  -10.2387 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.5785   -0.5540   -9.3827 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.8848   -1.4576  -11.0197 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.3099   -2.8006  -10.8000 C   0  0  2  0  0  0  0  0  0  0  0  0
   29.7736   -2.8162  -10.9833 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0055   -3.5398  -10.3413 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.3317   -2.0593  -12.0459 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.9241   -1.8761  -12.2590 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.2737   -1.0548  -11.1388 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.6606    0.0669  -10.8261 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.1415   -1.6486  -10.6064 N   0  0  0  0  0  0  0  0  0  0  0  0
   25.3527   -0.9747   -9.5693 C   0  0  1  0  0  0  0  0  0  0  0  0
   26.0823   -0.7821   -8.2284 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.1613   -0.5589   -7.1534 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.7416    0.3556  -10.0845 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2645    1.1946   -9.3109 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.5509    0.4148  -11.4508 N   0  0  0  0  0  0  0  0  0  0  0  0
   24.0915    1.6085  -12.1406 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2282    2.5489  -12.6468 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.1552    2.9564  -11.9533 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.1324    2.8610  -13.9893 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.1005    3.6817  -14.7653 C   0  0  2  0  0  0  0  0  0  0  0  0
   25.6004    5.2052  -14.8132 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.4616    5.4954  -15.1525 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.5192    6.1845  -14.4223 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.3328    7.6775  -14.5388 C   0  0  1  0  0  0  0  0  0  0  0  0
   24.9415    8.3626  -14.2151 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.3490    8.2046  -12.8027 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0255    8.9788  -12.4832 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.6226    8.7006  -11.0147 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.3610    9.2968  -10.5796 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.6030    8.5910  -14.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.5053    9.4603  -13.1779 O   0  0  0  0  0  0  0  0  0  0  0  0
   28.7543    8.2842  -14.7094 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.1373    8.7882  -14.6798 C   0  0  2  0  0  0  0  0  0  0  0  0
   30.7180   10.0754  -14.0539 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7354   10.0145  -13.3614 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.2256   11.2641  -14.4744 N   0  0  0  0  0  0  0  0  0  0  0  0
   29.2063   11.3270  -15.4605 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3376   12.6520  -16.1419 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9206   13.5088  -15.0382 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8501   12.5618  -14.2435 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.9840   12.9886  -12.7508 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.8691   14.1743  -12.4235 O   0  0  0  0  0  0  0  0  0  0  0  0
   31.3881   12.0293  -11.8436 N   0  0  0  0  0  0  0  0  0  0  0  0
   31.7227   12.2891  -10.4401 C   0  0  1  0  0  0  0  0  0  0  0  0
   30.5400   12.8966   -9.6642 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2425   12.0762   -9.6734 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.2951   10.7468   -8.9226 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.9900   10.1083   -8.9786 N   0  0  0  0  0  0  0  0  0  0  0  0
   27.7815    8.8738   -8.4725 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.3479    8.3467   -7.4496 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8670    8.1923   -9.1866 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.2691   11.0044   -9.7220 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4370    9.9415  -10.3047 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.5979   11.1724   -8.3799 N   0  0  0  0  0  0  0  0  0  0  0  0
   32.9295   10.0754   -7.4686 C   0  0  3  0  0  0  0  0  0  0  0  0
   34.1734    9.2826   -7.8437 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.4110   10.1411   -7.8323 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.5855   10.9384   -8.9203 N   0  0  0  0  0  0  0  0  0  0  0  0
   36.2054   10.1410   -6.9008 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.0632   10.6537   -6.0517 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.3163   11.8333   -5.8336 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.8215    9.7735   -5.0561 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.7557    8.5129  -16.1035 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.4183    9.0226  -15.9375 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.9105    6.9507  -16.8176 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.2622    2.9522  -16.1535 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.9558    2.8586  -16.9547 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.3606    3.4630  -17.0902 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7753   -3.5768   -9.5373 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.3288   -3.0694   -8.1713 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.3543   -4.9519   -9.6445 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.3693    1.8488   -9.3936 C   0  0  1  0  0  0  0  0  0  0  0  0
   31.2502    2.0993   -8.3758 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.5357    1.3232   -8.7616 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.8870   11.3972  -16.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0966    9.6865  -16.3587 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.7961   10.2790  -17.4001 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.1924    7.9372  -18.7385 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7863    8.6647  -17.2956 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9211    9.0998  -19.4213 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2647    7.4989  -19.7211 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4456    8.2999  -17.9802 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8565    5.7693  -18.9265 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.8260    6.9870  -18.6010 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6183    6.5670  -15.2022 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.2521    5.5676  -13.1220 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.1931    6.3864  -13.1194 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3378    7.5066  -12.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0936    5.9346  -11.7279 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9204    3.9499  -12.2163 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.7299    2.2016  -13.1012 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9185    2.0041  -15.2736 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.2739    2.5658  -15.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.5356    0.8901  -15.1186 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8871    2.6832  -11.2273 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8886    0.8725  -11.2614 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.1980   -1.2492  -11.9629 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6749   -3.3900  -11.6531 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.9938   -1.4681  -12.5482 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4384   -2.8487  -12.3780 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.7961   -1.3068  -13.1862 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.1959   -2.6603  -10.5260 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4898   -1.6325   -9.3887 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.8094    0.0363   -8.2593 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.6247   -1.6966   -7.9640 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4671    0.0485   -7.4796 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.9091   -0.3638  -11.9876 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4237    2.1817  -11.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.5089    1.2440  -12.9940 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2551    2.6566  -14.4495 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.0587    3.6547  -14.2327 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.4715    5.8429  -14.4038 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.4047    7.8032  -15.6305 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2043    8.0105  -14.9470 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0525    9.4391  -14.4151 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.0981    8.5231  -12.0721 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.1479    7.1415  -12.6410 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.2150    8.6590  -13.1523 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.1497   10.0604  -12.6309 H   0  0  0  0  0  0  0  0  0  0  0  0
   23.4143    9.0574  -10.3474 H   0  0  0  0  0  0  0  0  0  0  0  0
   22.5363    7.6185  -10.8731 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.4424   10.3110  -10.5164 H   0  0  0  0  0  0  0  0  0  0  0  0
   21.1684    8.9874   -9.6231 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.6959    7.3203  -14.9735 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.6666    8.1191  -14.0408 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2660   11.1752  -14.9374 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.3329   10.5527  -16.1925 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.3705   12.9999  -16.5108 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0168   12.5726  -17.0011 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.0891   13.8529  -14.4121 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4312   14.3778  -15.4567 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.8534   12.5509  -14.6910 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.7130   11.1424  -12.2349 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.5503   13.0117  -10.4674 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3016   13.8766  -10.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.8290   13.1069   -8.6296 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9264   11.8962  -10.7075 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.4566   12.6947   -9.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.6046   10.9119   -7.8831 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.0046   10.0629   -9.3919 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.6050   10.1783   -9.9166 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.9512    9.0473   -7.0203 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.0817    8.7520   -9.4912 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5556    7.3709   -8.6772 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.5512   12.1038   -7.9589 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.0543    9.4141   -7.4726 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.0750    8.8130   -8.8277 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.3319    8.4652   -7.1295 H   0  0  0  0  0  0  0  0  0  0  0  0
   34.9391   10.9518   -9.6982 H   0  0  0  0  0  0  0  0  0  0  0  0
   36.3844   11.5585   -8.9351 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.5921    8.8634   -5.3246 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.4993    9.2972  -16.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0309    8.4230  -15.2542 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.4566   10.0501  -15.5650 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.0530    9.2260  -16.8100 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3084    5.9399  -16.6570 H   0  0  0  0  0  0  0  0  0  0  0  0
   29.8798    6.7185  -17.8775 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.8561    6.8709  -16.5752 H   0  0  0  0  0  0  0  0  0  0  0  0
   26.5354    1.9084  -15.9203 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.4663    3.8300  -17.0354 H   0  0  0  0  0  0  0  0  0  0  0  0
   24.2619    2.1445  -16.5020 H   0  0  0  0  0  0  0  0  0  0  0  0
   25.1388    2.4959  -17.9729 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.5699    4.5241  -16.9643 H   0  0  0  0  0  0  0  0  0  0  0  0
   27.1230    3.2711  -18.1429 H   0  0  0  0  0  0  0  0  0  0  0  0
   28.2819    2.9005  -16.9613 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.8722   -3.6006   -9.5419 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.2398   -3.0889   -8.0637 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.6983   -2.0649   -7.9639 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.7232   -3.7253   -7.3868 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3751   -4.9421   -9.5704 H   0  0  0  0  0  0  0  0  0  0  0  0
   32.6687    2.8457   -9.7594 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.9596    1.1883   -7.8467 H   0  0  0  0  0  0  0  0  0  0  0  0
   30.3615    2.5347   -8.8447 H   0  0  0  0  0  0  0  0  0  0  0  0
   31.5951    2.7884   -7.5971 H   0  0  0  0  0  0  0  0  0  0  0  0
   33.2914    1.0226   -7.8693 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 97  1  0  0  0  0
  1 98  1  0  0  0  0
  1 99  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3100  1  0  0  0  0
  3101  1  0  0  0  0
  4102  1  0  0  0  0
  4103  1  0  0  0  0
  5  7  1  0  0  0  0
  5  6  1  0  0  0  0
  5  4  1  0  0  0  0
  5104  1  1  0  0  0
  6105  1  0  0  0  0
  6106  1  0  0  0  0
  7  8  2  0  0  0  0
  7  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9107  1  0  0  0  0
 10 11  1  0  0  0  0
 10 12  1  0  0  0  0
 10108  1  1  0  0  0
 11109  1  0  0  0  0
 11110  1  0  0  0  0
 11111  1  0  0  0  0
 12 13  2  0  0  0  0
 12 14  1  0  0  0  0
 14 15  1  0  0  0  0
 14112  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15113  1  1  0  0  0
 16114  1  0  0  0  0
 16115  1  0  0  0  0
 16116  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19117  1  0  0  0  0
 20 94  1  0  0  0  0
 20 21  1  0  0  0  0
 20 19  1  0  0  0  0
 20118  1  6  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23119  1  0  0  0  0
 24 91  1  0  0  0  0
 24 25  1  0  0  0  0
 24 23  1  0  0  0  0
 24120  1  6  0  0  0
 25 26  2  0  0  0  0
 25 27  1  0  0  0  0
 27 28  1  0  0  0  0
 27121  1  0  0  0  0
 28 29  1  0  0  0  0
 28122  1  0  0  0  0
 28123  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
 31124  1  0  0  0  0
 32 33  1  0  0  0  0
 32 35  1  0  0  0  0
 32125  1  1  0  0  0
 33 34  1  0  0  0  0
 33126  1  0  0  0  0
 33127  1  0  0  0  0
 34128  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
 37129  1  0  0  0  0
 38 39  1  0  0  0  0
 38130  1  0  0  0  0
 38131  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41132  1  0  0  0  0
 42 88  1  0  0  0  0
 42 43  1  0  0  0  0
 42 41  1  0  0  0  0
 42133  1  1  0  0  0
 43 44  2  0  0  0  0
 43 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45134  1  0  0  0  0
 46 47  1  0  0  0  0
 46 52  1  0  0  0  0
 46135  1  6  0  0  0
 47 48  1  0  0  0  0
 47136  1  0  0  0  0
 47137  1  0  0  0  0
 48 49  1  0  0  0  0
 48138  1  0  0  0  0
 48139  1  0  0  0  0
 49 50  1  0  0  0  0
 49140  1  0  0  0  0
 49141  1  0  0  0  0
 50 51  1  0  0  0  0
 50142  1  0  0  0  0
 50143  1  0  0  0  0
 51144  1  0  0  0  0
 51145  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54146  1  0  0  0  0
 55 85  1  0  0  0  0
 55 56  1  0  0  0  0
 55 54  1  0  0  0  0
 55147  1  1  0  0  0
 56 57  2  0  0  0  0
 56 58  1  0  0  0  0
 58 59  1  0  0  0  0
 58 62  1  0  0  0  0
 59 60  1  0  0  0  0
 59148  1  0  0  0  0
 59149  1  0  0  0  0
 60 61  1  0  0  0  0
 60150  1  0  0  0  0
 60151  1  0  0  0  0
 61 62  1  0  0  0  0
 61152  1  0  0  0  0
 61153  1  0  0  0  0
 62 63  1  0  0  0  0
 62154  1  6  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 65 66  1  0  0  0  0
 65155  1  0  0  0  0
 66 67  1  0  0  0  0
 66 74  1  0  0  0  0
 66156  1  1  0  0  0
 67 68  1  0  0  0  0
 67157  1  0  0  0  0
 67158  1  0  0  0  0
 68 69  1  0  0  0  0
 68159  1  0  0  0  0
 68160  1  0  0  0  0
 69 70  1  0  0  0  0
 69161  1  0  0  0  0
 69162  1  0  0  0  0
 70 71  1  0  0  0  0
 70163  1  0  0  0  0
 71 72  2  0  0  0  0
 71 73  1  0  0  0  0
 72164  1  0  0  0  0
 73165  1  0  0  0  0
 73166  1  0  0  0  0
 74 75  2  0  0  0  0
 74 76  1  0  0  0  0
 76 77  1  0  0  0  0
 76167  1  0  0  0  0
 77 78  1  0  0  0  0
 77 82  1  0  0  0  0
 77168  1  0  0  0  0
 78 79  1  0  0  0  0
 78169  1  0  0  0  0
 78170  1  0  0  0  0
 79 80  1  0  0  0  0
 79 81  2  0  0  0  0
 80171  1  0  0  0  0
 80172  1  0  0  0  0
 82 83  2  0  0  0  0
 82 84  1  0  0  0  0
 84173  1  0  0  0  0
 85 86  1  0  0  0  0
 85 87  1  0  0  0  0
 85174  1  0  0  0  0
 86175  1  0  0  0  0
 86176  1  0  0  0  0
 86177  1  0  0  0  0
 87178  1  0  0  0  0
 87179  1  0  0  0  0
 87180  1  0  0  0  0
 88 89  1  0  0  0  0
 88 90  1  0  0  0  0
 88181  1  0  0  0  0
 89182  1  0  0  0  0
 89183  1  0  0  0  0
 89184  1  0  0  0  0
 90185  1  0  0  0  0
 90186  1  0  0  0  0
 90187  1  0  0  0  0
 91 92  1  0  0  0  0
 91 93  1  0  0  0  0
 91188  1  6  0  0  0
 92189  1  0  0  0  0
 92190  1  0  0  0  0
 92191  1  0  0  0  0
 93192  1  0  0  0  0
 94 95  1  0  0  0  0
 94 96  1  0  0  0  0
 94193  1  6  0  0  0
 95194  1  0  0  0  0
 95195  1  0  0  0  0
 95196  1  0  0  0  0
 96197  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 655👍, 0💬