Molecule FYI-1015540

A

Molecule Summary:

ID: FYI-1015540
Names:
InChIKey: DJPCJJVBKAXFGB-OAJPUJNSSA-N
SMILES: CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)O

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

Molecule ID: FYI-1015540 Edit

Molecule Structure InChIKey: DJPCJJVBKAXFGB-OAJPUJNSSA-N

Molecule Structure SMILES String: CC(C)[C@H](NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CCC(=O)O)NC(=O)[C@H](CC(=O)O)NC(=O)CNC(=O)[C@@H](N)Cc1ccc(O)cc1)C(=O)N2CCC[C@H]2C(=O)N[C@@H](CCCNC(=N)N)C(=O)N[C@@H](CO)C(=O)N3CCC[C@H]3C(=O)N[C@@H](Cc4ccccc4)C(=O)N[C@@H](CCCCN)C(=O)O

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1015540
FYIcenter.com

101104  0  0  1  0  0  0  0  0999 V2000
   26.6782    4.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.6782    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8906    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1032    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3156    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5280    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5280    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3156    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.1032    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7404    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4658    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4658    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2534    2.8000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.0409    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8285    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8285    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6161    2.1000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   19.4037    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   15.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1912    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1912    0.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.4037    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9788    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4037    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6161    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1912    4.9000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.1912    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   13.5525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.4037    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6161    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8285    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8285    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0409    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9788    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7664    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9788    8.4000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7664    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   14.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290    7.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9166    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7664   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9788   11.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540   11.2000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5540   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    7.9526    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7664   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7664   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9788   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3414   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1290   12.6000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.8501   13.1694    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9133   12.1290    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.6133   10.9166    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9827   11.2077    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5589   14.5388    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.2275   14.9714    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.5994   15.4756    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.3083   16.8451    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   10.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3487   17.7818    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6802   17.3492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7206   18.2859    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.0521   17.8533    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.0924   18.7901    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4240   18.3575    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8014   20.1596    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9768   17.2777    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9365   16.3408    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6858   18.6470    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.3544   19.0796    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2125   11.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0632   20.4491    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1036   21.3858    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.3139   18.1429    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6049   16.7735    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.9823   18.5755    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   17.7525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   12.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7171   18.5755    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1497   19.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5497   19.9070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   16.3525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   15.6525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   15.6525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   14.2525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   12.1525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   10.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.3526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   10.0526    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0623   11.4525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   12.1525    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   14.2525    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   13.5525    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  1  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  2  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  7  1  0  0  0  0
  9  8  2  0  0  0  0
  9  4  1  0  0  0  0
 10  7  1  0  0  0  0
 11  2  1  0  0  0  0
 12 11  2  0  0  0  0
 13 11  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 15  2  0  0  0  0
 17 15  1  0  0  0  0
 18 17  1  1  0  0  0
 19 38  1  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  2  0  0  0  0
 23 21  1  0  0  0  0
 24 18  1  0  0  0  0
 25 24  2  0  0  0  0
 26 24  1  0  0  0  0
 27 26  1  6  0  0  0
 28 38  2  0  0  0  0
 29 27  1  0  0  0  0
 30 29  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 27  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  1  0  0  0
 38101  1  0  0  0  0
 39 37  1  0  0  0  0
 40 39  1  0  0  0  0
 41 40  1  0  0  0  0
 42 41  2  0  0  0  0
 43 41  1  0  0  0  0
 44 37  1  0  0  0  0
 45 44  2  0  0  0  0
 46 44  1  0  0  0  0
 47 46  1  6  0  0  0
 48 56  1  0  0  0  0
 49 47  1  0  0  0  0
 50 49  1  0  0  0  0
 51 49  1  0  0  0  0
 52 47  1  0  0  0  0
 53 52  2  0  0  0  0
 54 52  1  0  0  0  0
 55 54  1  0  0  0  0
 56 64  1  0  0  0  0
 57 55  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 59 54  1  0  0  0  0
 55 60  1  1  0  0  0
 61 60  2  0  0  0  0
 62 60  1  0  0  0  0
 63 62  1  6  0  0  0
 64 76  1  0  0  0  0
 65 63  1  0  0  0  0
 66 65  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  2  0  0  0  0
 71 69  1  0  0  0  0
 72 63  1  0  0  0  0
 73 72  2  0  0  0  0
 74 72  1  0  0  0  0
 75 74  1  6  0  0  0
 76 83  1  0  0  0  0
 77 75  1  0  0  0  0
 78 77  1  0  0  0  0
 79 75  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
 83101  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  6  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 90  1  0  0  0  0
 92 91  1  0  0  0  0
 93 92  2  0  0  0  0
 94 93  1  0  0  0  0
 95 94  2  0  0  0  0
 96 95  1  0  0  0  0
 97 96  2  0  0  0  0
 97 92  1  0  0  0  0
 98 90  1  0  0  0  0
 99 98  2  0  0  0  0
100 98  1  0  0  0  0
101100  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1015540-3D
FYIcenter.com

195198  0  0  1  0  0  0  0  0999 V2000
   -3.9745   -8.3806    1.3626 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0150   -9.8791    1.0067 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3301  -10.1010    0.2440 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8845  -10.7577    2.2709 C   0  0  2  0  0  0  0  0  0  0  0  0
   -2.7120  -10.4330    3.2141 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4328  -10.1054    2.8279 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0522  -10.2890    1.6658 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4034   -9.5684    3.9034 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.6148  -10.6060    4.5472 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.5851  -11.2716    3.5236 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6185  -12.4036    3.8187 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264  -13.6200    3.7949 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.8749  -11.9590    4.0185 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.1239   -8.7405    4.8931 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5391   -7.4580    4.5504 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5069   -7.0444    3.3865 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0762   -6.5392    5.6765 C   0  0  2  0  0  0  0  0  0  0  0  0
   -1.2079   -5.2792    5.8150 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2614   -4.3350    4.6360 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6958   -3.9612    4.3828 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3988   -3.3695    5.1889 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1793   -4.4594    3.2258 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2157   -7.2877    6.8975 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4629   -7.0567    8.0146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8151   -6.0488    8.2763 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3773   -8.2411    8.9305 C   0  0  2  0  0  0  0  0  0  0  0  0
    0.1004   -8.3581    9.2945 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.9409   -8.7447    8.1182 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5785   -8.6428    6.9586 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.1444   -9.2572    8.4336 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2792   -9.3881    8.5717 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2318  -10.5119    7.7795 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3900  -10.6510    6.8986 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2444  -11.6645    8.1020 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.3408  -12.5369    7.0084 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5644  -13.0691    6.6935 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5903  -12.9413    7.3421 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4316  -13.8644    5.4378 C   0  0  1  0  0  0  0  0  0  0  0  0
   -3.6560  -15.0727    5.7687 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8079  -14.1987    4.8949 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6613  -13.0131    4.4262 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7867  -11.4917    4.1203 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6236  -10.0541    3.3125 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3218  -10.1378    2.9062 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9667   -8.9725    2.6166 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2089  -11.6575    3.1335 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3774  -13.1233    3.8931 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4105  -12.3104    2.0348 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5729  -13.1813    1.7958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.7641  -12.7539    2.1100 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0822  -14.1550    1.7493 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4067  -14.2345    1.0617 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.1317  -12.9725    1.4523 C   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1578  -11.9609    2.6391 C   0  0  1  0  0  0  0  0  0  0  0  0
   -7.7931  -11.2520    4.6097 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8503  -11.5079    5.2174 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0487  -10.2144    5.4879 N   0  0  0  0  0  0  0  0  0  0  0  0
   -7.4069   -9.6633    6.7573 C   0  0  1  0  0  0  0  0  0  0  0  0
   -8.5700  -10.3918    7.3025 C   0  0  0  0  0  0  0  0  0  0  0  0
   -9.0330   -9.9784    8.6318 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3151  -10.7254    8.9206 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6869  -10.4101   10.2699 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7938  -10.4021   11.2807 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8318  -11.2280   11.4716 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.8681   -9.3167   12.0594 N   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0698   -9.6733    7.5344 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9731   -9.6254    6.9385 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1379   -9.5271    8.8852 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0649   -9.6956    9.8608 C   0  0  1  0  0  0  0  0  0  0  0  0
   -4.6167   -8.3047   10.2535 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3137   -7.5573    9.0501 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1594  -10.9948   10.7243 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0323  -11.8260   10.4505 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1269  -11.3489   11.5888 N   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2979  -12.5133   12.4500 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1347  -11.9199   13.8366 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0382  -10.8794   13.6530 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1263  -10.4635   12.1835 C   0  0  1  0  0  0  0  0  0  0  0  0
   -1.6989  -10.4290   11.5556 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8738   -9.6157   11.9665 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4296  -11.3422   10.5604 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2014  -11.4636    9.7001 C   0  0  1  0  0  0  0  0  0  0  0  0
    1.1367  -11.3546   10.4292 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2480  -12.2815   11.5762 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.3802  -13.3576   11.7571 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4690  -14.1423   12.8809 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4547  -13.8629   13.8153 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3421  -12.8024   13.6494 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2372  -11.9995   12.5164 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1582  -12.6751    8.7456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9327  -13.6205    8.8667 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8026  -12.6204    7.7634 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4094  -13.8500    7.2609 C   0  0  1  0  0  0  0  0  0  0  0  0
    0.4619  -14.8158    6.5323 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6249  -14.2876    5.5953 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2029  -13.9191    4.1955 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2885  -13.4144    3.2619 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8351  -13.0418    1.9114 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7619  -13.4742    6.6465 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2449  -12.3494    6.7747 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4642  -14.5057    6.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7330   -7.7931    0.4751 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2431   -8.1513    2.1339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9397   -8.0197    1.7393 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1862  -10.1310    0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1830   -9.6681    0.7771 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5419  -11.1552    0.0555 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3031   -9.5966   -0.7224 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5837  -10.2531    2.8813 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9356  -10.2320    4.1819 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2229   -8.8596    3.3507 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2491  -10.0805    5.2675 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0573  -11.3275    5.1483 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1030  -10.4965    2.9601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9709  -11.7513    2.7858 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9252  -11.0161    4.2189 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7906   -8.8438    5.8595 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1091   -6.2884    5.4132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.5483   -4.6991    6.6840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1617   -5.5654    5.9887 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7922   -4.7796    3.7567 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6943   -3.4265    4.8597 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5307   -5.0105    2.7359 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.6610   -8.1890    6.7991 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8433   -7.8795    9.8541 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5040   -7.4203    9.6917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1948   -9.0375   10.1133 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3973   -9.1802    9.3741 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1892   -8.9619    8.4451 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2570  -11.3619    8.2574 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9922  -12.2956    8.9448 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.5915  -12.5096    6.3361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8380  -13.2772    4.7214 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2676  -15.7503    6.2218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9892  -14.8143    6.5027 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3793  -14.8274    5.5740 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4973  -14.8275    4.0743 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.8037  -11.3675    4.5619 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.1303   -9.0645    3.3255 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3814   -8.2541    2.9258 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.2773  -11.6834    2.9161 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.9435  -14.0283    4.0642 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3376  -14.7120    2.6348 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2803  -14.7219    1.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.9740  -15.1179    1.4440 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3283  -14.3780   -0.0105 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1330  -13.2775    1.7079 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2967  -12.3591    0.5453 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0678  -11.2265    1.8426 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.0813   -9.9420    5.3249 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.6264   -8.6088    6.5765 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.3585  -11.4696    7.3437 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4226  -10.1662    6.6513 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1391   -8.8886    8.6873 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2900  -10.3214    9.3410 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1643  -11.8063    8.8117 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.0903  -10.4289    8.2032 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5585   -9.9125   10.3625 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.8326  -11.9411   10.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7353   -8.8105   12.0824 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4276   -9.4811   12.9564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9839   -9.1862    9.3009 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2427  -10.0117    9.2876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6750   -8.3027   10.7834 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3638   -7.7595   10.8218 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9503   -7.8086    8.3532 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4881  -13.2191   12.2306 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2574  -13.0230   12.3278 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.8797  -12.6595   14.5983 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0658  -11.4220   14.1361 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0557  -11.2877   13.9044 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.2135  -10.0110   14.2996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5275   -9.4578   12.1810 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1121  -12.0820   10.4679 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2386  -10.6509    8.9987 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2733  -10.3493   10.8345 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.9766  -11.5102    9.7450 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4198  -13.6040   11.0730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2469  -14.9503   13.0037 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5215  -14.4817   14.6994 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0946  -12.5784   14.3855 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8907  -11.1432   12.3886 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3953  -11.7920    7.6707 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.7229  -14.3795    8.1730 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1001  -15.3179    7.3319 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0131  -15.6123    6.0301 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0942  -13.4283    6.0604 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.3420  -15.0927    5.4837 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3192  -14.7531    3.7260 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4546  -13.1057    4.3876 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7840  -12.5679    3.7347 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0214  -14.2110    3.1482 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4397  -12.1019    1.8592 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7013  -12.8520    1.3750 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9243  -15.0114    5.4961 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1102  1  0  0  0  0
  1103  1  0  0  0  0
  1104  1  0  0  0  0
  2  3  1  0  0  0  0
  2105  1  0  0  0  0
  3106  1  0  0  0  0
  3107  1  0  0  0  0
  3108  1  0  0  0  0
  4 48  1  0  0  0  0
  4  5  1  0  0  0  0
  4  2  1  0  0  0  0
  4109  1  1  0  0  0
  5  6  1  0  0  0  0
  5110  1  0  0  0  0
  6  7  2  0  0  0  0
  8 14  1  0  0  0  0
  8  9  1  0  0  0  0
  8  6  1  0  0  0  0
  8111  1  6  0  0  0
  9 10  1  0  0  0  0
  9112  1  0  0  0  0
  9113  1  0  0  0  0
 10 11  1  0  0  0  0
 10114  1  0  0  0  0
 10115  1  0  0  0  0
 11 12  2  0  0  0  0
 11 13  1  0  0  0  0
 13116  1  0  0  0  0
 14 15  1  0  0  0  0
 14117  1  0  0  0  0
 15 16  2  0  0  0  0
 17 23  1  0  0  0  0
 17 18  1  0  0  0  0
 17 15  1  0  0  0  0
 17118  1  6  0  0  0
 18 19  1  0  0  0  0
 18119  1  0  0  0  0
 18120  1  0  0  0  0
 19 20  1  0  0  0  0
 19121  1  0  0  0  0
 19122  1  0  0  0  0
 20 21  2  0  0  0  0
 20 22  1  0  0  0  0
 22123  1  0  0  0  0
 23 24  1  0  0  0  0
 23124  1  0  0  0  0
 24 25  2  0  0  0  0
 26 31  1  0  0  0  0
 26 27  1  0  0  0  0
 26 24  1  0  0  0  0
 26125  1  1  0  0  0
 27 28  1  0  0  0  0
 27126  1  0  0  0  0
 27127  1  0  0  0  0
 28 29  2  0  0  0  0
 28 30  1  0  0  0  0
 30128  1  0  0  0  0
 31 32  1  0  0  0  0
 31129  1  0  0  0  0
 32 33  2  0  0  0  0
 32 34  1  0  0  0  0
 34 35  1  0  0  0  0
 34130  1  0  0  0  0
 34131  1  0  0  0  0
 35 36  1  0  0  0  0
 35132  1  0  0  0  0
 36 37  2  0  0  0  0
 36 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 40  1  0  0  0  0
 38133  1  6  0  0  0
 39134  1  0  0  0  0
 39135  1  0  0  0  0
 40 41  1  0  0  0  0
 40136  1  0  0  0  0
 40137  1  0  0  0  0
 41 42  1  0  0  0  0
 41 47  2  0  0  0  0
 42 43  2  0  0  0  0
 42138  1  0  0  0  0
 43 44  1  0  0  0  0
 43139  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 45140  1  0  0  0  0
 46 47  1  0  0  0  0
 46141  1  0  0  0  0
 47142  1  0  0  0  0
 48 49  2  0  0  0  0
 48 50  1  0  0  0  0
 50 51  1  0  0  0  0
 50 54  1  0  0  0  0
 51 52  1  0  0  0  0
 51143  1  0  0  0  0
 51144  1  0  0  0  0
 52 53  1  0  0  0  0
 52145  1  0  0  0  0
 52146  1  0  0  0  0
 53 54  1  0  0  0  0
 53147  1  0  0  0  0
 53148  1  0  0  0  0
 54 55  1  0  0  0  0
 54149  1  6  0  0  0
 55 56  2  0  0  0  0
 55 57  1  0  0  0  0
 57 58  1  0  0  0  0
 57150  1  0  0  0  0
 58 59  1  0  0  0  0
 58 66  1  0  0  0  0
 58151  1  6  0  0  0
 59 60  1  0  0  0  0
 59152  1  0  0  0  0
 59153  1  0  0  0  0
 60 61  1  0  0  0  0
 60154  1  0  0  0  0
 60155  1  0  0  0  0
 61 62  1  0  0  0  0
 61156  1  0  0  0  0
 61157  1  0  0  0  0
 62 63  1  0  0  0  0
 62158  1  0  0  0  0
 63 64  2  0  0  0  0
 63 65  1  0  0  0  0
 64159  1  0  0  0  0
 65160  1  0  0  0  0
 65161  1  0  0  0  0
 66 67  2  0  0  0  0
 66 68  1  0  0  0  0
 68 69  1  0  0  0  0
 68162  1  0  0  0  0
 69 70  1  0  0  0  0
 69 72  1  0  0  0  0
 69163  1  6  0  0  0
 70 71  1  0  0  0  0
 70164  1  0  0  0  0
 70165  1  0  0  0  0
 71166  1  0  0  0  0
 72 73  2  0  0  0  0
 72 74  1  0  0  0  0
 74 75  1  0  0  0  0
 74 78  1  0  0  0  0
 75 76  1  0  0  0  0
 75167  1  0  0  0  0
 75168  1  0  0  0  0
 76 77  1  0  0  0  0
 76169  1  0  0  0  0
 76170  1  0  0  0  0
 77 78  1  0  0  0  0
 77171  1  0  0  0  0
 77172  1  0  0  0  0
 78 79  1  0  0  0  0
 78173  1  6  0  0  0
 79 80  2  0  0  0  0
 79 81  1  0  0  0  0
 81 82  1  0  0  0  0
 81174  1  0  0  0  0
 82 83  1  0  0  0  0
 82 90  1  0  0  0  0
 82175  1  6  0  0  0
 83 84  1  0  0  0  0
 83176  1  0  0  0  0
 83177  1  0  0  0  0
 84 85  1  0  0  0  0
 84 89  2  0  0  0  0
 85 86  2  0  0  0  0
 85178  1  0  0  0  0
 86 87  1  0  0  0  0
 86179  1  0  0  0  0
 87 88  2  0  0  0  0
 87180  1  0  0  0  0
 88 89  1  0  0  0  0
 88181  1  0  0  0  0
 89182  1  0  0  0  0
 90 91  2  0  0  0  0
 90 92  1  0  0  0  0
 92 93  1  0  0  0  0
 92183  1  0  0  0  0
 93 94  1  0  0  0  0
 93 99  1  0  0  0  0
 93184  1  1  0  0  0
 94 95  1  0  0  0  0
 94185  1  0  0  0  0
 94186  1  0  0  0  0
 95 96  1  0  0  0  0
 95187  1  0  0  0  0
 95188  1  0  0  0  0
 96 97  1  0  0  0  0
 96189  1  0  0  0  0
 96190  1  0  0  0  0
 97 98  1  0  0  0  0
 97191  1  0  0  0  0
 97192  1  0  0  0  0
 98193  1  0  0  0  0
 98194  1  0  0  0  0
 99100  2  0  0  0  0
 99101  1  0  0  0  0
101195  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2025-09-24, 413👍, 0💬