Molecule FYI-1005056

A

Molecule Summary:

ID: FYI-1005056
Names:
InChIKey: JEJDTEACIAXKQY-UHFFFAOYSA-O
SMILES: Cc1c(N)nc(C(CC(=O)O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc3nc(c2nc(C(=O)NCCC[S+](C)C)cs2)cs3)C(C)O)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(N)=O)C5O)c6cnc[nH]6.N

Received at FYIcenter.com on: 2023-10-11

Molecule ID: FYI-1005056 Edit

Molecule Structure InChIKey: JEJDTEACIAXKQY-UHFFFAOYSA-O

Molecule Structure SMILES String: Cc1c(N)nc(C(CC(=O)O)NCC(N)C(N)=O)nc1C(=O)NC(C(=O)NC(C)C(O)C(C)C(=O)NC(C(=O)NCCc3nc(c2nc(C(=O)NCCC[S+](C)C)cs2)cs3)C(C)O)C(OC4OC(CO)C(O)C(O)C4OC5OC(CO)C(O)C(OC(N)=O)C5O)c6cnc[nH]6.N

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1005056
FYIcenter.com

 97101  0  0  0  0  0  0  0  0999 V2000
    8.4000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    8.4871    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    7.2747    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    9.6995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   14.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000   12.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000   12.1244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000   12.1244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1000    8.4871    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.6995    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000   10.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    8.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000   10.9119    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   10.9119    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000   12.1244    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000   13.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   12.1244    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000   14.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000   12.1244    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000   14.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1000   15.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.2000   14.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.9000   13.3368    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.9000   15.7616    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.3000   15.7616    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000   16.9742    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3000   18.1866    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4000   16.9742    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.1000   18.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.5000   18.1866    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.2000   19.3990    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.5923   19.5453    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   26.8834   20.9148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.1623   21.4842    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.3748   20.7841    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   30.4152   21.7209    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.7845   21.4298    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7214   22.4703    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.2173   20.0984    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   33.5866   19.8074    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   34.0192   18.4758    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.3887   18.1848    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   35.8213   16.8532    0.0000 S   0  3  0  0  0  0  0  0  0  0  0  0
   34.8845   15.8129    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   37.1906   16.5622    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.8458   22.9999    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   28.4534   22.8536    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   25.6710   21.6148    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.6305   20.6780    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
   21.0000   14.5492    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.3000   13.3368    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   22.4000   14.5492    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    8.4871    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    7.2747    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    7.2747    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.8000    4.8497    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.7000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.6000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.9000    6.0621    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.5000    1.2124    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.8000    0.0000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    1.2124    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    3.6373    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    3.6373    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.6000    2.4248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3000    1.2124    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2000    2.4248    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4000    4.8497    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7000    6.0621    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.0000    9.6995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8228    8.5669    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1543    8.9995    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.1543   10.3995    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.8228   10.8321    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   23.2404    8.2324    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  0  0  0  0
  3  2  2  0  0  0  0
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  2  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  2  0  0  0  0
 11  9  1  0  0  0  0
 12  7  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  1  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 16  2  0  0  0  0
 19  6  1  0  0  0  0
 20 19  2  0  0  0  0
 20  2  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 23  1  0  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 28  1  0  0  0  0
 31 30  1  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 32  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 37 36  1  0  0  0  0
 38 37  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  1  0  0  0  0
 44 43  2  0  0  0  0
 45 44  1  0  0  0  0
 46 45  1  0  0  0  0
 47 46  2  0  0  0  0
 48 47  1  0  0  0  0
 49 48  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  1  0  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 57 55  1  0  0  0  0
 58 48  2  0  0  0  0
 59 58  1  0  0  0  0
 59 46  1  0  0  0  0
 60 45  2  0  0  0  0
 61 60  1  0  0  0  0
 61 43  1  0  0  0  0
 62 37  1  0  0  0  0
 63 62  1  0  0  0  0
 64 62  1  0  0  0  0
 65 24  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  1  0  0  0  0
 71 70  1  0  0  0  0
 72 69  1  0  0  0  0
 73 72  1  0  0  0  0
 74 72  1  0  0  0  0
 75 74  1  0  0  0  0
 76 74  1  0  0  0  0
 76 67  1  0  0  0  0
 77 76  1  0  0  0  0
 78 77  1  0  0  0  0
 79 78  1  0  0  0  0
 80 79  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  1  0  0  0  0
 83 80  1  0  0  0  0
 84 83  1  0  0  0  0
 85 83  1  0  0  0  0
 86 85  1  0  0  0  0
 87 86  1  0  0  0  0
 88 87  1  0  0  0  0
 89 87  2  0  0  0  0
 90 85  1  0  0  0  0
 90 78  1  0  0  0  0
 91 90  1  0  0  0  0
 92 65  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
 96 92  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1005056-3D
FYIcenter.com

183187  0  0  1  0  0  0  0  0999 V2000
    3.8250    4.5494   -0.3656 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.4671    3.3250   -0.9073 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.7521    3.3459   -1.4453 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.4615    4.5176   -1.6679 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.3190    2.2569   -1.9300 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6417    1.0940   -1.8867 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3719   -0.0579   -2.5773 C   0  0  3  0  0  0  0  0  0  0  0  0
    5.8037   -0.0855   -3.9974 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.2689   -1.2552   -4.7940 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5279   -1.9845   -5.4375 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6197   -1.3997   -4.8289 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.8723    0.1650   -2.6549 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.4673    0.0880   -1.2848 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9763    0.4350   -1.2637 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2680    1.7376   -1.9301 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.4726    0.4652    0.1967 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6510    1.1292    0.3928 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.9093   -0.1000    1.1280 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.3813    0.9557   -1.4520 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.8091    2.0855   -0.9999 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2680    1.9117   -0.8303 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7876    0.8674   -0.4017 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.4767    2.7572   -1.5896 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2409    3.4792   -1.2055 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.3050    4.6095   -2.1943 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0489    4.5297   -3.3601 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.1076    5.6461   -1.8051 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.4035    6.6857   -2.7672 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4740    7.7991   -2.3130 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.9710    6.8346   -2.9651 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.5145    5.5069   -3.0984 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4247    7.5470   -4.2524 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.5815    8.7513   -4.3851 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8677    8.0169   -4.3223 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6670    7.9180   -3.4033 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1697    8.6469   -5.5211 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5116    9.1656   -5.7867 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.8597    8.7530   -7.2172 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.7824    7.9808   -7.4670 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0310    9.2756   -8.1890 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1801    8.9260   -9.5848 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9368    7.4485   -9.8786 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5231    7.0095   -9.5966 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6929    7.5107   -8.6916 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.4766    6.8227   -8.7241 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2900    7.1589   -7.8156 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1726    8.2694   -7.0939 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0448    8.2671   -6.3538 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4491    9.3323   -5.3652 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4853    9.2241   -4.7148 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.4717   10.3644   -5.1482 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.4269   11.3678   -4.0619 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.1364   11.1563   -2.6739 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6766   11.2712   -2.4958 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.1569   10.6023   -0.8228 S   0  3  0  0  0  0  0  0  0  0  0  0
    4.9250   10.2885   -1.0925 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4182   12.2246   -0.0681 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7533    7.0822   -6.4870 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0306    6.0592   -7.6421 S   0  0  0  0  0  0  0  0  0  0  0  0
    2.4333    5.8000   -9.6573 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9007    5.6990  -10.5238 S   0  0  0  0  0  0  0  0  0  0  0  0
    6.6388   10.6966   -5.6271 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.2886   11.1819   -4.2322 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9764   11.1267   -5.8957 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2553    2.9761   -1.0649 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.0740    2.1501   -1.9157 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0909    1.9924   -3.3496 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.8884    2.1700   -4.0781 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.9250    2.8690   -5.3320 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.4654    2.6741   -5.9506 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.8054    1.2913   -6.0137 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0586    2.5068   -6.2976 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.9927    1.2278   -6.9349 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4053    2.6342   -5.5927 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.4100    2.0511   -6.4677 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4561    1.9382   -4.2050 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7349    2.2691   -3.6124 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2587    1.4092   -2.5888 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.7737    0.0708   -2.6158 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.2990   -0.7550   -3.6825 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5309   -2.0736   -3.5686 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7963   -2.9124   -4.6746 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8620   -0.8263   -3.7041 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.3786   -1.4388   -2.5122 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.3312    0.6605   -3.8498 C   0  0  3  0  0  0  0  0  0  0  0  0
   -8.7216    1.0368   -4.0570 O   0  0  0  0  0  0  0  0  0  0  0  0
   -9.4772    0.5094   -5.0411 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.1870    1.4805   -5.6836 N   0  0  0  0  0  0  0  0  0  0  0  0
   -9.5420   -0.6643   -5.3545 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8218    1.3919   -2.5768 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.3913    2.6917   -2.3761 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4095    2.3733    0.3483 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7655    2.6203    1.5547 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.2797    1.8592    2.5660 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2094    1.1289    2.0028 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.3242    1.4064    0.6688 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.9420    0.2076   -3.0729 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.4770    5.4292   -0.3427 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4199    4.3926    0.6318 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0152    4.7968   -1.0205 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.5145    5.2009   -0.9298 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3561    4.3133   -2.0830 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1703   -0.9920   -2.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0407    0.8307   -4.5519 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.7107   -0.1467   -3.9514 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0570   -0.7978   -4.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9735    1.1510   -2.9330 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3110   -0.9119   -0.8654 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.9637    0.7975   -0.6152 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5436   -0.3464   -1.7826 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6114    2.4315   -1.5680 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.0439    1.6335   -2.9202 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9986    1.7323   -0.3443 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9875    1.2387    1.3392 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0342    3.2777   -2.2595 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4970    3.9493   -0.2426 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2855    5.8390   -0.8259 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0363    6.3717   -3.7504 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8266    8.2745   -1.3950 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5308    7.4046   -2.0917 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.2984    8.5264   -3.0891 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4055    7.2942   -2.0691 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1485    5.1117   -3.9080 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2648    6.8952   -5.1212 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3414    9.1022   -3.3937 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6630    8.3912   -4.7933 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.9704    9.5733   -4.9889 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5543    8.4887   -6.3198 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.2279    8.6665   -5.1243 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2911    9.9203   -7.9454 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.1983    9.2000   -9.8837 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4813    9.5508  -10.1517 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.6244    6.8105   -9.3117 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1723    7.2853  -10.9389 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2110   10.4224   -5.8403 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.6363   11.5020   -3.8311 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8008   12.2966   -4.4958 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7732   10.2427   -2.2138 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.7287   11.9338   -2.0135 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0108   12.3040   -2.5950 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2665   10.7122   -3.2093 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0505    9.3123   -1.5584 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.4473   10.2607   -0.1292 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3727   11.0682   -1.7054 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4407   12.6786    0.0957 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.0202   12.8578   -0.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9369   12.1030    0.8855 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6510    6.7712   -5.9699 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6278    5.1252   -9.9081 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9880   11.2209   -6.3358 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9217   10.6999   -3.4801 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2424   10.9818   -4.0053 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4551   12.2611   -4.1414 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.5711   10.6638   -5.2770 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.8439    3.9079   -0.9996 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0016    0.9035   -3.2715 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0731    3.9360   -5.1439 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.2295    3.1678   -5.3404 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5253    3.0848   -6.9625 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8660    0.9720   -5.0871 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0432    3.2200   -7.1345 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7594    0.5454   -6.2823 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6816    3.6892   -5.4962 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.9183    1.4900   -7.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.5174    0.8919   -4.5090 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9330    1.8698   -1.6516 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0217   -0.3258   -4.6494 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7463   -2.5975   -2.6316 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4525   -1.8534   -3.5544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5376   -3.8144   -4.4163 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.2017   -1.4405   -4.5438 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6613   -1.5732   -1.8698 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.8249    1.0781   -4.7280 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.9416    2.4527   -5.5753 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7955    1.2150   -6.4479 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.1476    0.8118   -1.7038 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.9721    3.3019   -2.9931 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0546    3.3081    1.7736 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8204    0.3914    2.5072 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9615    0.9676    0.0186 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.8509    0.3493   -2.6307 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6014   -0.6235   -2.5798 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.3447    0.9641   -2.7301 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 98  1  0  0  0  0
  1 99  1  0  0  0  0
  1100  1  0  0  0  0
  2  3  1  0  0  0  0
  2 20  2  0  0  0  0
  3  4  1  0  0  0  0
  3  5  2  0  0  0  0
  4101  1  0  0  0  0
  4102  1  0  0  0  0
  5  6  1  0  0  0  0
  6  7  1  0  0  0  0
  6 19  2  0  0  0  0
  7  8  1  0  0  0  0
  7 12  1  0  0  0  0
  7103  1  0  0  0  0
  8  9  1  0  0  0  0
  8104  1  0  0  0  0
  8105  1  0  0  0  0
  9 10  2  0  0  0  0
  9 11  1  0  0  0  0
 11106  1  0  0  0  0
 12 13  1  0  0  0  0
 12107  1  0  0  0  0
 13 14  1  0  0  0  0
 13108  1  0  0  0  0
 13109  1  0  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14110  1  0  0  0  0
 15111  1  0  0  0  0
 15112  1  0  0  0  0
 16 17  1  0  0  0  0
 16 18  2  0  0  0  0
 17113  1  0  0  0  0
 17114  1  0  0  0  0
 19 20  1  0  0  0  0
 20 21  1  0  0  0  0
 21 22  2  0  0  0  0
 21 23  1  0  0  0  0
 23 24  1  0  0  0  0
 23115  1  0  0  0  0
 24 25  1  0  0  0  0
 24 65  1  0  0  0  0
 24116  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
 27117  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 28118  1  0  0  0  0
 29119  1  0  0  0  0
 29120  1  0  0  0  0
 29121  1  0  0  0  0
 30 31  1  0  0  0  0
 30 32  1  0  0  0  0
 30122  1  0  0  0  0
 31123  1  0  0  0  0
 32 33  1  0  0  0  0
 32 34  1  0  0  0  0
 32124  1  0  0  0  0
 33125  1  0  0  0  0
 33126  1  0  0  0  0
 33127  1  0  0  0  0
 34 35  2  0  0  0  0
 34 36  1  0  0  0  0
 36 37  1  0  0  0  0
 36128  1  0  0  0  0
 37 38  1  0  0  0  0
 37 62  1  0  0  0  0
 37129  1  0  0  0  0
 38 39  2  0  0  0  0
 38 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40130  1  0  0  0  0
 41 42  1  0  0  0  0
 41131  1  0  0  0  0
 41132  1  0  0  0  0
 42 43  1  0  0  0  0
 42133  1  0  0  0  0
 42134  1  0  0  0  0
 43 44  2  0  0  0  0
 43 61  1  0  0  0  0
 44 45  1  0  0  0  0
 45 46  1  0  0  0  0
 45 60  2  0  0  0  0
 46 47  2  0  0  0  0
 46 59  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 58  2  0  0  0  0
 49 50  2  0  0  0  0
 49 51  1  0  0  0  0
 51 52  1  0  0  0  0
 51135  1  0  0  0  0
 52 53  1  0  0  0  0
 52136  1  0  0  0  0
 52137  1  0  0  0  0
 53 54  1  0  0  0  0
 53138  1  0  0  0  0
 53139  1  0  0  0  0
 54 55  1  0  0  0  0
 54140  1  0  0  0  0
 54141  1  0  0  0  0
 55 56  1  0  0  0  0
 55 57  1  0  0  0  0
 56142  1  0  0  0  0
 56143  1  0  0  0  0
 56144  1  0  0  0  0
 57145  1  0  0  0  0
 57146  1  0  0  0  0
 57147  1  0  0  0  0
 58 59  1  0  0  0  0
 58148  1  0  0  0  0
 60 61  1  0  0  0  0
 60149  1  0  0  0  0
 62 63  1  0  0  0  0
 62 64  1  0  0  0  0
 62150  1  0  0  0  0
 63151  1  0  0  0  0
 63152  1  0  0  0  0
 63153  1  0  0  0  0
 64154  1  0  0  0  0
 65 66  1  0  0  0  0
 65 92  1  0  0  0  0
 65155  1  0  0  0  0
 66 67  1  0  0  0  0
 67 68  1  0  0  0  0
 67 76  1  0  0  0  0
 67156  1  0  0  0  0
 68 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 72  1  0  0  0  0
 69157  1  0  0  0  0
 70 71  1  0  0  0  0
 70158  1  0  0  0  0
 70159  1  0  0  0  0
 71160  1  0  0  0  0
 72 73  1  0  0  0  0
 72 74  1  0  0  0  0
 72161  1  0  0  0  0
 73162  1  0  0  0  0
 74 75  1  0  0  0  0
 74 76  1  0  0  0  0
 74163  1  0  0  0  0
 75164  1  0  0  0  0
 76 77  1  0  0  0  0
 76165  1  0  0  0  0
 77 78  1  0  0  0  0
 78 79  1  0  0  0  0
 78 90  1  0  0  0  0
 78166  1  0  0  0  0
 79 80  1  0  0  0  0
 80 81  1  0  0  0  0
 80 83  1  0  0  0  0
 80167  1  0  0  0  0
 81 82  1  0  0  0  0
 81168  1  0  0  0  0
 81169  1  0  0  0  0
 82170  1  0  0  0  0
 83 84  1  0  0  0  0
 83 85  1  0  0  0  0
 83171  1  0  0  0  0
 84172  1  0  0  0  0
 85 86  1  0  0  0  0
 85 90  1  0  0  0  0
 85173  1  0  0  0  0
 86 87  1  0  0  0  0
 87 88  1  0  0  0  0
 87 89  2  0  0  0  0
 88174  1  0  0  0  0
 88175  1  0  0  0  0
 90 91  1  0  0  0  0
 90176  1  0  0  0  0
 91177  1  0  0  0  0
 92 93  2  0  0  0  0
 92 96  1  0  0  0  0
 93 94  1  0  0  0  0
 93178  1  0  0  0  0
 94 95  2  0  0  0  0
 95 96  1  0  0  0  0
 95179  1  0  0  0  0
 96180  1  0  0  0  0
 97181  1  0  0  0  0
 97182  1  0  0  0  0
 97183  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-10-27, 3128👍, 0💬