Molecule FYI-1002348

A

Molecule Summary:

ID: FYI-1002348
Names:
InChIKey: CLKOFPXJLQSYAH-UHFFFAOYSA-N
SMILES: CCC(C)C(N)C4=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC3CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC3=O)C(C)CC)CS4

Received at FYIcenter.com on: 2023-03-03

Molecule ID: FYI-1002348 Edit

Molecule Structure InChIKey: CLKOFPXJLQSYAH-UHFFFAOYSA-N

Molecule Structure SMILES String: CCC(C)C(N)C4=NC(C(=O)NC(CC(C)C)C(=O)NC(CCC(=O)O)C(=O)NC(C(=O)NC3CCCCNC(=O)C(CC(N)=O)NC(=O)C(CC(=O)O)NC(=O)C(Cc1cnc[nH]1)NC(=O)C(Cc2ccccc2)NC(=O)C(C(C)CC)NC(=O)C(CCCN)NC3=O)C(C)CC)CS4

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1002348
FYIcenter.com

100103  0  0  0  0  0  0  0  0999 V2000
    9.3062    1.8143    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.0808    2.9804    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4584    4.2344    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.0611    4.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2331    5.4004    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.4871    4.7780    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0267    3.4558    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.8565    4.4869    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2552    4.5455    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.5955    4.9502    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1649    3.6713    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.7931    5.6754    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7726    6.6757    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.4726    7.8881    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7632    7.3456    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8490    9.2365    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   18.8784   10.6362    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.5586   11.9992    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.8709   12.4872    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.9101   13.2400    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9733   14.2803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8072   15.0551    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.4297   16.3090    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.4850   15.5155    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.0900   15.6326    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.7096   15.3991    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4306   14.8297    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.3335   13.9601    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.9445   11.5544    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.5960   11.9309    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.7400   10.1694    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.8864    8.7770    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3743    7.4649    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.1336    6.8162    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.1733    6.3153    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.5233    8.4574    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5650    9.4779    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2019    9.1582    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2436   10.1788    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   13.5450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   14.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   15.6450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   15.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   14.9450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   15.6450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   13.5450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   12.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   17.0450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   17.7450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   17.0450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   19.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622   19.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2746   19.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   19.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   21.2449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   19.1450    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   19.8450    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373   21.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   21.9449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   21.9449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   21.2449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   19.8450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   19.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   19.1450    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249   23.3449    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   24.0449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000   23.3449    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124   25.4449    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0798   26.2679    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.5124   27.5993    0.0000 S   0  0  0  0  0  0  0  0  0  0  0  0
    1.9124   27.5993    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3451   26.2679    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.7353   28.7319    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1277   28.5856    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.6971   27.3067    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9506   29.7182    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.3429   29.5718    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.1659   30.0109    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.8880   15.3401    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.2633   15.0778    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7237   13.7556    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.1781   16.1376    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   20.2706   10.7826    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.0936    9.6499    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.5241    8.3710    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   22.4859    9.7962    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.8877    5.8292    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.7123    4.4403    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.7328    3.4819    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.1366    2.2152    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   17.7478    2.3906    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4854    3.7658    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.4888    3.1651    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.4100    2.2728    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.6435    0.8924    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.5648    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2526    0.4879    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.0191    1.8683    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0978    2.7608    0.0000 C   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
  4  3  1  0  0  0  0
  5  3  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  2  0  0  0  0
  8  6  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  2  0  0  0  0
 12 10  1  0  0  0  0
 13 12  1  0  0  0  0
 14 13  1  0  0  0  0
 15 14  2  0  0  0  0
 16 14  1  0  0  0  0
 17 16  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  2  0  0  0  0
 20 18  1  0  0  0  0
 21 20  1  0  0  0  0
 22 21  1  0  0  0  0
 23 22  2  0  0  0  0
 24 22  1  0  0  0  0
 25 24  1  0  0  0  0
 26 25  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  2  0  0  0  0
 32 30  1  0  0  0  0
 33 32  1  0  0  0  0
 34 33  1  0  0  0  0
 35 34  2  0  0  0  0
 36 34  1  0  0  0  0
 36  5  1  0  0  0  0
 37 33  1  0  0  0  0
 38 37  1  0  0  0  0
 39 38  1  0  0  0  0
 40 39  1  0  0  0  0
 41 29  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  0  0  0  0
 46 45  1  0  0  0  0
 47 45  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  2  0  0  0  0
 52 50  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  2  0  0  0  0
 57 55  1  0  0  0  0
 58 52  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  2  0  0  0  0
 61 59  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 64 63  1  0  0  0  0
 65 63  1  0  0  0  0
 66 61  1  0  0  0  0
 67 66  1  0  0  0  0
 68 67  2  0  0  0  0
 69 67  1  0  0  0  0
 70 69  1  0  0  0  0
 71 70  1  0  0  0  0
 72 71  1  0  0  0  0
 73 72  2  0  0  0  0
 73 69  1  0  0  0  0
 74 72  1  0  0  0  0
 75 74  1  0  0  0  0
 76 75  1  0  0  0  0
 77 75  1  0  0  0  0
 78 77  1  0  0  0  0
 79 74  1  0  0  0  0
 80 21  1  0  0  0  0
 81 80  1  0  0  0  0
 82 81  2  0  0  0  0
 83 81  1  0  0  0  0
 84 17  1  0  0  0  0
 85 84  1  0  0  0  0
 86 85  2  0  0  0  0
 87 85  1  0  0  0  0
 88 13  1  0  0  0  0
 89 88  1  0  0  0  0
 90 89  2  0  0  0  0
 91 90  1  0  0  0  0
 92 91  2  0  0  0  0
 93 92  1  0  0  0  0
 93 89  1  0  0  0  0
 94  9  1  0  0  0  0
 95 94  1  0  0  0  0
 96 95  2  0  0  0  0
 97 96  1  0  0  0  0
 98 97  2  0  0  0  0
 99 98  1  0  0  0  0
100 99  2  0  0  0  0
100 95  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1002348-3D
FYIcenter.com

203206  0  0  1  0  0  0  0  0999 V2000
   17.1447  -19.5692  -12.5646 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.2827  -18.3707  -11.6382 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.5065  -18.5484  -10.3149 C   0  0  3  0  0  0  0  0  0  0  0  0
   17.0241  -19.7833   -9.5587 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6106  -17.2874   -9.4225 C   0  0  3  0  0  0  0  0  0  0  0  0
   16.0591  -16.0926  -10.0880 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.7986  -17.4724   -8.1386 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5023  -17.6170   -8.1327 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.0181  -17.5281   -6.7276 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5634  -16.0326   -6.4970 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.2804  -15.2131   -5.9274 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.3095  -15.6938   -7.0251 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7034  -14.3022   -7.1409 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.5298  -13.4432   -8.0844 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.7757  -13.9887   -9.5037 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5459  -14.5919  -10.1715 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.2888  -12.8157  -10.3334 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1492  -14.3081   -7.5742 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.4931  -15.3465   -7.3760 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.4256  -13.3530   -8.2719 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.1539  -11.8708   -8.2265 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.8922  -10.9918   -9.2471 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6694  -11.3007  -10.7213 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.4764  -10.3456  -11.5474 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5930  -10.5631  -11.9916 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.8280   -9.1837  -11.7605 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.6926  -11.4071   -8.3761 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.3360  -10.2650   -8.1412 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.7749  -12.2203   -8.8744 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.3899  -11.7365   -9.0200 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.6975  -11.0630   -7.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7597  -11.8431   -6.9408 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8229   -9.4344   -6.2467 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.4431   -7.7660   -6.3139 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.8874   -7.2956   -4.6152 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1619   -7.3369   -3.2146 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.8785   -6.8475   -1.5456 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.2052   -7.2692   -0.0330 C   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7862   -7.5957    1.3575 N   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0964   -8.7572    1.4198 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0228   -8.5672    1.9040 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6292   -9.9502    0.3866 C   0  0  3  0  0  0  0  0  0  0  0  0
   -3.0812  -10.3590    0.2443 C   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4724  -10.9519    1.5131 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.7460  -10.6882    1.8614 N   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7212  -11.6502    2.1741 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4321   -9.5764   -0.9858 N   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3266   -9.9337   -1.5927 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.4331  -10.1825   -2.7954 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.8570   -9.5600   -0.7306 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5254  -10.2161    0.4715 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.7003   -9.3508    1.0399 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8436   -9.3003    0.6201 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4326   -8.5000    2.0348 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.6156   -9.6658   -1.8568 N   0  0  0  0  0  0  0  0  0  0  0  0
    2.5260   -8.7605   -1.6101 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.4301   -9.6212   -1.4522 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4376   -6.9585   -1.9603 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.5679   -5.5452   -2.3545 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2001   -5.0417   -1.1019 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7647   -5.3666    0.0890 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0720   -4.7405    1.0508 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.2023   -3.9832    0.4122 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.1150   -4.2716   -0.9041 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.5842   -7.2041   -2.6512 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.9066   -8.8618   -3.2034 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.9437   -8.3978   -2.5842 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.4209   -9.7884   -4.9778 C   0  0  3  0  0  0  0  0  0  0  0  0
    2.0905  -10.2963   -4.9505 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4708   -8.8831   -5.3187 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.9557   -7.7330   -4.6765 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.1823   -6.1490   -4.8244 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0448   -5.4735   -5.5006 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.7477   -6.2169   -6.3524 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.3865   -7.9011   -6.3819 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2948   -9.5300   -7.0751 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.8308   -8.8483   -7.9297 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.7662   -8.8887   -9.1574 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.5135   -8.3715   -6.7467 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.9086   -8.2367   -4.8525 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.6476   -9.2385   -3.4617 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.3585   -7.8989   -4.5406 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.9246   -9.2563   -4.8581 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.8865   -8.0747   -7.4547 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.0308   -7.4000   -8.6291 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.1169   -7.4552   -9.2108 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.6624   -6.9237   -9.1904 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4945   -5.5990   -9.8057 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.5176   -4.9088  -10.6286 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9411   -3.5125  -10.9344 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.6534   -3.5110  -11.6361 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.6217   -6.6962   -8.0241 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.2411   -6.4952   -7.6146 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.2175   -5.2416   -7.5223 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.9985  -13.1292  -10.2298 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.4991  -13.2310  -10.3732 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.5150  -13.3395  -11.8979 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9671  -13.4535  -12.4221 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.1264  -18.0284   -5.7916 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.6573  -17.5507   -6.6173 S   0  0  0  0  0  0  0  0  0  0  0  0
   17.6807  -19.3888  -13.5000 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0908  -19.7515  -12.7974 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5645  -20.4758  -12.1221 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9152  -17.4959  -12.1857 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.3433  -18.1888  -11.4256 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4491  -18.7236  -10.5575 H   0  0  0  0  0  0  0  0  0  0  0  0
   18.0910  -19.6804   -9.3340 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.8815  -20.6990  -10.1382 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4883  -19.9444   -8.6196 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.6606  -17.0866   -9.1768 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0809  -16.2642  -10.3200 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5473  -15.8862  -10.9544 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.1475  -18.1845   -6.6097 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7314  -16.4634   -7.3376 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7714  -13.8716   -6.1365 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5093  -13.2361   -7.6332 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0359  -12.4734   -8.1451 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5463  -14.7651   -9.4655 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7661  -13.8453  -10.2588 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1387  -15.4321   -9.6055 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7535  -14.9511  -11.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5393  -12.0228  -10.3337 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.4855  -13.0996  -11.3692 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1988  -12.3919   -9.8978 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6271  -13.8538   -8.6249 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3788  -11.5363   -7.2103 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9492  -10.9407   -8.9992 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5437   -9.9578   -9.1218 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6245  -11.1769  -11.0246 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9390  -12.3094  -11.0194 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.1567   -8.9731  -11.0837 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0347  -13.1460   -9.1845 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2859  -10.9394   -9.7639 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.6488   -9.6538   -5.7468 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5075   -7.3453   -6.2525 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2160   -8.0506   -3.7612 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9866   -8.2026   -4.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7294   -7.7276   -3.7920 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5725   -8.0203   -2.5723 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.1765   -6.8146   -0.7172 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.4829   -5.9795   -1.7994 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.0282   -6.5736    0.1132 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8522   -8.1220   -0.0921 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.6061   -6.9835    2.1757 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0305  -10.8445    0.5951 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.1763  -11.1103   -0.5608 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.7858   -9.5978   -0.1167 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.3776  -10.0990    1.3336 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0734  -11.1771    2.6781 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.1829   -9.5470   -1.6677 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8176   -8.4881   -0.4919 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.8761  -11.2237    0.2396 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.8195  -10.3713    1.2718 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.5305   -8.1213    1.9944 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0523  -10.5934   -1.9355 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.1722   -6.7502   -2.9364 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6805   -5.5273   -3.0500 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.0984   -4.7845   -2.9543 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6166   -6.0302    0.2353 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.3573   -3.1773    0.8318 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.5640   -3.9727   -1.6038 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1567   -6.3776   -2.8339 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1040  -10.6413   -4.7959 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.6994  -10.5167   -3.9803 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.2648  -11.2263   -5.4950 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9261   -8.2968   -4.6339 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2015   -5.7273   -4.6582 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.2037   -4.4006   -5.6022 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0394   -5.4867   -6.7248 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.3392   -8.2079   -6.4987 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6498  -10.0985   -7.6404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3996   -7.3280   -6.4902 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4856   -7.2557   -4.5612 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.3563   -9.9416   -3.0322 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.7499   -9.8688   -3.4810 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7007   -8.5665   -2.5437 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4587   -7.6024   -3.4713 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7105   -7.0191   -5.0920 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.3335  -10.0736   -4.4512 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9456   -9.3998   -4.5697 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7554   -9.5137   -5.8865 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.7958   -8.3956   -7.1315 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4575   -7.7299   -9.9045 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.2835   -4.8792   -9.0063 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5614   -5.7508  -10.3518 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7254   -5.4895  -11.5269 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.4467   -4.7909  -10.0568 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6700   -2.9820  -11.5404 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.8229   -2.9453   -9.9968 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3218   -4.4562  -11.8226 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9316   -3.0797  -11.0543 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.1302   -5.9916   -7.4886 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.3702  -14.0874   -9.8109 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1596  -12.3088  -10.8438 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0837  -13.3661   -9.3815 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.1711  -14.0718  -11.0075 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.9943  -12.6211  -12.5495 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.0871  -14.3121  -12.2484 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5024  -12.5148  -12.3187 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.9884  -13.6712  -13.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.5326  -14.2783  -11.9768 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1206  -19.1268   -5.7225 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.0670  -17.6231   -4.7801 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1101  1  0  0  0  0
  1102  1  0  0  0  0
  1103  1  0  0  0  0
  2  3  1  0  0  0  0
  2104  1  0  0  0  0
  2105  1  0  0  0  0
  3  4  1  0  0  0  0
  3  5  1  0  0  0  0
  3106  1  0  0  0  0
  4107  1  0  0  0  0
  4108  1  0  0  0  0
  4109  1  0  0  0  0
  5  6  1  0  0  0  0
  5  7  1  0  0  0  0
  5110  1  0  0  0  0
  6111  1  0  0  0  0
  6112  1  0  0  0  0
  7  8  2  0  0  0  0
  7100  1  0  0  0  0
  8  9  1  0  0  0  0
  9 10  1  0  0  0  0
  9 99  1  0  0  0  0
  9113  1  0  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12114  1  0  0  0  0
 13 14  1  0  0  0  0
 13 18  1  0  0  0  0
 13115  1  0  0  0  0
 14 15  1  0  0  0  0
 14116  1  0  0  0  0
 14117  1  0  0  0  0
 15 16  1  0  0  0  0
 15 17  1  0  0  0  0
 15118  1  0  0  0  0
 16119  1  0  0  0  0
 16120  1  0  0  0  0
 16121  1  0  0  0  0
 17122  1  0  0  0  0
 17123  1  0  0  0  0
 17124  1  0  0  0  0
 18 19  2  0  0  0  0
 18 20  1  0  0  0  0
 20 21  1  0  0  0  0
 20125  1  0  0  0  0
 21 22  1  0  0  0  0
 21 27  1  0  0  0  0
 21126  1  0  0  0  0
 22 23  1  0  0  0  0
 22127  1  0  0  0  0
 22128  1  0  0  0  0
 23 24  1  0  0  0  0
 23129  1  0  0  0  0
 23130  1  0  0  0  0
 24 25  2  0  0  0  0
 24 26  1  0  0  0  0
 26131  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
 29132  1  0  0  0  0
 30 31  1  0  0  0  0
 30 95  1  0  0  0  0
 30133  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
 33134  1  0  0  0  0
 34 35  1  0  0  0  0
 34 93  1  0  0  0  0
 34135  1  0  0  0  0
 35 36  1  0  0  0  0
 35136  1  0  0  0  0
 35137  1  0  0  0  0
 36 37  1  0  0  0  0
 36138  1  0  0  0  0
 36139  1  0  0  0  0
 37 38  1  0  0  0  0
 37140  1  0  0  0  0
 37141  1  0  0  0  0
 38 39  1  0  0  0  0
 38142  1  0  0  0  0
 38143  1  0  0  0  0
 39 40  1  0  0  0  0
 39144  1  0  0  0  0
 40 41  2  0  0  0  0
 40 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42 47  1  0  0  0  0
 42145  1  0  0  0  0
 43 44  1  0  0  0  0
 43146  1  0  0  0  0
 43147  1  0  0  0  0
 44 45  1  0  0  0  0
 44 46  2  0  0  0  0
 45148  1  0  0  0  0
 45149  1  0  0  0  0
 47 48  1  0  0  0  0
 47150  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 55  1  0  0  0  0
 50151  1  0  0  0  0
 51 52  1  0  0  0  0
 51152  1  0  0  0  0
 51153  1  0  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54154  1  0  0  0  0
 55 56  1  0  0  0  0
 55155  1  0  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 65  1  0  0  0  0
 58156  1  0  0  0  0
 59 60  1  0  0  0  0
 59157  1  0  0  0  0
 59158  1  0  0  0  0
 60 61  2  0  0  0  0
 60 64  1  0  0  0  0
 61 62  1  0  0  0  0
 61159  1  0  0  0  0
 62 63  2  0  0  0  0
 63 64  1  0  0  0  0
 63160  1  0  0  0  0
 64161  1  0  0  0  0
 65 66  1  0  0  0  0
 65162  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
 68 76  1  0  0  0  0
 68163  1  0  0  0  0
 69 70  1  0  0  0  0
 69164  1  0  0  0  0
 69165  1  0  0  0  0
 70 71  1  0  0  0  0
 70 75  2  0  0  0  0
 71 72  2  0  0  0  0
 71166  1  0  0  0  0
 72 73  1  0  0  0  0
 72167  1  0  0  0  0
 73 74  2  0  0  0  0
 73168  1  0  0  0  0
 74 75  1  0  0  0  0
 74169  1  0  0  0  0
 75170  1  0  0  0  0
 76 77  1  0  0  0  0
 76171  1  0  0  0  0
 77 78  2  0  0  0  0
 77 79  1  0  0  0  0
 79 80  1  0  0  0  0
 79 84  1  0  0  0  0
 79172  1  0  0  0  0
 80 81  1  0  0  0  0
 80 82  1  0  0  0  0
 80173  1  0  0  0  0
 81174  1  0  0  0  0
 81175  1  0  0  0  0
 81176  1  0  0  0  0
 82 83  1  0  0  0  0
 82177  1  0  0  0  0
 82178  1  0  0  0  0
 83179  1  0  0  0  0
 83180  1  0  0  0  0
 83181  1  0  0  0  0
 84 85  1  0  0  0  0
 84182  1  0  0  0  0
 85 86  2  0  0  0  0
 85 87  1  0  0  0  0
 87 88  1  0  0  0  0
 87 92  1  0  0  0  0
 87183  1  0  0  0  0
 88 89  1  0  0  0  0
 88184  1  0  0  0  0
 88185  1  0  0  0  0
 89 90  1  0  0  0  0
 89186  1  0  0  0  0
 89187  1  0  0  0  0
 90 91  1  0  0  0  0
 90188  1  0  0  0  0
 90189  1  0  0  0  0
 91190  1  0  0  0  0
 91191  1  0  0  0  0
 92 93  1  0  0  0  0
 92192  1  0  0  0  0
 93 94  2  0  0  0  0
 95 96  1  0  0  0  0
 95 97  1  0  0  0  0
 95193  1  0  0  0  0
 96194  1  0  0  0  0
 96195  1  0  0  0  0
 96196  1  0  0  0  0
 97 98  1  0  0  0  0
 97197  1  0  0  0  0
 97198  1  0  0  0  0
 98199  1  0  0  0  0
 98200  1  0  0  0  0
 98201  1  0  0  0  0
 99100  1  0  0  0  0
 99202  1  0  0  0  0
 99203  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-04-04, 2213👍, 0💬