Molecule FYI-1010167

A

Molecule Summary:

ID: FYI-1010167
Names:
InChIKey: QKJGGXMLLMNPEE-FYXQKJMOSA-N
SMILES: Cc6ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N1[C@@H](C)C[C@H](O)[C@H]1C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c7nc5c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N3CC(O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]4CCl)c(N)c(=O)c(C)c5oc67

Received at FYIcenter.com on: 2024-05-31

Molecule ID: FYI-1010167 Edit

Molecule Structure InChIKey: QKJGGXMLLMNPEE-FYXQKJMOSA-N

Molecule Structure SMILES String: Cc6ccc(C(=O)N[C@@H]2C(=O)N[C@H](C(C)C)C(=O)N1[C@@H](C)C[C@H](O)[C@H]1C(=O)N(C)CC(=O)N(C)[C@@H](C(C)C)C(=O)O[C@@H]2C)c7nc5c(C(=O)N[C@@H]4C(=O)N[C@H](C(C)C)C(=O)N3CC(O)C[C@H]3C(=O)N(C)CC(=O)N(C)[C@@H](C)C(=O)O[C@@H]4CCl)c(N)c(=O)c(C)c5oc67

Download SDF Download SVG Structure in 2D SDF:

FYI-1010167
FYIcenter.com

 92 98  0  0  1  0  0  0  0  0999 V2000
   12.7522    1.7717    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8320    2.9170    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.0454    2.6888    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.6159    3.9698    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5737    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3592    4.2070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.2367    2.8377    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5700    2.0687    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1407    2.1057    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303    2.8047    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303    4.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    4.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158    6.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303    7.0118    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303    8.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158    9.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3592    8.4141    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5737    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.5737   10.5177    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.7882    8.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7882    7.0118    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.5737    6.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.5344    6.9680    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   17.0027    6.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.0086    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3592   11.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303   11.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    4.2070    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    6.3106    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724    4.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    4.9082    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    4.2070    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724    2.8047    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    2.1035    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    4.9082    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289    6.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145    8.4141    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    9.1153    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.3601    8.9331    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7169    8.5803    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3624    6.9251    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579    6.3106    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    5.0094    9.2144    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0893    8.7326    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7062   10.6054    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435   11.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289   10.8098    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.2698    9.4259    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.3749    8.2661    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.8379    6.7653    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.7668    8.8315    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0622    8.2232    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868    9.1153    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013    8.4141    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013   11.2189    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.5013   12.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158   13.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868   13.3223    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9531   12.8890    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3404   14.0214    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.9419   14.9575    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2868   14.7248    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    6.1012   15.5294    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724   16.8282    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8579   14.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8437   13.3121    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435   12.6212    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289   13.3223    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435   15.4259    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4289   14.7248    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6435   16.8282    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.7265   14.0235    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7158   10.5177    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0724    7.0118    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1613   10.3421    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145   11.2189    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2145   12.6212    0.0000 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    2.4289   10.4008    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    6.3106    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1447    0.7011    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9303    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3592    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9875    4.2614    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
  2  1  1  6  0  0  0
  3  2  1  0  0  0  0
  4  3  1  0  0  0  0
  5  4  1  0  0  0  0
  5  6  1  6  0  0  0
  6  2  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  2  0  0  0  0
  9  7  1  0  0  0  0
 10  9  1  0  0  0  0
 11 10  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  1  0  0  0  0
 17 16  2  0  0  0  0
 18 16  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  1  0  0  0  0
 21 20  2  0  0  0  0
 22 20  1  0  0  0  0
 23 22  1  0  0  0  0
 24 23  1  0  0  0  0
 24  5  1  0  0  0  0
 25 24  2  0  0  0  0
 26 23  1  0  0  0  0
 27 19  1  0  0  0  0
 18 28  1  6  0  0  0
 29 28  1  0  0  0  0
 30 28  1  0  0  0  0
 14 31  1  1  0  0  0
 13 32  1  1  0  0  0
 33 32  1  0  0  0  0
 34 33  2  0  0  0  0
 35 33  1  0  0  0  0
 36 35  2  0  0  0  0
 37 36  1  0  0  0  0
 38 37  2  0  0  0  0
 39 38  1  0  0  0  0
 40 39  2  0  0  0  0
 40 35  1  0  0  0  0
 41 38  1  0  0  0  0
 42 37  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  2  0  0  0  0
 47 45  1  0  0  0  0
 48 47  2  0  0  0  0
 49 48  1  0  0  0  0
 49 43  1  0  0  0  0
 50 49  2  0  0  0  0
 50 36  1  0  0  0  0
 51 48  1  0  0  0  0
 52 51  2  0  0  0  0
 53 51  1  0  0  0  0
 54 53  1  1  0  0  0
 55 54  1  0  0  0  0
 56 55  1  0  0  0  0
 57 56  1  0  0  0  0
 58 57  2  0  0  0  0
 59 57  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  2  0  0  0  0
 63 61  1  0  0  0  0
 64 63  1  0  0  0  0
 65 64  1  0  0  0  0
 66 65  2  0  0  0  0
 67 65  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
 67 71  1  6  0  0  0
 72 71  1  0  0  0  0
 73 72  2  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
 76 54  1  0  0  0  0
 77 76  2  0  0  0  0
 74 78  1  6  0  0  0
 79 78  1  0  0  0  0
 80 78  1  0  0  0  0
 81 69  1  0  0  0  0
 82 64  1  0  0  0  0
 83 60  1  0  0  0  0
 59 84  1  6  0  0  0
 55 85  1  6  0  0  0
 86 85  1  0  0  0  0
 87 47  1  0  0  0  0
 88 44  1  0  0  0  0
  9 89  1  1  0  0  0
 90 89  1  0  0  0  0
 91 89  1  0  0  0  0
  4 92  1  1  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1010167-3D
FYIcenter.com

175181  0  0  1  0  0  0  0  0999 V2000
    0.8742   -0.2079   -0.0753 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.3780   -0.1427    0.0123 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0150    1.0993    0.0905 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.3845    1.1653    0.2875 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.1669   -0.0109    0.3388 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.6119    0.0981    0.6830 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2402   -0.6482    1.3594 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2684    1.2460    0.1981 N   0  0  0  0  0  0  0  0  0  0  0  0
    8.6717    1.5871    0.5665 C   0  0  2  0  0  0  0  0  0  0  0  0
    8.6746    2.3362    1.9883 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6221    2.5891    2.5730 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9193    2.6981    2.4809 N   0  0  0  0  0  0  0  0  0  0  0  0
   10.2967    3.6474    3.6088 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.6313    5.1542    3.3132 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.1011    5.2320    3.3224 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.9783    5.9911    2.0322 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.9452    3.3019    4.4337 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.0164    2.2287    5.0682 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3513    3.9576    4.1276 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.5068    5.4536    4.1168 C   0  0  1  0  0  0  0  0  0  0  0  0
   14.4823    6.3924    3.2975 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3828    5.5588    3.1890 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.8526    4.4382    2.0673 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.9139    3.5730    1.4320 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7689    3.5126    2.8286 C   0  0  1  0  0  0  0  0  0  0  0  0
   15.2303    3.5924    2.2997 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.1702    3.9827    3.0021 O   0  0  0  0  0  0  0  0  0  0  0  0
   15.4859    2.9796    1.0648 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.7000    2.1795    1.0712 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9234    3.3852   -0.2785 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0077    2.3133   -0.9304 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8469    1.2596   -0.3054 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3753    2.5171   -2.1643 N   0  0  0  0  0  0  0  0  0  0  0  0
   13.4031    3.7357   -2.9890 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.3834    1.5161   -2.6705 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.6572    0.0032   -2.4532 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6408   -0.8511   -3.2275 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.0656   -0.4258   -2.9057 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9369    1.9485   -2.3138 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.1404    2.2757   -3.1936 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.6438    1.9846   -0.9713 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.2718    2.3747   -0.6480 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.1672    3.8809   -0.4793 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.5751   -1.2925    0.1596 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.3393   -2.4896    0.0853 N   0  0  0  0  0  0  0  0  0  0  0  0
    4.7176   -3.6374    0.0570 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.4534   -4.9889   -0.0358 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.9842   -5.1017    0.0310 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.6604   -4.2337    0.5735 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.5990   -6.2494   -0.4902 N   0  0  0  0  0  0  0  0  0  0  0  0
    9.0815   -6.5216   -0.4210 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.5784   -7.8424   -1.2095 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.8426   -8.8270   -1.2914 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8820   -7.7924   -1.7588 N   0  0  0  0  0  0  0  0  0  0  0  0
   11.7223   -8.9382   -2.3812 C   0  0  2  0  0  0  0  0  0  0  0  0
   11.5270  -10.3481   -1.6857 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.2977  -11.1713   -2.1467 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.5607  -10.4030   -0.1517 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.1886   -8.4234   -3.2304 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.9503   -7.7794   -4.2770 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5654   -8.3496   -2.8356 N   0  0  0  0  0  0  0  0  0  0  0  0
   15.3634   -9.5204   -2.5338 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9444   -9.9678   -1.1390 C   0  0  3  0  0  0  0  0  0  0  0  0
   14.2420  -11.0797   -1.7670 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5771   -8.4263   -0.6449 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.9024   -7.4542   -1.7556 C   0  0  1  0  0  0  0  0  0  0  0  0
   16.3553   -6.8805   -1.4550 C   0  0  0  0  0  0  0  0  0  0  0  0
   17.4165   -7.4396   -1.7345 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.3767   -5.7023   -0.7125 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.8686   -4.4945   -1.3596 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.8404   -5.5998    0.6531 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4060   -5.0261    0.7278 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.8633   -4.6152   -0.2987 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.7847   -4.9540    1.9727 N   0  0  0  0  0  0  0  0  0  0  0  0
   14.2553   -5.6810    3.1530 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.4809   -4.2478    2.1513 C   0  0  1  0  0  0  0  0  0  0  0  0
   12.1712   -3.0666    1.2351 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.2752   -5.1879    2.2677 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.8469   -5.5761    3.3537 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8089   -5.6148    1.0592 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6159   -6.4662    1.0646 C   0  0  2  0  0  0  0  0  0  0  0  0
    9.9383   -7.8140    1.7226 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.5127   -8.8476    1.9485 Cl  0  0  0  0  0  0  0  0  0  0  0  0
    4.7175   -6.1398   -0.0672 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.2447   -7.4459   -0.1229 N   0  0  0  0  0  0  0  0  0  0  0  0
    3.2290   -6.1126   -0.0160 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.6144   -7.1784    0.0385 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5160   -4.8307   -0.0080 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.0091   -4.8665   -0.0238 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2089   -3.6856    0.0212 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4890   -2.5010    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.1740   -1.3131    0.0540 C   0  0  0  0  0  0  0  0  0  0  0  0
    0.4324    0.7949   -0.1453 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.4636   -0.6863    0.8220 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5620   -0.7661   -0.9611 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.4264    2.0193    0.0469 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.8495    2.1417    0.3992 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.7550    1.9251   -0.3394 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2273    0.6514    0.7025 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6220    2.6614    1.7677 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6580    3.3048    4.4402 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8889    5.7624    4.1926 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6831    4.9907    2.3389 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8035    6.2706    3.5212 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.6560    4.5998    4.0858 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2593    5.8728    1.2235 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9319    5.8230    1.5420 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9471    7.0600    2.2886 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3867    5.8329    5.1383 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.0610    6.6958    2.3141 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.4755    6.0509    3.0489 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.5539    7.3655    3.7953 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.1784    6.5778    2.8583 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.6152    5.3711    3.9169 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3643    5.0031    1.2915 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2808    2.6543    1.4895 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5762    2.4312    2.8150 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.9423    1.8655    2.0967 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.5286    2.7818    0.6941 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5615    1.2758    0.4750 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.7778    3.6021   -0.9289 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3570    4.3064   -0.1738 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1151    4.4852   -2.6506 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3956    4.1728   -3.0089 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.6420    3.4542   -4.0253 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.4284    1.6272   -3.7669 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5282   -0.2457   -1.3956 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7542   -0.7175   -4.3097 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6120   -0.5934   -2.9618 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.7836   -1.9133   -3.0029 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1290   -0.5194   -3.9962 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3117   -1.4059   -2.4799 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.8502    0.2681   -2.5934 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6480    2.1240   -1.5158 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9376    4.2122    0.2070 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.1806    4.1771   -0.1052 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3516    4.4217   -1.4115 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.0172   -6.9066   -1.0102 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.5202   -5.6842   -0.9736 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.9173   -7.0042   -2.3995 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.1496   -9.1146   -3.3065 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.3049  -10.9796   -2.0792 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.4524  -11.1143   -1.4544 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5688  -12.2361   -2.1812 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9590  -10.8935   -3.1463 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5693  -10.2486    0.2808 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2277   -9.6735    0.3028 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.8808  -11.3938    0.1949 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.4333   -9.2774   -2.4615 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.3469  -10.2408   -3.3633 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1150  -10.1293   -0.4547 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.7173  -11.9063   -1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1504   -8.2528    0.2633 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5201   -8.2530   -0.4226 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.2631   -6.5751   -1.8610 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.1655   -4.7037   -2.3939 H   0  0  0  0  0  0  0  0  0  0  0  0
   17.7363   -4.1392   -0.8081 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.0727   -3.7460   -1.3550 H   0  0  0  0  0  0  0  0  0  0  0  0
   16.5174   -4.9657    1.2400 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.8639   -6.5961    1.0924 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.1974   -6.2043    2.9934 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.5038   -6.4267    3.4326 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3886   -4.9743    3.9766 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.5628   -3.7904    3.1479 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.9325   -3.3755    0.2137 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0085   -2.3634    1.2082 H   0  0  0  0  0  0  0  0  0  0  0  0
   11.2886   -2.5315    1.6052 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.8733   -5.9731    1.7089 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3782   -7.7051    2.7165 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7041   -8.3269    1.1489 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.0104   -7.5951    0.5346 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.4904   -8.1207    0.0601 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6019   -5.8827   -0.0252 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.6190   -4.3691   -0.9188 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.5990   -4.3634    0.8596 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1 93  1  0  0  0  0
  1 94  1  0  0  0  0
  1 95  1  0  0  0  0
  2  3  1  0  0  0  0
  2 92  2  0  0  0  0
  3  4  2  0  0  0  0
  3 96  1  0  0  0  0
  4  5  1  0  0  0  0
  4 97  1  0  0  0  0
  5  6  1  0  0  0  0
  5 44  2  0  0  0  0
  6  7  2  0  0  0  0
  6  8  1  0  0  0  0
  8  9  1  0  0  0  0
  8 98  1  0  0  0  0
  9 10  1  0  0  0  0
  9 42  1  0  0  0  0
  9 99  1  1  0  0  0
 10 11  2  0  0  0  0
 10 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12100  1  0  0  0  0
 13 17  1  0  0  0  0
 13 14  1  0  0  0  0
 13101  1  1  0  0  0
 14 15  1  0  0  0  0
 14 16  1  0  0  0  0
 14102  1  0  0  0  0
 15103  1  0  0  0  0
 15104  1  0  0  0  0
 15105  1  0  0  0  0
 16106  1  0  0  0  0
 16107  1  0  0  0  0
 16108  1  0  0  0  0
 17 18  2  0  0  0  0
 17 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 25  1  0  0  0  0
 20 21  1  0  0  0  0
 20 22  1  0  0  0  0
 20109  1  1  0  0  0
 21110  1  0  0  0  0
 21111  1  0  0  0  0
 21112  1  0  0  0  0
 22 23  1  0  0  0  0
 22113  1  0  0  0  0
 22114  1  0  0  0  0
 23 24  1  0  0  0  0
 23 25  1  0  0  0  0
 23115  1  6  0  0  0
 24116  1  0  0  0  0
 25 26  1  0  0  0  0
 25117  1  6  0  0  0
 26 27  2  0  0  0  0
 26 28  1  0  0  0  0
 28 29  1  0  0  0  0
 28 30  1  0  0  0  0
 29118  1  0  0  0  0
 29119  1  0  0  0  0
 29120  1  0  0  0  0
 30 31  1  0  0  0  0
 30121  1  0  0  0  0
 30122  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
 33 35  1  0  0  0  0
 34123  1  0  0  0  0
 34124  1  0  0  0  0
 34125  1  0  0  0  0
 35 36  1  0  0  0  0
 35 39  1  0  0  0  0
 35126  1  6  0  0  0
 36 37  1  0  0  0  0
 36 38  1  0  0  0  0
 36127  1  0  0  0  0
 37128  1  0  0  0  0
 37129  1  0  0  0  0
 37130  1  0  0  0  0
 38131  1  0  0  0  0
 38132  1  0  0  0  0
 38133  1  0  0  0  0
 39 40  2  0  0  0  0
 39 41  1  0  0  0  0
 41 42  1  0  0  0  0
 42 43  1  0  0  0  0
 42134  1  6  0  0  0
 43135  1  0  0  0  0
 43136  1  0  0  0  0
 43137  1  0  0  0  0
 44 45  1  0  0  0  0
 44 92  1  0  0  0  0
 45 46  2  0  0  0  0
 46 47  1  0  0  0  0
 46 90  1  0  0  0  0
 47 48  1  0  0  0  0
 47 84  2  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
 50138  1  0  0  0  0
 51 52  1  0  0  0  0
 51 81  1  0  0  0  0
 51139  1  6  0  0  0
 52 53  2  0  0  0  0
 52 54  1  0  0  0  0
 54 55  1  0  0  0  0
 54140  1  0  0  0  0
 55 59  1  0  0  0  0
 55 56  1  0  0  0  0
 55141  1  6  0  0  0
 56 57  1  0  0  0  0
 56 58  1  0  0  0  0
 56142  1  0  0  0  0
 57143  1  0  0  0  0
 57144  1  0  0  0  0
 57145  1  0  0  0  0
 58146  1  0  0  0  0
 58147  1  0  0  0  0
 58148  1  0  0  0  0
 59 60  2  0  0  0  0
 59 61  1  0  0  0  0
 61 62  1  0  0  0  0
 61 66  1  0  0  0  0
 62 63  1  0  0  0  0
 62149  1  0  0  0  0
 62150  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  1  0  0  0  0
 63151  1  0  0  0  0
 64152  1  0  0  0  0
 65 66  1  0  0  0  0
 65153  1  0  0  0  0
 65154  1  0  0  0  0
 66 67  1  0  0  0  0
 66155  1  1  0  0  0
 67 68  2  0  0  0  0
 67 69  1  0  0  0  0
 69 70  1  0  0  0  0
 69 71  1  0  0  0  0
 70156  1  0  0  0  0
 70157  1  0  0  0  0
 70158  1  0  0  0  0
 71 72  1  0  0  0  0
 71159  1  0  0  0  0
 71160  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 76  1  0  0  0  0
 75161  1  0  0  0  0
 75162  1  0  0  0  0
 75163  1  0  0  0  0
 76 77  1  0  0  0  0
 76 78  1  0  0  0  0
 76164  1  1  0  0  0
 77165  1  0  0  0  0
 77166  1  0  0  0  0
 77167  1  0  0  0  0
 78 79  2  0  0  0  0
 78 80  1  0  0  0  0
 80 81  1  0  0  0  0
 81 82  1  0  0  0  0
 81168  1  1  0  0  0
 82 83  1  0  0  0  0
 82169  1  0  0  0  0
 82170  1  0  0  0  0
 84 85  1  0  0  0  0
 84 86  1  0  0  0  0
 85171  1  0  0  0  0
 85172  1  0  0  0  0
 86 87  2  0  0  0  0
 86 88  1  0  0  0  0
 88 89  1  0  0  0  0
 88 90  2  0  0  0  0
 89173  1  0  0  0  0
 89174  1  0  0  0  0
 89175  1  0  0  0  0
 90 91  1  0  0  0  0
 91 92  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2024-06-03, 1267👍, 0💬