Molecule FYI-1004130

Molecule Summary:

ID: FYI-1004130
Names:
InChIKey: XOYXESIZZFUVRD-UHFFFAOYSA-M
SMILES: COC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(CO)C(OC4OC(CO)C(OC3OC(C(=O)[O-])C(OC2OC(CO)C(OC1OC(CO)C(OC)C(OC(C)=O)C1O)C(OC(C)=O)C2O)C(OC(C)=O)C3O)C(OC(C)=O)C4O)C(O)C5NC(C)=O)C(OC(C)=O)C6O)C(OC(C)=O)C7O)C(OC(C)=O)C8O

Received at FYIcenter.com on: 2023-08-16

Molecule ID: FYI-1004130 Edit

Molecule Structure InChIKey: XOYXESIZZFUVRD-UHFFFAOYSA-M

Molecule Structure SMILES String: COC8OC(CO)C(OC7OC(CO)C(OC6OC(CO)C(OC5OC(CO)C(OC4OC(CO)C(OC3OC(C(=O)[O-])C(OC2OC(CO)C(OC1OC(CO)C(OC)C(OC(C)=O)C1O)C(OC(C)=O)C2O)C(OC(C)=O)C3O)C(OC(C)=O)C4O)C(O)C5NC(C)=O)C(OC(C)=O)C6O)C(OC(C)=O)C7O)C(OC(C)=O)C8O

Download SDF Download SVG Structure in 2D SDF:

Image not available

FYI-1004130
FYIcenter.com

116123  0  0  0  0  0  0  0  0999 V2000
   18.1866   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   13.3000    0.0000 N   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   19.3990   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   19.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   18.1866   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   16.8000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   24.2487   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   25.4612   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   23.0363   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   32.7358   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   31.5234   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   30.3110   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   33.9482   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   35.1607   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   29.0984   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   26.6736   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   27.8860   19.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   21.8239   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   20.6115   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   16.9742   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   15.7616   19.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   17.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   16.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   15.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   14.7000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   15.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   14.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   13.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   12.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.3368   11.2000    0.0000 O   0  5  0  0  0  0  0  0  0  0  0  0
    9.6995    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    6.3000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    7.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    8.4000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    9.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    9.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    8.4000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    4.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.6373    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497    0.7000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621    0.0000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    2.1000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.2124    4.2000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.0000    2.1000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    2.4249    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    4.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    4.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871    2.8000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995    6.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   10.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   11.2000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    6.0621   12.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    4.8497   10.5000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
    7.2747   13.3000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   17.5000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.6995   18.9000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   10.9119   19.6000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4871   19.6000    0.0000 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.1244   18.9000    0.0000 O   0  0  0  0  0  0  0  0  0  0  0  0
   14.5492   14.7000    0.0000 O   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  2  1  0  0  0  0
  5  4  1  0  0  0  0
  6  5  1  0  0  0  0
  7  6  1  0  0  0  0
  8  7  1  0  0  0  0
  9  8  1  0  0  0  0
 10  9  1  0  0  0  0
 10  5  1  0  0  0  0
 11 10  1  0  0  0  0
 12 11  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 15  1  0  0  0  0
 17 16  1  0  0  0  0
 17 12  1  0  0  0  0
 18 17  1  0  0  0  0
 19 18  1  0  0  0  0
 20 19  2  0  0  0  0
 21 19  1  0  0  0  0
 22 16  1  0  0  0  0
 23 15  1  0  0  0  0
 24 23  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
 29 24  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 28  1  0  0  0  0
 35 27  1  0  0  0  0
 36 35  1  0  0  0  0
 37 36  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 40  1  0  0  0  0
 41 36  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 43  1  0  0  0  0
 46 40  1  0  0  0  0
 47 39  1  0  0  0  0
 48 47  1  0  0  0  0
 49 37  1  0  0  0  0
 50 49  1  0  0  0  0
 51 25  1  0  0  0  0
 52 51  1  0  0  0  0
 53 13  1  0  0  0  0
 54 53  1  0  0  0  0
 55  8  1  0  0  0  0
 56 55  1  0  0  0  0
 57  7  1  0  0  0  0
 58 57  1  0  0  0  0
 59 58  1  0  0  0  0
 60 59  1  0  0  0  0
 61 60  1  0  0  0  0
 62 61  1  0  0  0  0
 63 62  1  0  0  0  0
 63 58  1  0  0  0  0
 64 62  1  0  0  0  0
 65 64  1  0  0  0  0
 66 61  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 71  1  0  0  0  0
 72 67  1  0  0  0  0
 73 71  1  0  0  0  0
 74 73  2  0  0  0  0
 75 73  1  0  0  0  0
 76 70  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
 82 77  1  0  0  0  0
 83 81  1  0  0  0  0
 84 83  1  0  0  0  0
 85 80  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 88  1  0  0  0  0
 90 89  1  0  0  0  0
 91 90  1  0  0  0  0
 91 86  1  0  0  0  0
 92 90  1  0  0  0  0
 93 92  1  0  0  0  0
 94 89  1  0  0  0  0
 95 94  1  0  0  0  0
 96 88  1  0  0  0  0
 97 96  1  0  0  0  0
 98 97  2  0  0  0  0
 99 97  1  0  0  0  0
100 87  1  0  0  0  0
101 79  1  0  0  0  0
102101  1  0  0  0  0
103102  2  0  0  0  0
104102  1  0  0  0  0
105 78  1  0  0  0  0
106 69  1  0  0  0  0
107106  1  0  0  0  0
108107  2  0  0  0  0
109107  1  0  0  0  0
110 68  1  0  0  0  0
111 60  1  0  0  0  0
112111  1  0  0  0  0
113112  2  0  0  0  0
114112  1  0  0  0  0
115 59  1  0  0  0  0
116  6  1  0  0  0  0
M  END
$$$$

Download SDF Structure in 3D SDF:

FYI-1004130-3D
FYIcenter.com

216223  0  0  1  0  0  0  0  0999 V2000
  -11.4217  -11.6952   -5.7098 C   0  0  0  0  0  0  0  0  0  0  0  0
  -10.8070  -10.9137   -4.7130 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.4852   -9.8062   -4.0989 C   0  0  3  0  0  0  0  0  0  0  0  0
  -12.5510  -10.1422   -3.1493 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.8440   -9.4589   -3.2259 C   0  0  3  0  0  0  0  0  0  0  0  0
  -14.7489   -9.7332   -2.0233 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3731  -11.0189   -2.1342 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.6744   -7.9039   -3.3820 C   0  0  3  0  0  0  0  0  0  0  0  0
  -12.9997   -7.5178   -2.0956 O   0  0  0  0  0  0  0  0  0  0  0  0
  -12.8449   -6.1591   -1.5876 C   0  0  3  0  0  0  0  0  0  0  0  0
  -11.5222   -5.6563   -1.8530 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.4478   -6.3678   -1.1856 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.2005   -6.0516   -1.9534 C   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0562   -6.6344   -1.3533 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.3139   -6.2405    0.3707 C   0  0  3  0  0  0  0  0  0  0  0  0
   -9.6032   -5.1360    1.0426 O   0  0  0  0  0  0  0  0  0  0  0  0
   -8.2741   -4.4630    0.7590 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.8047   -4.0750   -0.5640 O   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3646   -4.1150   -0.9902 C   0  0  3  0  0  0  0  0  0  0  0  0
   -6.1204   -3.2392   -2.2770 C   0  0  0  0  0  0  0  0  0  0  0  0
   -5.4847   -4.0053   -3.3333 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.1779   -4.3614    0.0394 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.3810   -3.3116    0.6958 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.6171   -2.2598   -0.0760 C   0  0  3  0  0  0  0  0  0  0  0  0
   -2.3571   -2.6164   -0.7562 O   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0806   -2.3595   -0.1116 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0438   -2.7660   -1.0737 C   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0056   -4.1700   -1.3251 O   0  0  0  0  0  0  0  0  0  0  0  0
   -0.7662   -0.9019    0.4428 C   0  0  3  0  0  0  0  0  0  0  0  0
   -0.3808    0.0677   -0.5937 O   0  0  0  0  0  0  0  0  0  0  0  0
    0.5483    1.2546   -0.6742 C   0  0  3  0  0  0  0  0  0  0  0  0
    1.4860    1.3445   -1.7948 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.9278    1.3081   -1.5336 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.6896    0.8808   -2.7999 C   0  0  0  0  0  0  0  0  0  0  0  0
    5.0906    0.8639   -2.5770 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5824    2.4075   -0.4924 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.7997    3.8921   -0.7297 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1457    4.5050   -1.2502 C   0  0  3  0  0  0  0  0  0  0  0  0
    6.4046    4.3407   -0.5334 O   0  0  0  0  0  0  0  0  0  0  0  0
    6.8225    5.2486    0.5278 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.3096    5.1233    0.6546 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.7208    4.6878    1.7556 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.9707    5.5944   -0.3065 O   0  5  0  0  0  0  0  0  0  0  0  0
    6.5560    6.8148    0.5400 C   0  0  3  0  0  0  0  0  0  0  0  0
    7.6078    7.7505   -0.0280 O   0  0  0  0  0  0  0  0  0  0  0  0
    8.4095    8.7475    0.8277 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.7710   10.0076    0.1078 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.0535   10.1212   -0.5766 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.2620   11.4997   -1.2818 C   0  0  0  0  0  0  0  0  0  0  0  0
   11.6022   11.9984   -1.4270 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.2703    9.7194    0.2842 C   0  0  3  0  0  0  0  0  0  0  0  0
   11.8520   10.7437    1.1995 O   0  0  0  0  0  0  0  0  0  0  0  0
   11.1482   11.6919    2.1312 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.9771   12.4329    1.7650 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.9702   13.8812    1.6801 C   0  0  3  0  0  0  0  0  0  0  0  0
    8.5177   14.4298    1.6452 C   0  0  0  0  0  0  0  0  0  0  0  0
    8.4250   15.8282    1.9357 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.8311   14.6596    2.6910 C   0  0  3  0  0  0  0  0  0  0  0  0
   10.3427   14.8340    4.0408 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7589   13.7601    4.7425 C   0  0  0  0  0  0  0  0  0  0  0  0
   12.2565   14.1209    2.5909 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.1340   14.9737    3.4625 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.6419   16.1054    2.8440 C   0  0  0  0  0  0  0  0  0  0  0  0
   14.4595   17.0587    3.7064 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.3359   16.3736    1.6698 O   0  0  0  0  0  0  0  0  0  0  0  0
   12.2855   12.5889    2.8656 C   0  0  3  0  0  0  0  0  0  0  0  0
   13.5522   12.0410    2.4801 O   0  0  0  0  0  0  0  0  0  0  0  0
   10.9916    8.1883    0.6675 C   0  0  3  0  0  0  0  0  0  0  0  0
   12.1177    7.3426    1.1445 O   0  0  0  0  0  0  0  0  0  0  0  0
   13.2538    7.2721    0.3416 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7762    5.8497    0.0534 C   0  0  0  0  0  0  0  0  0  0  0  0
   13.7655    8.2909   -0.0982 O   0  0  0  0  0  0  0  0  0  0  0  0
    9.7210    8.2142    1.5697 C   0  0  3  0  0  0  0  0  0  0  0  0
    9.5005    7.0755    2.3661 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.1093    6.7971   -0.1111 C   0  0  3  0  0  0  0  0  0  0  0  0
    4.3570    7.9938    0.2177 O   0  0  0  0  0  0  0  0  0  0  0  0
    3.5861    7.8333    1.3516 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.0793    9.1154    1.9193 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.3775    6.7791    1.9456 O   0  0  0  0  0  0  0  0  0  0  0  0
    5.0430    6.0909   -1.5261 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.8996    6.3648   -2.3427 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.6102    1.9741    0.7734 C   0  0  3  0  0  0  0  0  0  0  0  0
    3.1483    2.2911    2.0722 O   0  0  0  0  0  0  0  0  0  0  0  0
    2.5954    1.4556    3.0213 C   0  0  0  0  0  0  0  0  0  0  0  0
    3.2726    1.5563    4.3541 C   0  0  0  0  0  0  0  0  0  0  0  0
    1.6461    0.7003    2.8125 O   0  0  0  0  0  0  0  0  0  0  0  0
    1.0186    2.1338    0.5307 C   0  0  3  0  0  0  0  0  0  0  0  0
    0.0802    1.9926    1.6176 O   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0386   -0.6464    1.3294 C   0  0  3  0  0  0  0  0  0  0  0  0
   -1.8508    0.5473    2.0934 O   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4387   -0.8483    0.6485 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.5787   -0.6002    1.5313 N   0  0  0  0  0  0  0  0  0  0  0  0
   -5.0048    0.6895    1.8316 C   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3486    0.7613    2.4875 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.3313    1.6501    1.5408 O   0  0  0  0  0  0  0  0  0  0  0  0
   -5.8546   -5.3022    1.1176 C   0  0  3  0  0  0  0  0  0  0  0  0
   -4.8734   -6.0027    1.8993 O   0  0  0  0  0  0  0  0  0  0  0  0
   -4.0413   -5.4339    2.7980 C   0  0  0  0  0  0  0  0  0  0  0  0
   -2.8622   -6.3540    3.0132 C   0  0  0  0  0  0  0  0  0  0  0  0
   -4.1322   -4.3085    3.2663 O   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0968   -4.6468    1.8064 C   0  0  3  0  0  0  0  0  0  0  0  0
   -7.5424   -5.3011    2.9858 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.8340   -6.5167    0.8572 C   0  0  3  0  0  0  0  0  0  0  0  0
  -12.0521   -6.5804    2.3139 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9320   -5.5519    3.1841 C   0  0  0  0  0  0  0  0  0  0  0  0
  -12.2738   -6.0048    4.5949 C   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5573   -4.4128    2.9065 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0119   -5.9013   -0.0075 C   0  0  3  0  0  0  0  0  0  0  0  0
  -14.2809   -6.3710    0.4558 O   0  0  0  0  0  0  0  0  0  0  0  0
  -13.0612   -7.9705   -4.8517 C   0  0  3  0  0  0  0  0  0  0  0  0
  -13.5796   -7.0800   -5.9103 O   0  0  0  0  0  0  0  0  0  0  0  0
  -14.7976   -7.4999   -6.4400 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.2098   -6.9582   -7.7768 C   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5290   -8.2741   -5.8217 O   0  0  0  0  0  0  0  0  0  0  0  0
  -11.6069   -8.4318   -4.8940 C   0  0  3  0  0  0  0  0  0  0  0  0
  -11.1924   -8.5045   -6.2455 O   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6996  -11.8069   -6.5320 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.3481  -11.2822   -6.1078 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5826  -12.7082   -5.3242 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6963   -9.5260   -3.3906 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.3604   -9.9179   -4.0801 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.5554   -8.9891   -2.0052 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.1870   -9.6891   -1.0886 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.0378  -11.0673   -1.4230 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.6456   -7.3947   -3.4301 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.5722   -5.5199   -2.1055 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.6506   -7.4349   -1.3544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.1145   -4.9682   -2.0564 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.2900   -6.4169   -2.9817 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.0229   -7.5728   -1.6006 H   0  0  0  0  0  0  0  0  0  0  0  0
   -9.7793   -7.1321    0.7242 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.6451   -3.4772    1.0762 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.3712   -5.1006   -1.4678 H   0  0  0  0  0  0  0  0  0  0  0  0
   -5.5610   -2.3173   -2.1419 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0793   -2.9156   -2.6956 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.5863   -3.6437   -3.4839 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.4229   -4.9635   -0.4874 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.2864   -2.0344   -0.8890 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.0759   -3.0623    0.7327 H   0  0  0  0  0  0  0  0  0  0  0  0
    1.0154   -2.5348   -0.6217 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.0387   -2.2494   -2.0341 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9229   -4.4952   -1.3335 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.0991   -0.9795    1.1111 H   0  0  0  0  0  0  0  0  0  0  0  0
   -0.2366    1.9143   -1.0729 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.0250    0.3614   -0.9775 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4346    1.4713   -3.6797 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.4019   -0.1591   -3.0275 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.5432    0.6351   -3.4127 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5866    2.0488   -0.2322 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.2833    4.0091   -2.2214 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.3286    4.8409    1.4164 H   0  0  0  0  0  0  0  0  0  0  0  0
    6.4431    7.1404    1.5819 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.7110    9.0694    1.6113 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9814    9.3965   -1.3981 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.6898   12.2838   -0.7867 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.8793   11.4277   -2.3030 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2210   11.2809   -1.6450 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.0916    9.6355   -0.4319 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.7865   11.0132    2.9075 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.3984   14.1189    0.6993 H   0  0  0  0  0  0  0  0  0  0  0  0
    7.8616   13.8956    2.3368 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.0930   14.2757    0.6439 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.6569   15.9481    2.8742 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.8773   15.7011    2.3456 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.3151   14.1662    5.6555 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.5092   13.0272    5.0395 H   0  0  0  0  0  0  0  0  0  0  0  0
    8.9630   13.2800    4.1689 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.6257   14.2440    1.5694 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3605   16.8677    4.7774 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.1201   18.0923    3.5445 H   0  0  0  0  0  0  0  0  0  0  0  0
   15.5182   17.0234    3.4298 H   0  0  0  0  0  0  0  0  0  0  0  0
   12.2094   12.4309    3.9468 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.3176   11.3591    1.8021 H   0  0  0  0  0  0  0  0  0  0  0  0
   10.6787    7.6639   -0.2496 H   0  0  0  0  0  0  0  0  0  0  0  0
   13.0005    5.1507   -0.2132 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.3768    5.4411    0.8812 H   0  0  0  0  0  0  0  0  0  0  0  0
   14.4447    5.9042   -0.8130 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.9733    8.9780    2.3174 H   0  0  0  0  0  0  0  0  0  0  0  0
    9.2734    6.2708    1.8191 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.5855    6.0193    0.4471 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.3971    9.6188    1.2362 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.9208    9.7461    2.2121 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.5241    8.8707    2.8353 H   0  0  0  0  0  0  0  0  0  0  0  0
    5.9171    6.4257   -2.1043 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.1005    5.8815   -3.1781 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.7255    0.8824    0.7824 H   0  0  0  0  0  0  0  0  0  0  0  0
    3.3751    2.6009    4.6480 H   0  0  0  0  0  0  0  0  0  0  0  0
    4.2446    1.0532    4.3551 H   0  0  0  0  0  0  0  0  0  0  0  0
    2.6356    1.0605    5.0961 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.9108    3.1840    0.2224 H   0  0  0  0  0  0  0  0  0  0  0  0
    0.1046    1.0979    2.0097 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.0350   -1.4326    2.1015 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.7350    1.3359    1.5147 H   0  0  0  0  0  0  0  0  0  0  0  0
   -3.4806   -0.0931   -0.1500 H   0  0  0  0  0  0  0  0  0  0  0  0
   -4.9282   -1.3180    2.1039 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.6964   -0.2038    2.8664 H   0  0  0  0  0  0  0  0  0  0  0  0
   -7.0949    1.1517    1.7849 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2462    1.4432    3.3287 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.2958   -6.1411    0.5673 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.9469   -7.2486    2.3840 H   0  0  0  0  0  0  0  0  0  0  0  0
   -2.7936   -6.6727    4.0544 H   0  0  0  0  0  0  0  0  0  0  0  0
   -1.9460   -5.8383    2.7077 H   0  0  0  0  0  0  0  0  0  0  0  0
   -6.7702   -3.6368    2.1076 H   0  0  0  0  0  0  0  0  0  0  0  0
   -8.5149   -5.1613    3.0435 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.9878   -7.5784    0.6279 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.1488   -7.0912    4.7064 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.3062   -5.7509    4.8741 H   0  0  0  0  0  0  0  0  0  0  0  0
  -11.5894   -5.5393    5.3102 H   0  0  0  0  0  0  0  0  0  0  0  0
  -12.9996   -4.8097    0.1611 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.8989   -6.3349   -0.2898 H   0  0  0  0  0  0  0  0  0  0  0  0
  -13.4441   -8.8887   -5.3191 H   0  0  0  0  0  0  0  0  0  0  0  0
  -14.5287   -6.2160   -8.2015 H   0  0  0  0  0  0  0  0  0  0  0  0
  -16.2076   -6.4927   -7.6794 H   0  0  0  0  0  0  0  0  0  0  0  0
  -15.3190   -7.7816   -8.5060 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.9848   -7.6696   -4.4109 H   0  0  0  0  0  0  0  0  0  0  0  0
  -10.7341   -9.3459   -6.4070 H   0  0  0  0  0  0  0  0  0  0  0  0
  1  2  1  0  0  0  0
  1117  1  0  0  0  0
  1118  1  0  0  0  0
  1119  1  0  0  0  0
  2  3  1  0  0  0  0
  3  4  1  0  0  0  0
  3115  1  0  0  0  0
  3120  1  0  0  0  0
  4  5  1  0  0  0  0
  5  6  1  0  0  0  0
  5  8  1  0  0  0  0
  5121  1  0  0  0  0
  6  7  1  0  0  0  0
  6122  1  0  0  0  0
  6123  1  0  0  0  0
  7124  1  0  0  0  0
  8  9  1  0  0  0  0
  8110  1  0  0  0  0
  8125  1  0  0  0  0
  9 10  1  0  0  0  0
 10 11  1  0  0  0  0
 10108  1  0  0  0  0
 10126  1  0  0  0  0
 11 12  1  0  0  0  0
 12 13  1  0  0  0  0
 12 15  1  0  0  0  0
 12127  1  0  0  0  0
 13 14  1  0  0  0  0
 13128  1  0  0  0  0
 13129  1  0  0  0  0
 14130  1  0  0  0  0
 15 16  1  0  0  0  0
 15103  1  0  0  0  0
 15131  1  0  0  0  0
 16 17  1  0  0  0  0
 17 18  1  0  0  0  0
 17101  1  0  0  0  0
 17132  1  0  0  0  0
 18 19  1  0  0  0  0
 19 20  1  0  0  0  0
 19 22  1  0  0  0  0
 19133  1  0  0  0  0
 20 21  1  0  0  0  0
 20134  1  0  0  0  0
 20135  1  0  0  0  0
 21136  1  0  0  0  0
 22 23  1  0  0  0  0
 22 96  1  0  0  0  0
 22137  1  0  0  0  0
 23 24  1  0  0  0  0
 24 25  1  0  0  0  0
 24 91  1  0  0  0  0
 24138  1  0  0  0  0
 25 26  1  0  0  0  0
 26 27  1  0  0  0  0
 26 29  1  0  0  0  0
 26139  1  0  0  0  0
 27 28  1  0  0  0  0
 27140  1  0  0  0  0
 27141  1  0  0  0  0
 28142  1  0  0  0  0
 29 30  1  0  0  0  0
 29 89  1  0  0  0  0
 29143  1  0  0  0  0
 30 31  1  0  0  0  0
 31 32  1  0  0  0  0
 31 87  1  0  0  0  0
 31144  1  0  0  0  0
 32 33  1  0  0  0  0
 33 34  1  0  0  0  0
 33 36  1  0  0  0  0
 33145  1  0  0  0  0
 34 35  1  0  0  0  0
 34146  1  0  0  0  0
 34147  1  0  0  0  0
 35148  1  0  0  0  0
 36 37  1  0  0  0  0
 36 82  1  0  0  0  0
 36149  1  0  0  0  0
 37 38  1  0  0  0  0
 38 39  1  0  0  0  0
 38 80  1  0  0  0  0
 38150  1  0  0  0  0
 39 40  1  0  0  0  0
 40 41  1  0  0  0  0
 40 44  1  0  0  0  0
 40151  1  0  0  0  0
 41 42  2  0  0  0  0
 41 43  1  0  0  0  0
 44 45  1  0  0  0  0
 44 75  1  0  0  0  0
 44152  1  0  0  0  0
 45 46  1  0  0  0  0
 46 47  1  0  0  0  0
 46 73  1  0  0  0  0
 46153  1  0  0  0  0
 47 48  1  0  0  0  0
 48 49  1  0  0  0  0
 48 51  1  0  0  0  0
 48154  1  0  0  0  0
 49 50  1  0  0  0  0
 49155  1  0  0  0  0
 49156  1  0  0  0  0
 50157  1  0  0  0  0
 51 52  1  0  0  0  0
 51 68  1  0  0  0  0
 51158  1  0  0  0  0
 52 53  1  0  0  0  0
 53 54  1  0  0  0  0
 53 66  1  0  0  0  0
 53159  1  0  0  0  0
 54 55  1  0  0  0  0
 55 56  1  0  0  0  0
 55 58  1  0  0  0  0
 55160  1  0  0  0  0
 56 57  1  0  0  0  0
 56161  1  0  0  0  0
 56162  1  0  0  0  0
 57163  1  0  0  0  0
 58 59  1  0  0  0  0
 58 61  1  0  0  0  0
 58164  1  0  0  0  0
 59 60  1  0  0  0  0
 60165  1  0  0  0  0
 60166  1  0  0  0  0
 60167  1  0  0  0  0
 61 62  1  0  0  0  0
 61 66  1  0  0  0  0
 61168  1  0  0  0  0
 62 63  1  0  0  0  0
 63 64  1  0  0  0  0
 63 65  2  0  0  0  0
 64169  1  0  0  0  0
 64170  1  0  0  0  0
 64171  1  0  0  0  0
 66 67  1  0  0  0  0
 66172  1  0  0  0  0
 67173  1  0  0  0  0
 68 69  1  0  0  0  0
 68 73  1  0  0  0  0
 68174  1  0  0  0  0
 69 70  1  0  0  0  0
 70 71  1  0  0  0  0
 70 72  2  0  0  0  0
 71175  1  0  0  0  0
 71176  1  0  0  0  0
 71177  1  0  0  0  0
 73 74  1  0  0  0  0
 73178  1  0  0  0  0
 74179  1  0  0  0  0
 75 76  1  0  0  0  0
 75 80  1  0  0  0  0
 75180  1  0  0  0  0
 76 77  1  0  0  0  0
 77 78  1  0  0  0  0
 77 79  2  0  0  0  0
 78181  1  0  0  0  0
 78182  1  0  0  0  0
 78183  1  0  0  0  0
 80 81  1  0  0  0  0
 80184  1  0  0  0  0
 81185  1  0  0  0  0
 82 83  1  0  0  0  0
 82 87  1  0  0  0  0
 82186  1  0  0  0  0
 83 84  1  0  0  0  0
 84 85  1  0  0  0  0
 84 86  2  0  0  0  0
 85187  1  0  0  0  0
 85188  1  0  0  0  0
 85189  1  0  0  0  0
 87 88  1  0  0  0  0
 87190  1  0  0  0  0
 88191  1  0  0  0  0
 89 90  1  0  0  0  0
 89 91  1  0  0  0  0
 89192  1  0  0  0  0
 90193  1  0  0  0  0
 91 92  1  0  0  0  0
 91194  1  0  0  0  0
 92 93  1  0  0  0  0
 92195  1  0  0  0  0
 93 94  1  0  0  0  0
 93 95  2  0  0  0  0
 94196  1  0  0  0  0
 94197  1  0  0  0  0
 94198  1  0  0  0  0
 96 97  1  0  0  0  0
 96101  1  0  0  0  0
 96199  1  0  0  0  0
 97 98  1  0  0  0  0
 98 99  1  0  0  0  0
 98100  2  0  0  0  0
 99200  1  0  0  0  0
 99201  1  0  0  0  0
 99202  1  0  0  0  0
101102  1  0  0  0  0
101203  1  0  0  0  0
102204  1  0  0  0  0
103104  1  0  0  0  0
103108  1  0  0  0  0
103205  1  0  0  0  0
104105  1  0  0  0  0
105106  1  0  0  0  0
105107  2  0  0  0  0
106206  1  0  0  0  0
106207  1  0  0  0  0
106208  1  0  0  0  0
108109  1  0  0  0  0
108209  1  0  0  0  0
109210  1  0  0  0  0
110111  1  0  0  0  0
110115  1  0  0  0  0
110211  1  0  0  0  0
111112  1  0  0  0  0
112113  1  0  0  0  0
112114  2  0  0  0  0
113212  1  0  0  0  0
113213  1  0  0  0  0
113214  1  0  0  0  0
115116  1  0  0  0  0
115215  1  0  0  0  0
116216  1  0  0  0  0
M  END
$$$$

✍: FYIcenter.com

2023-08-25, 1032👍, 0💬