A1E2V
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | sing | 1.51Å | 1.51Å | |
| C01 | S01 | sing | 1.80Å | 1.85Å | |
| C02 | C03 | doub | 1.40Å | 1.40Å | Aromatic |
| C02 | C07 | sing | 1.39Å | 1.38Å | Aromatic |
| C03 | C04 | sing | 1.39Å | 1.38Å | Aromatic |
| C04 | C05 | doub | 1.39Å | 1.38Å | Aromatic |
| C04 | O03 | sing | 1.38Å | 1.38Å | |
| C05 | C06 | sing | 1.39Å | 1.37Å | Aromatic |
| C06 | C07 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | O04 | sing | 1.38Å | 1.36Å | |
| C08 | O03 | sing | 1.43Å | 1.42Å | |
| C09 | O04 | sing | 1.43Å | 1.42Å | |
| C1 | C2 | sing | 1.51Å | 1.51Å | |
| C1 | S1 | sing | 1.80Å | 1.85Å | |
| C2 | C3 | doub | 1.39Å | 1.40Å | Aromatic |
| C2 | C7 | sing | 1.39Å | 1.38Å | Aromatic |
| C3 | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C5 | doub | 1.39Å | 1.37Å | Aromatic |
| C4 | O3 | sing | 1.38Å | 1.38Å | |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | O4 | sing | 1.38Å | 1.36Å | |
| C8 | O3 | sing | 1.43Å | 1.41Å | |
| C9 | O4 | sing | 1.43Å | 1.41Å | |
| N01 | O01 | sing | 1.40Å | 1.15Å | |
| N01 | FE01 | sing | 1.68Å | 1.67Å | |
| N02 | O02 | sing | 1.40Å | 1.15Å | |
| N02 | FE01 | sing | 1.69Å | 1.67Å | |
| N1 | O1 | sing | 1.40Å | 1.15Å | |
| N1 | FE1 | sing | 1.68Å | 1.67Å | |
| N2 | O2 | sing | 1.40Å | 1.15Å | |
| N2 | FE1 | sing | 1.68Å | 1.67Å | |
| S01 | FE01 | sing | 2.37Å | 2.26Å | |
| S01 | FE1 | sing | 2.34Å | 2.26Å | |
| S1 | FE01 | sing | 2.32Å | 2.26Å | |
| S1 | FE1 | sing | 2.32Å | 2.27Å | |
| C01 | H1 | sing | 0.97Å | 1.10Å | |
| C01 | H2 | sing | 0.97Å | 1.10Å | |
| C03 | H3 | sing | 0.94Å | 1.08Å | |
| C05 | H4 | sing | 0.94Å | 1.08Å | |
| C07 | H5 | sing | 0.94Å | 1.08Å | |
| C08 | H6 | sing | 0.97Å | 1.10Å | |
| C08 | H7 | sing | 0.97Å | 1.10Å | |
| C08 | H8 | sing | 0.97Å | 1.10Å | |
| C09 | H9 | sing | 0.97Å | 1.10Å | |
| C09 | H10 | sing | 0.97Å | 1.10Å | |
| C09 | H11 | sing | 0.97Å | 1.10Å | |
| C1 | H12 | sing | 0.97Å | 1.10Å | |
| C1 | H13 | sing | 0.97Å | 1.10Å | |
| C3 | H14 | sing | 0.94Å | 1.08Å | |
| C5 | H15 | sing | 0.95Å | 1.08Å | |
| C7 | H16 | sing | 0.94Å | 1.08Å | |
| C8 | H17 | sing | 0.97Å | 1.10Å | |
| C8 | H18 | sing | 0.97Å | 1.10Å | |
| C8 | H19 | sing | 0.97Å | 1.10Å | |
| C9 | H20 | sing | 0.97Å | 1.10Å | |
| C9 | H21 | sing | 0.97Å | 1.10Å | |
| C9 | H22 | sing | 0.97Å | 1.10Å | |
| N01 | H23 | sing | 0.88Å | 1.00Å | |
| N02 | H24 | sing | 0.88Å | 1.00Å | |
| N1 | H25 | sing | 0.88Å | 1.00Å | |
| N2 | H26 | sing | 0.88Å | 1.00Å | |
| O01 | H27 | sing | 0.86Å | 0.95Å | |
| O02 | H28 | sing | 0.86Å | 0.95Å | |
| O1 | H29 | sing | 0.86Å | 0.95Å | |
| O2 | H30 | sing | 0.86Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | S01 | 106.5° | 109.1° |
| C01 | C02 | C03 | 118.8° | 120.8° |
| C01 | C02 | C07 | 119.0° | 119.7° |
| C02 | C01 | H1 | 110.2° | 109.9° |
| C02 | C01 | H2 | 110.2° | 110.1° |
| C01 | S01 | FE01 | 108.2° | 115.9° |
| C01 | S01 | FE1 | 113.0° | 114.1° |
| S01 | C01 | H1 | 110.2° | 109.2° |
| S01 | C01 | H2 | 110.2° | 109.2° |
| C03 | C02 | C07 | 118.8° | 119.5° |
| C02 | C03 | C04 | 118.2° | 120.1° |
| C02 | C03 | H3 | 120.9° | 119.4° |
| C02 | C07 | C06 | 119.3° | 120.2° |
| C02 | C07 | H5 | 120.3° | 119.3° |
| C03 | C04 | C05 | 121.3° | 120.2° |
| C03 | C04 | O03 | 123.6° | 129.5° |
| C04 | C03 | H3 | 120.9° | 120.6° |
| C05 | C04 | O03 | 114.1° | 110.3° |
| C04 | C05 | C06 | 119.1° | 120.0° |
| C04 | C05 | H4 | 120.5° | 120.0° |
| C04 | O03 | C08 | 117.7° | 121.8° |
| C05 | C06 | C07 | 119.5° | 120.1° |
| C05 | C06 | O04 | 124.4° | 110.7° |
| C06 | C05 | H4 | 120.4° | 120.0° |
| C07 | C06 | O04 | 115.5° | 129.2° |
| C06 | C07 | H5 | 120.3° | 120.5° |
| C06 | O04 | C09 | 118.5° | 121.8° |
| O03 | C08 | H6 | 109.5° | 109.5° |
| O03 | C08 | H7 | 109.4° | 109.4° |
| O03 | C08 | H8 | 109.4° | 109.5° |
| O04 | C09 | H9 | 109.5° | 109.5° |
| O04 | C09 | H10 | 109.5° | 109.4° |
| O04 | C09 | H11 | 109.5° | 109.5° |
| C2 | C1 | S1 | 110.2° | 109.1° |
| C1 | C2 | C3 | 120.3° | 119.9° |
| C1 | C2 | C7 | 119.0° | 120.5° |
| C2 | C1 | H12 | 109.3° | 110.0° |
| C2 | C1 | H13 | 109.3° | 109.9° |
| C1 | S1 | FE01 | 107.0° | 118.3° |
| C1 | S1 | FE1 | 108.0° | 117.3° |
| S1 | C1 | H12 | 109.3° | 109.2° |
| S1 | C1 | H13 | 109.3° | 109.2° |
| C3 | C2 | C7 | 119.7° | 119.6° |
| C2 | C3 | C4 | 118.1° | 120.2° |
| C2 | C3 | H14 | 121.0° | 119.4° |
| C2 | C7 | C6 | 119.4° | 120.1° |
| C2 | C7 | H16 | 120.3° | 119.4° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C3 | C4 | O3 | 123.4° | 129.4° |
| C4 | C3 | H14 | 120.9° | 120.5° |
| C5 | C4 | O3 | 113.9° | 110.5° |
| C4 | C5 | C6 | 118.7° | 120.1° |
| C4 | C5 | H15 | 120.7° | 120.0° |
| C4 | O3 | C8 | 117.5° | 121.8° |
| C5 | C6 | C7 | 119.3° | 120.1° |
| C5 | C6 | O4 | 124.4° | 110.4° |
| C6 | C5 | H15 | 120.7° | 120.0° |
| C7 | C6 | O4 | 115.7° | 129.5° |
| C6 | C7 | H16 | 120.3° | 120.5° |
| C6 | O4 | C9 | 118.5° | 121.8° |
| O3 | C8 | H17 | 109.5° | 109.6° |
| O3 | C8 | H18 | 109.5° | 109.4° |
| O3 | C8 | H19 | 109.5° | 109.6° |
| O4 | C9 | H20 | 109.5° | 109.5° |
| O4 | C9 | H21 | 109.5° | 109.3° |
| O4 | C9 | H22 | 109.4° | 109.5° |
| O01 | N01 | FE01 | 168.7° | 108.7° |
| O01 | N01 | H23 | 93.2° | 113.0° |
| N01 | O01 | H27 | 109.5° | 105.8° |
| N01 | FE01 | N02 | 114.6° | 130.1° |
| N01 | FE01 | S01 | 111.7° | 110.5° |
| N01 | FE01 | S1 | 110.5° | 111.4° |
| FE01 | N01 | H23 | 93.3° | 109.6° |
| O02 | N02 | FE01 | 167.3° | 113.0° |
| O02 | N02 | H24 | 93.7° | 112.5° |
| N02 | O02 | H28 | 109.5° | 105.1° |
| N02 | FE01 | S01 | 106.4° | 113.4° |
| N02 | FE01 | S1 | 107.7° | 116.8° |
| FE01 | N02 | H24 | 93.7° | 110.8° |
| O1 | N1 | FE1 | 168.4° | 108.5° |
| O1 | N1 | H25 | 93.3° | 112.9° |
| N1 | O1 | H29 | 109.5° | 105.9° |
| N1 | FE1 | N2 | 115.4° | 133.0° |
| N1 | FE1 | S01 | 106.9° | 115.0° |
| N1 | FE1 | S1 | 107.8° | 109.0° |
| FE1 | N1 | H25 | 93.3° | 109.6° |
| O2 | N2 | FE1 | 169.2° | 109.1° |
| O2 | N2 | H26 | 93.1° | 113.6° |
| N2 | O2 | H30 | 109.5° | 106.9° |
| N2 | FE1 | S01 | 110.0° | 109.6° |
| N2 | FE1 | S1 | 111.1° | 113.4° |
| FE1 | N2 | H26 | 93.1° | 108.8° |
| FE01 | S01 | FE1 | 74.1° | 106.1° |
| S01 | FE01 | S1 | 105.4° | 42.5° |
| S01 | FE1 | S1 | 105.2° | 42.8° |
| FE01 | S1 | FE1 | 74.1° | 108.6° |
| H1 | C01 | H2 | 109.5° | 109.4° |
| H6 | C08 | H7 | 109.5° | 109.4° |
| H6 | C08 | H8 | 109.5° | 109.5° |
| H7 | C08 | H8 | 109.5° | 109.5° |
| H9 | C09 | H10 | 109.5° | 109.4° |
| H9 | C09 | H11 | 109.4° | 109.6° |
| H10 | C09 | H11 | 109.5° | 109.4° |
| H12 | C1 | H13 | 109.5° | 109.4° |
| H17 | C8 | H18 | 109.4° | 109.4° |
| H17 | C8 | H19 | 109.5° | 109.5° |
| H18 | C8 | H19 | 109.5° | 109.3° |
| H20 | C9 | H21 | 109.5° | 109.4° |
| H20 | C9 | H22 | 109.5° | 109.6° |
| H21 | C9 | H22 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | S01 | H1 | 119.5° | 120.2° |
| C02 | C01 | S01 | H2 | 119.5° | 120.3° |
| C01 | C02 | C03 | C07 | 158.9° | 179.7° |
| C01 | C02 | C03 | C04 | 178.8° | 179.7° |
| C01 | C02 | C07 | C06 | 176.9° | 179.2° |
| C02 | C01 | S01 | FE01 | 84.7° | 76.0° |
| C02 | C01 | S01 | FE1 | 164.7° | 47.6° |
| C02 | C01 | H1 | H2 | 121.4° | 121.0° |
| C01 | C02 | C03 | H3 | 1.2° | 0.4° |
| C01 | C02 | C07 | H5 | 3.1° | 0.2° |
| S01 | C01 | C02 | C03 | 59.3° | 100.3° |
| S01 | C01 | C02 | C07 | 99.6° | 79.4° |
| C01 | S01 | FE01 | N01 | 2.0° | 75.8° |
| C01 | S01 | FE01 | N02 | 127.8° | 79.7° |
| C01 | S01 | FE1 | N1 | 133.7° | 83.2° |
| C01 | S01 | FE1 | N2 | 7.8° | 81.6° |
| C01 | S01 | FE01 | FE1 | 109.5° | 127.7° |
| C01 | S01 | FE01 | S1 | 118.0° | 175.5° |
| C01 | S01 | FE1 | S1 | 111.9° | 174.8° |
| S01 | C01 | H1 | H2 | 121.4° | 119.4° |
| C02 | C03 | C04 | H3 | 180.0° | 179.9° |
| C02 | C03 | C04 | C05 | 5.9° | 0.0° |
| C02 | C03 | C04 | O03 | 162.0° | 179.8° |
| C03 | C02 | C07 | C06 | 18.1° | 0.5° |
| C03 | C02 | C01 | H1 | 178.8° | 140.0° |
| C03 | C02 | C01 | H2 | 60.3° | 19.5° |
| C03 | C02 | C07 | H5 | 161.9° | 179.5° |
| C07 | C02 | C03 | C04 | 19.9° | 0.0° |
| C02 | C07 | C06 | C05 | 2.2° | 1.0° |
| C02 | C07 | C06 | H5 | 180.0° | 179.0° |
| C02 | C07 | C06 | O04 | 169.1° | 179.9° |
| C07 | C02 | C01 | H1 | 19.9° | 40.3° |
| C07 | C02 | C01 | H2 | 140.9° | 160.8° |
| C07 | C02 | C03 | H3 | 160.1° | 179.8° |
| C03 | C04 | C05 | O03 | 169.0° | 179.8° |
| C03 | C04 | C05 | C06 | 9.9° | 0.5° |
| C03 | C04 | O03 | C08 | 6.6° | 0.3° |
| C03 | C04 | C05 | H4 | 170.1° | 179.8° |
| C04 | C05 | C06 | H4 | 180.0° | 179.3° |
| C04 | C05 | C06 | C07 | 11.8° | 1.0° |
| C04 | C05 | C06 | O04 | 177.8° | 179.9° |
| C05 | C04 | O03 | C08 | 175.4° | 179.5° |
| C05 | C04 | C03 | H3 | 174.1° | 179.8° |
| O03 | C04 | C05 | C06 | 179.0° | 179.7° |
| O03 | C04 | C03 | H3 | 18.0° | 0.1° |
| O03 | C04 | C05 | H4 | 1.0° | 0.3° |
| C04 | O03 | C08 | H6 | 180.0° | 60.0° |
| C04 | O03 | C08 | H7 | 60.0° | 179.9° |
| C04 | O03 | C08 | H8 | 60.0° | 60.1° |
| C05 | C06 | C07 | O04 | 171.3° | 178.9° |
| C05 | C06 | O04 | C09 | 5.5° | 175.8° |
| C05 | C06 | C07 | H5 | 177.8° | 180.0° |
| C07 | C06 | O04 | C09 | 165.2° | 5.2° |
| C07 | C06 | C05 | H4 | 168.2° | 179.7° |
| O04 | C06 | C05 | H4 | 2.2° | 0.6° |
| O04 | C06 | C07 | H5 | 10.9° | 1.1° |
| C06 | O04 | C09 | H9 | 180.0° | 58.0° |
| C06 | O04 | C09 | H10 | 60.0° | 177.9° |
| C06 | O04 | C09 | H11 | 60.0° | 62.2° |
| O03 | C08 | H6 | H7 | 120.0° | 119.9° |
| O03 | C08 | H6 | H8 | 120.0° | 120.1° |
| O03 | C08 | H7 | H8 | 120.0° | 120.0° |
| O04 | C09 | H9 | H10 | 120.0° | 119.8° |
| O04 | C09 | H9 | H11 | 120.0° | 120.2° |
| O04 | C09 | H10 | H11 | 120.0° | 120.0° |
| C2 | C1 | S1 | H12 | 120.1° | 120.3° |
| C2 | C1 | S1 | H13 | 120.1° | 120.1° |
| C1 | C2 | C3 | C7 | 168.4° | 179.4° |
| C1 | C2 | C3 | C4 | 179.1° | 179.8° |
| C1 | C2 | C7 | C6 | 177.1° | 179.8° |
| C2 | C1 | S1 | FE01 | 165.7° | 81.5° |
| C2 | C1 | S1 | FE1 | 87.4° | 51.8° |
| C2 | C1 | H12 | H13 | 119.7° | 120.8° |
| C1 | C2 | C3 | H14 | 0.9° | 0.4° |
| C1 | C2 | C7 | H16 | 2.9° | 0.5° |
| S1 | C1 | C2 | C3 | 99.5° | 84.2° |
| S1 | C1 | C2 | C7 | 92.0° | 95.2° |
| C1 | S1 | FE01 | N01 | 143.3° | 66.5° |
| C1 | S1 | FE01 | N02 | 17.4° | 100.0° |
| C1 | S1 | FE1 | N1 | 19.1° | 56.4° |
| C1 | S1 | FE1 | N2 | 146.4° | 103.1° |
| C1 | S1 | FE01 | S01 | 95.9° | 163.9° |
| C1 | S1 | FE1 | S01 | 94.6° | 162.9° |
| C1 | S1 | FE01 | FE1 | 104.4° | 137.0° |
| S1 | C1 | H12 | H13 | 119.6° | 119.5° |
| C2 | C3 | C4 | H14 | 180.0° | 179.8° |
| C2 | C3 | C4 | C5 | 6.4° | 0.3° |
| C2 | C3 | C4 | O3 | 159.0° | 180.0° |
| C3 | C2 | C7 | C6 | 14.4° | 0.4° |
| C3 | C2 | C1 | H12 | 20.6° | 156.1° |
| C3 | C2 | C1 | H13 | 140.4° | 35.5° |
| C3 | C2 | C7 | H16 | 165.6° | 179.9° |
| C7 | C2 | C3 | C4 | 10.7° | 0.4° |
| C2 | C7 | C6 | C5 | 1.1° | 0.3° |
| C2 | C7 | C6 | H16 | 180.0° | 179.7° |
| C2 | C7 | C6 | O4 | 172.3° | 179.8° |
| C7 | C2 | C1 | H12 | 147.9° | 24.5° |
| C7 | C2 | C1 | H13 | 28.1° | 145.1° |
| C7 | C2 | C3 | H14 | 169.3° | 179.8° |
| C3 | C4 | C5 | O3 | 166.7° | 179.8° |
| C3 | C4 | C5 | C6 | 19.6° | 0.1° |
| C3 | C4 | O3 | C8 | 140.7° | 1.3° |
| C3 | C4 | C5 | H15 | 160.4° | 180.0° |
| C4 | C5 | C6 | H15 | 180.0° | 179.9° |
| C4 | C5 | C6 | C7 | 15.6° | 0.1° |
| C4 | C5 | C6 | O4 | 154.7° | 179.9° |
| C5 | C4 | O3 | C8 | 25.6° | 178.5° |
| C5 | C4 | C3 | H14 | 173.6° | 179.9° |
| O3 | C4 | C5 | C6 | 147.1° | 179.9° |
| O3 | C4 | C3 | H14 | 21.0° | 0.2° |
| O3 | C4 | C5 | H15 | 33.0° | 0.2° |
| C4 | O3 | C8 | H17 | 180.0° | 60.0° |
| C4 | O3 | C8 | H18 | 60.0° | 180.0° |
| C4 | O3 | C8 | H19 | 60.0° | 60.2° |
| C5 | C6 | C7 | O4 | 171.1° | 179.9° |
| C5 | C6 | O4 | C9 | 138.2° | 179.7° |
| C5 | C6 | C7 | H16 | 178.9° | 180.0° |
| C7 | C6 | O4 | C9 | 51.2° | 0.3° |
| C7 | C6 | C5 | H15 | 164.4° | 180.0° |
| O4 | C6 | C5 | H15 | 25.3° | 0.0° |
| O4 | C6 | C7 | H16 | 7.7° | 0.1° |
| C6 | O4 | C9 | H20 | 180.0° | 60.1° |
| C6 | O4 | C9 | H21 | 60.0° | 179.9° |
| C6 | O4 | C9 | H22 | 60.0° | 60.1° |
| O3 | C8 | H17 | H18 | 120.0° | 119.9° |
| O3 | C8 | H17 | H19 | 120.0° | 120.2° |
| O3 | C8 | H18 | H19 | 120.0° | 120.0° |
| O4 | C9 | H20 | H21 | 120.0° | 119.9° |
| O4 | C9 | H20 | H22 | 120.0° | 120.2° |
| O4 | C9 | H21 | H22 | 120.0° | 119.9° |
| O01 | N01 | FE01 | H23 | 125.1° | 123.9° |
| O01 | N01 | FE01 | N02 | 143.1° | 47.9° |
| O01 | N01 | FE01 | S01 | 22.0° | 102.2° |
| O01 | N01 | FE01 | S1 | 95.0° | 147.9° |
| N01 | FE01 | N02 | O02 | 45.3° | 111.7° |
| N01 | FE01 | N02 | S01 | 124.0° | 149.5° |
| N01 | FE01 | N02 | S1 | 123.4° | 163.5° |
| N01 | FE01 | S01 | S1 | 120.0° | 99.7° |
| N01 | FE01 | S01 | FE1 | 111.5° | 156.5° |
| N01 | FE01 | S1 | FE1 | 112.4° | 156.5° |
| N01 | FE01 | N02 | H24 | 79.8° | 121.0° |
| FE01 | N01 | O01 | H27 | 180.0° | 57.9° |
| O02 | N02 | FE01 | H24 | 125.1° | 127.3° |
| O02 | N02 | FE01 | S01 | 78.7° | 98.8° |
| O02 | N02 | FE01 | S1 | 168.7° | 51.9° |
| N02 | FE01 | S01 | S1 | 114.2° | 104.8° |
| N02 | FE01 | S01 | FE1 | 122.7° | 48.0° |
| N02 | FE01 | S1 | FE1 | 121.8° | 37.0° |
| N02 | FE01 | N01 | H23 | 91.8° | 171.8° |
| FE01 | N02 | O02 | H28 | 180.0° | 55.3° |
| O1 | N1 | FE1 | H25 | 125.1° | 123.6° |
| O1 | N1 | FE1 | N2 | 16.2° | 30.7° |
| O1 | N1 | FE1 | S01 | 106.4° | 169.1° |
| O1 | N1 | FE1 | S1 | 140.9° | 123.2° |
| N1 | FE1 | N2 | O2 | 82.0° | 21.7° |
| N1 | FE1 | N2 | S01 | 120.9° | 161.0° |
| N1 | FE1 | N2 | S1 | 123.0° | 153.0° |
| N1 | FE1 | S01 | FE01 | 122.9° | 148.0° |
| N1 | FE1 | S01 | S1 | 114.4° | 91.5° |
| N1 | FE1 | S1 | FE01 | 122.3° | 166.1° |
| N1 | FE1 | N2 | H26 | 152.8° | 146.1° |
| FE1 | N1 | O1 | H29 | 180.0° | 58.1° |
| O2 | N2 | FE1 | H26 | 125.1° | 124.4° |
| O2 | N2 | FE1 | S01 | 157.1° | 139.3° |
| O2 | N2 | FE1 | S1 | 41.0° | 174.7° |
| N2 | FE1 | S01 | FE01 | 111.2° | 47.2° |
| N2 | FE1 | S01 | S1 | 119.7° | 103.7° |
| N2 | FE1 | S1 | FE01 | 110.5° | 34.4° |
| N2 | FE1 | N1 | H25 | 141.3° | 154.4° |
| FE1 | N2 | O2 | H30 | 180.0° | 121.6° |
| FE01 | S01 | FE1 | S1 | 8.5° | 56.5° |
| FE01 | S01 | C01 | H1 | 155.8° | 44.2° |
| FE01 | S01 | C01 | H2 | 34.8° | 163.7° |
| S01 | FE01 | N01 | H23 | 147.1° | 21.7° |
| S01 | FE01 | N02 | H24 | 156.2° | 28.5° |
| FE1 | S01 | C01 | H1 | 75.8° | 167.8° |
| FE1 | S01 | C01 | H2 | 45.2° | 72.7° |
| S01 | FE1 | N1 | H25 | 18.7° | 45.4° |
| S01 | FE1 | N2 | H26 | 31.9° | 14.8° |
| FE01 | S1 | C1 | H12 | 45.6° | 158.3° |
| FE01 | S1 | C1 | H13 | 74.2° | 38.6° |
| S1 | FE01 | N01 | H23 | 30.1° | 23.9° |
| S1 | FE01 | N02 | H24 | 43.6° | 75.5° |
| FE1 | S1 | C1 | H12 | 32.7° | 68.4° |
| FE1 | S1 | C1 | H13 | 152.5° | 171.9° |
| S1 | FE1 | N1 | H25 | 94.0° | 0.5° |
| S1 | FE1 | N2 | H26 | 84.2° | 60.8° |
| H6 | C08 | H7 | H8 | 120.0° | 120.1° |
| H9 | C09 | H10 | H11 | 120.0° | 120.1° |
| H17 | C8 | H18 | H19 | 120.0° | 120.0° |
| H20 | C9 | H21 | H22 | 120.0° | 120.1° |
| H23 | N01 | O01 | H27 | 54.9° | 179.8° |
| H24 | N02 | O02 | H28 | 54.9° | 178.3° |
| H25 | N1 | O1 | H29 | 54.9° | 179.8° |
| H26 | N2 | O2 | H30 | 54.9° | 0.1° |
