84A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| FE1 | C14 | sing | 2.04Å | 2.14Å | |
| FE1 | C15 | sing | 2.04Å | 2.08Å | |
| FE1 | C16 | sing | 2.05Å | 2.06Å | |
| FE1 | C17 | sing | 2.06Å | 2.10Å | |
| FE1 | C18 | sing | 2.05Å | 2.15Å | |
| FE1 | C19 | sing | 2.02Å | 2.08Å | |
| FE1 | C20 | sing | 2.05Å | 1.95Å | |
| FE1 | C21 | sing | 2.04Å | 1.97Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | C4 | doub | 1.39Å | 1.40Å | Aromatic |
| C3 | S7 | sing | 1.77Å | 1.74Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | doub | 1.39Å | 1.41Å | Aromatic |
| C6 | N11 | sing | 1.44Å | 1.35Å | |
| S7 | O8 | doub | 1.43Å | 1.50Å | |
| S7 | O9 | doub | 1.43Å | 1.47Å | |
| S7 | N10 | sing | 1.60Å | 1.58Å | |
| N11 | C12 | sing | 1.37Å | 1.33Å | Aromatic |
| N11 | N15 | sing | 1.37Å | 1.24Å | Aromatic |
| C12 | C13 | doub | 1.37Å | 1.33Å | Aromatic |
| C12 | C19 | sing | 1.48Å | 1.39Å | |
| C13 | N14 | sing | 1.35Å | 1.34Å | Aromatic |
| C14 | C15 | sing | 1.42Å | 1.33Å | |
| C14 | C18 | sing | 1.40Å | 1.33Å | |
| N14 | N15 | doub | 1.31Å | 1.24Å | Aromatic |
| C15 | C16 | doub | 1.40Å | 1.33Å | |
| C16 | C17 | sing | 1.40Å | 1.33Å | |
| C17 | C18 | doub | 1.40Å | 1.33Å | |
| C19 | C20 | sing | 1.37Å | 1.33Å | |
| C19 | C23 | sing | 1.35Å | 1.33Å | |
| C20 | C21 | doub | 1.36Å | 1.33Å | |
| C21 | C22 | sing | 1.43Å | 1.33Å | |
| C22 | C23 | doub | 1.38Å | 1.33Å | |
| FE1 | C22 | sing | 2.05Å | 2.12Å | |
| FE1 | C23 | sing | 2.05Å | 2.19Å | |
| C1 | H1 | sing | 0.94Å | 1.08Å | |
| C2 | H2 | sing | 0.94Å | 1.08Å | |
| C4 | H4 | sing | 0.94Å | 1.08Å | |
| C5 | H5 | sing | 0.94Å | 1.08Å | |
| N10 | HN10 | sing | 0.86Å | 1.00Å | |
| N10 | HN1A | sing | 0.86Å | 1.00Å | |
| C13 | H13 | sing | 0.94Å | 1.08Å | |
| C14 | H14 | sing | 0.94Å | 1.10Å | |
| H3 | C18 | sing | 0.94Å | 1.10Å | |
| H6 | C17 | sing | 0.94Å | 1.10Å | |
| H7 | C16 | sing | 0.94Å | 1.10Å | |
| H8 | C15 | sing | 0.94Å | 1.10Å | |
| H9 | C20 | sing | 0.94Å | 1.10Å | |
| H10 | C21 | sing | 0.95Å | 1.10Å | |
| H11 | C22 | sing | 0.95Å | 1.10Å | |
| H12 | C23 | sing | 0.95Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 120.9° | 120.1° |
| C1 | C2 | C3 | 120.2° | 120.1° |
| C2 | C1 | H1 | 119.5° | 119.3° |
| C1 | C2 | H2 | 119.9° | 120.0° |
| C1 | C6 | C5 | 118.2° | 119.7° |
| C1 | C6 | N11 | 119.2° | 120.9° |
| C6 | C1 | H1 | 119.5° | 120.5° |
| C14 | FE1 | C15 | 36.8° | 40.7° |
| C14 | FE1 | C16 | 61.6° | 67.7° |
| C14 | FE1 | C17 | 61.0° | 66.7° |
| C14 | FE1 | C18 | 36.1° | 39.9° |
| C14 | FE1 | C19 | 111.5° | 124.3° |
| C14 | FE1 | C20 | 132.7° | 143.6° |
| C14 | FE1 | C21 | 172.0° | 109.3° |
| FE1 | C14 | C15 | 69.1° | 69.6° |
| FE1 | C14 | C18 | 72.4° | 70.2° |
| C14 | FE1 | C22 | 147.6° | 77.3° |
| C14 | FE1 | C23 | 119.1° | 86.5° |
| FE1 | C14 | H14 | 110.8° | 125.8° |
| C15 | FE1 | C16 | 37.4° | 40.0° |
| C15 | FE1 | C17 | 62.0° | 66.7° |
| C15 | FE1 | C18 | 61.2° | 67.7° |
| C15 | FE1 | C19 | 121.2° | 142.6° |
| C15 | FE1 | C20 | 115.6° | 124.6° |
| C15 | FE1 | C21 | 138.4° | 87.0° |
| FE1 | C15 | C14 | 74.1° | 69.7° |
| FE1 | C15 | C16 | 70.4° | 70.1° |
| C15 | FE1 | C22 | 174.9° | 78.0° |
| C15 | FE1 | C23 | 148.9° | 109.1° |
| FE1 | C15 | H8 | 111.8° | 125.5° |
| C16 | FE1 | C17 | 37.4° | 39.8° |
| C16 | FE1 | C18 | 61.5° | 67.6° |
| C16 | FE1 | C19 | 153.8° | 165.4° |
| C16 | FE1 | C20 | 125.5° | 126.1° |
| C16 | FE1 | C21 | 118.9° | 104.3° |
| FE1 | C16 | C15 | 72.2° | 69.8° |
| FE1 | C16 | C17 | 73.1° | 70.5° |
| C16 | FE1 | C22 | 138.3° | 114.8° |
| C16 | FE1 | C23 | 170.0° | 149.1° |
| FE1 | C16 | H7 | 112.0° | 126.3° |
| C17 | FE1 | C18 | 36.5° | 39.8° |
| C17 | FE1 | C19 | 164.6° | 148.6° |
| C17 | FE1 | C20 | 156.6° | 147.5° |
| C17 | FE1 | C21 | 124.9° | 143.8° |
| FE1 | C17 | C16 | 69.5° | 69.7° |
| FE1 | C17 | C18 | 73.8° | 69.8° |
| C17 | FE1 | C22 | 116.3° | 141.8° |
| C17 | FE1 | C23 | 133.0° | 143.1° |
| FE1 | C17 | H6 | 111.5° | 124.6° |
| C18 | FE1 | C19 | 129.5° | 126.7° |
| C18 | FE1 | C20 | 165.8° | 165.7° |
| C18 | FE1 | C21 | 151.9° | 149.3° |
| FE1 | C18 | C14 | 71.5° | 69.9° |
| FE1 | C18 | C17 | 69.7° | 70.4° |
| C18 | FE1 | C22 | 120.8° | 113.4° |
| C18 | FE1 | C23 | 112.6° | 103.6° |
| FE1 | C18 | H3 | 110.7° | 126.6° |
| C19 | FE1 | C20 | 38.4° | 39.3° |
| C19 | FE1 | C21 | 64.2° | 65.1° |
| FE1 | C19 | C12 | 124.8° | 145.4° |
| FE1 | C19 | C20 | 65.2° | 71.6° |
| FE1 | C19 | C23 | 76.3° | 72.0° |
| C19 | FE1 | C22 | 61.8° | 64.6° |
| C19 | FE1 | C23 | 36.2° | 38.5° |
| C20 | FE1 | C21 | 39.7° | 38.7° |
| FE1 | C20 | C19 | 76.4° | 69.1° |
| FE1 | C20 | C21 | 71.1° | 70.1° |
| C20 | FE1 | C22 | 63.8° | 66.4° |
| C20 | FE1 | C23 | 62.3° | 66.8° |
| FE1 | C20 | H9 | 113.5° | 125.7° |
| FE1 | C21 | C20 | 69.2° | 71.2° |
| FE1 | C21 | C22 | 77.3° | 69.8° |
| C21 | FE1 | C22 | 37.8° | 41.0° |
| C21 | FE1 | C23 | 62.0° | 67.5° |
| FE1 | C21 | H10 | 113.2° | 124.3° |
| C2 | C3 | C4 | 119.8° | 119.9° |
| C2 | C3 | S7 | 116.9° | 119.1° |
| C3 | C2 | H2 | 119.9° | 119.9° |
| C4 | C3 | S7 | 123.0° | 121.0° |
| C3 | C4 | C5 | 119.4° | 119.9° |
| C3 | C4 | H4 | 120.3° | 120.3° |
| C3 | S7 | O8 | 98.8° | 108.6° |
| C3 | S7 | O9 | 112.8° | 107.1° |
| C3 | S7 | N10 | 109.5° | 108.1° |
| C4 | C5 | C6 | 121.4° | 120.1° |
| C5 | C4 | H4 | 120.3° | 119.8° |
| C4 | C5 | H5 | 119.3° | 119.6° |
| C5 | C6 | N11 | 122.6° | 119.3° |
| C6 | C5 | H5 | 119.3° | 120.3° |
| C6 | N11 | C12 | 127.0° | 132.2° |
| C6 | N11 | N15 | 122.9° | 119.6° |
| O8 | S7 | O9 | 113.5° | 118.8° |
| O8 | S7 | N10 | 111.6° | 106.9° |
| O9 | S7 | N10 | 110.2° | 107.0° |
| S7 | N10 | HN10 | 109.5° | 113.4° |
| S7 | N10 | HN1A | 109.5° | 113.4° |
| C12 | N11 | N15 | 110.1° | 107.9° |
| N11 | C12 | C13 | 104.6° | 105.7° |
| N11 | C12 | C19 | 127.1° | 132.4° |
| N11 | N15 | N14 | 110.6° | 108.8° |
| C13 | C12 | C19 | 128.2° | 121.8° |
| C12 | C13 | N14 | 106.1° | 108.7° |
| C12 | C13 | H13 | 127.0° | 126.1° |
| C12 | C19 | C20 | 125.7° | 120.8° |
| C12 | C19 | C23 | 126.6° | 121.6° |
| C13 | N14 | N15 | 108.6° | 108.7° |
| N14 | C13 | H13 | 127.0° | 125.1° |
| C15 | C14 | C18 | 108.1° | 107.9° |
| C14 | C15 | C16 | 107.9° | 107.9° |
| C15 | C14 | H14 | 124.8° | 126.4° |
| C14 | C15 | H8 | 125.4° | 126.2° |
| C14 | C18 | C17 | 108.0° | 107.5° |
| C18 | C14 | H14 | 124.9° | 125.7° |
| C14 | C18 | H3 | 124.8° | 126.3° |
| C15 | C16 | C17 | 108.2° | 107.4° |
| C15 | C16 | H7 | 125.5° | 126.3° |
| C16 | C15 | H8 | 125.6° | 126.0° |
| C16 | C17 | C18 | 107.9° | 109.3° |
| C16 | C17 | H6 | 125.3° | 125.3° |
| C17 | C16 | H7 | 125.4° | 126.3° |
| C17 | C18 | H3 | 124.8° | 126.2° |
| C18 | C17 | H6 | 125.4° | 125.3° |
| C20 | C19 | C23 | 107.6° | 112.6° |
| C19 | C20 | C21 | 108.3° | 106.5° |
| C19 | C20 | H9 | 125.7° | 126.9° |
| C19 | C23 | C22 | 108.3° | 105.7° |
| C19 | C23 | FE1 | 67.4° | 69.5° |
| C19 | C23 | H12 | 123.5° | 127.3° |
| C20 | C21 | C22 | 108.0° | 107.4° |
| C21 | C20 | H9 | 125.7° | 126.5° |
| C20 | C21 | H10 | 125.8° | 126.3° |
| C21 | C22 | C23 | 107.7° | 107.8° |
| C21 | C22 | FE1 | 64.9° | 69.2° |
| C22 | C21 | H10 | 125.7° | 126.3° |
| C21 | C22 | H11 | 124.8° | 125.9° |
| C23 | C22 | FE1 | 74.8° | 70.5° |
| C22 | C23 | FE1 | 69.2° | 70.1° |
| C23 | C22 | H11 | 124.8° | 126.2° |
| C22 | C23 | H12 | 123.5° | 127.0° |
| C22 | FE1 | C23 | 35.9° | 39.4° |
| FE1 | C22 | H11 | 111.0° | 128.6° |
| FE1 | C23 | H12 | 109.6° | 124.9° |
| HN10 | N10 | HN1A | 109.5° | 116.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 176.7° |
| C1 | C2 | C3 | H2 | 180.0° | 179.4° |
| C1 | C2 | C3 | C4 | 5.1° | 0.6° |
| C1 | C2 | C3 | S7 | 178.2° | 179.4° |
| C2 | C1 | C6 | C5 | 0.2° | 3.0° |
| C2 | C1 | C6 | N11 | 178.2° | 179.2° |
| C6 | C1 | C2 | C3 | 3.1° | 2.1° |
| C1 | C6 | C5 | C4 | 0.9° | 2.6° |
| C1 | C6 | C5 | N11 | 178.3° | 176.3° |
| C1 | C6 | N11 | C12 | 123.1° | 22.2° |
| C1 | C6 | N11 | N15 | 58.9° | 151.6° |
| C6 | C1 | C2 | H2 | 176.8° | 178.5° |
| C1 | C6 | C5 | H5 | 179.1° | 178.5° |
| C14 | FE1 | C15 | C16 | 116.2° | 118.8° |
| C14 | FE1 | C15 | C17 | 78.1° | 80.7° |
| C14 | FE1 | C15 | C18 | 36.4° | 37.4° |
| C14 | FE1 | C15 | C19 | 84.6° | 84.4° |
| C14 | FE1 | C15 | C20 | 128.1° | 134.3° |
| C14 | FE1 | C15 | C21 | 169.8° | 124.7° |
| C14 | FE1 | C15 | C22 | 151.0° | 84.3° |
| C14 | FE1 | C15 | C23 | 49.9° | 59.8° |
| C14 | FE1 | C16 | C17 | 78.4° | 79.8° |
| C14 | FE1 | C16 | C18 | 41.3° | 43.3° |
| C14 | FE1 | C16 | C19 | 81.1° | 147.3° |
| C14 | FE1 | C16 | C20 | 124.2° | 141.1° |
| C14 | FE1 | C16 | C21 | 170.9° | 105.4° |
| C14 | FE1 | C16 | C22 | 146.7° | 63.1° |
| C14 | FE1 | C16 | C23 | 97.0° | 35.5° |
| C14 | FE1 | C17 | C18 | 36.4° | 38.1° |
| C14 | FE1 | C17 | C19 | 64.2° | 118.1° |
| C14 | FE1 | C17 | C20 | 132.3° | 162.9° |
| C14 | FE1 | C17 | C21 | 173.5° | 91.2° |
| C14 | FE1 | C17 | C22 | 143.4° | 20.4° |
| C14 | FE1 | C17 | C23 | 104.1° | 46.7° |
| C14 | FE1 | C18 | C19 | 71.1° | 101.8° |
| C14 | FE1 | C18 | C20 | 43.3° | 113.2° |
| C14 | FE1 | C18 | C21 | 178.6° | 1.3° |
| C14 | FE1 | C18 | C22 | 148.3° | 26.9° |
| C14 | FE1 | C18 | C23 | 108.9° | 67.3° |
| C14 | FE1 | C19 | C20 | 132.6° | 134.9° |
| C14 | FE1 | C19 | C21 | 172.6° | 97.2° |
| C14 | FE1 | C19 | C22 | 144.9° | 51.7° |
| C14 | FE1 | C19 | C23 | 110.3° | 12.7° |
| C14 | FE1 | C20 | C21 | 176.1° | 36.6° |
| C14 | FE1 | C20 | C22 | 145.7° | 2.8° |
| C14 | FE1 | C20 | C23 | 105.2° | 45.9° |
| C14 | FE1 | C21 | C22 | 135.9° | 40.5° |
| C14 | FE1 | C21 | C23 | 100.1° | 77.5° |
| C14 | FE1 | C19 | C12 | 15.1° | 107.2° |
| FE1 | C14 | C15 | H14 | 101.4° | 120.1° |
| FE1 | C14 | C18 | H14 | 103.5° | 120.4° |
| C14 | FE1 | C22 | C23 | 51.2° | 100.1° |
| FE1 | C14 | C18 | H3 | 102.7° | 121.2° |
| C14 | FE1 | C17 | H6 | 158.7° | 157.8° |
| C14 | FE1 | C16 | H7 | 159.6° | 158.9° |
| FE1 | C14 | C15 | H8 | 105.7° | 119.8° |
| C14 | FE1 | C20 | H9 | 54.5° | 157.9° |
| C14 | FE1 | C21 | H10 | 100.5° | 80.4° |
| C14 | FE1 | C22 | H11 | 70.8° | 21.1° |
| C14 | FE1 | C23 | H12 | 32.0° | 47.7° |
| C15 | FE1 | C16 | C17 | 116.1° | 117.9° |
| C15 | FE1 | C16 | C18 | 78.9° | 81.5° |
| C15 | FE1 | C16 | C19 | 43.5° | 109.2° |
| C15 | FE1 | C16 | C20 | 86.5° | 103.0° |
| C15 | FE1 | C16 | C21 | 133.2° | 67.2° |
| C15 | FE1 | C16 | C22 | 175.6° | 25.0° |
| C15 | FE1 | C16 | C23 | 134.6° | 2.6° |
| C15 | FE1 | C17 | C18 | 78.5° | 82.6° |
| C15 | FE1 | C17 | C19 | 106.3° | 162.6° |
| C15 | FE1 | C17 | C20 | 90.2° | 118.5° |
| C15 | FE1 | C17 | C21 | 131.4° | 46.7° |
| C15 | FE1 | C17 | C22 | 174.6° | 24.0° |
| C15 | FE1 | C17 | C23 | 146.2° | 91.2° |
| C15 | FE1 | C18 | C19 | 108.2° | 139.9° |
| C15 | FE1 | C18 | C20 | 80.5° | 151.3° |
| C15 | FE1 | C18 | C21 | 141.5° | 36.8° |
| C15 | FE1 | C18 | C22 | 174.6° | 65.0° |
| C15 | FE1 | C18 | C23 | 146.1° | 105.4° |
| C15 | FE1 | C19 | C20 | 92.8° | 83.1° |
| C15 | FE1 | C19 | C21 | 132.7° | 45.5° |
| C15 | FE1 | C19 | C22 | 175.2° | 0.0° |
| C15 | FE1 | C19 | C23 | 150.2° | 39.1° |
| C15 | FE1 | C20 | C21 | 136.2° | 15.3° |
| C15 | FE1 | C20 | C22 | 174.4° | 54.7° |
| C15 | FE1 | C20 | C23 | 145.2° | 97.8° |
| C15 | FE1 | C21 | C22 | 174.7° | 75.1° |
| C15 | FE1 | C21 | C23 | 149.5° | 112.1° |
| C15 | FE1 | C19 | C12 | 24.8° | 159.0° |
| FE1 | C15 | C16 | H8 | 103.3° | 120.0° |
| C15 | FE1 | C22 | C23 | 161.7° | 141.8° |
| C15 | FE1 | C18 | H3 | 158.3° | 159.0° |
| C15 | FE1 | C17 | H6 | 159.2° | 157.8° |
| FE1 | C15 | C16 | H7 | 104.8° | 120.8° |
| C15 | FE1 | C20 | H9 | 14.6° | 106.0° |
| C15 | FE1 | C21 | H10 | 51.1° | 45.8° |
| C15 | FE1 | C22 | H11 | 76.4° | 20.6° |
| C15 | FE1 | C23 | H12 | 63.6° | 82.0° |
| C16 | FE1 | C17 | C18 | 116.7° | 120.8° |
| C16 | FE1 | C17 | C19 | 144.5° | 159.2° |
| C16 | FE1 | C17 | C20 | 52.0° | 80.3° |
| C16 | FE1 | C17 | C21 | 93.3° | 8.5° |
| C16 | FE1 | C17 | C22 | 136.4° | 62.2° |
| C16 | FE1 | C17 | C23 | 175.7° | 129.4° |
| C16 | FE1 | C18 | C19 | 151.1° | 176.7° |
| C16 | FE1 | C18 | C20 | 123.4° | 165.3° |
| C16 | FE1 | C18 | C21 | 98.6° | 80.2° |
| C16 | FE1 | C18 | C22 | 131.7° | 108.4° |
| C16 | FE1 | C18 | C23 | 171.0° | 148.8° |
| C16 | FE1 | C19 | C20 | 63.5° | 7.9° |
| C16 | FE1 | C19 | C21 | 103.4° | 45.5° |
| C16 | FE1 | C19 | C22 | 146.0° | 91.0° |
| C16 | FE1 | C19 | C23 | 179.4° | 130.1° |
| C16 | FE1 | C20 | C21 | 93.9° | 64.9° |
| C16 | FE1 | C20 | C22 | 132.1° | 104.3° |
| C16 | FE1 | C20 | C23 | 172.6° | 147.5° |
| C16 | FE1 | C21 | C22 | 132.9° | 111.5° |
| C16 | FE1 | C21 | C23 | 168.6° | 148.5° |
| C16 | FE1 | C19 | C12 | 54.1° | 110.0° |
| FE1 | C16 | C17 | H7 | 105.4° | 121.3° |
| C16 | FE1 | C22 | C23 | 166.9° | 157.9° |
| C16 | FE1 | C14 | H14 | 158.9° | 158.3° |
| C16 | FE1 | C18 | H3 | 158.8° | 157.6° |
| FE1 | C16 | C17 | H6 | 102.4° | 118.7° |
| C16 | FE1 | C20 | H9 | 27.7° | 56.4° |
| C16 | FE1 | C21 | H10 | 9.2° | 9.3° |
| C16 | FE1 | C22 | H11 | 44.9° | 36.7° |
| C16 | FE1 | C23 | H12 | 59.5° | 80.2° |
| C17 | FE1 | C18 | C19 | 170.8° | 140.2° |
| C17 | FE1 | C18 | C20 | 161.5° | 128.8° |
| C17 | FE1 | C18 | C21 | 60.5° | 116.7° |
| C17 | FE1 | C18 | C22 | 93.6° | 144.9° |
| C17 | FE1 | C18 | C23 | 132.9° | 174.7° |
| C17 | FE1 | C19 | C20 | 169.5° | 123.8° |
| C17 | FE1 | C19 | C21 | 129.6° | 161.5° |
| C17 | FE1 | C19 | C22 | 87.0° | 153.0° |
| C17 | FE1 | C19 | C23 | 52.4° | 114.0° |
| C17 | FE1 | C20 | C21 | 57.9° | 116.4° |
| C17 | FE1 | C20 | C22 | 96.1° | 155.8° |
| C17 | FE1 | C20 | C23 | 136.6° | 161.1° |
| C17 | FE1 | C21 | C22 | 89.1° | 117.1° |
| C17 | FE1 | C21 | C23 | 124.9° | 154.2° |
| C17 | FE1 | C19 | C12 | 72.9° | 5.9° |
| FE1 | C17 | C18 | H6 | 105.2° | 118.8° |
| C17 | FE1 | C22 | C23 | 127.9° | 119.3° |
| C17 | FE1 | C14 | H14 | 158.3° | 158.3° |
| FE1 | C17 | C18 | H3 | 101.6° | 121.6° |
| C17 | FE1 | C15 | H8 | 159.6° | 158.6° |
| C17 | FE1 | C20 | H9 | 63.7° | 5.0° |
| C17 | FE1 | C21 | H10 | 34.6° | 3.7° |
| C17 | FE1 | C22 | H11 | 6.0° | 1.9° |
| C17 | FE1 | C23 | H12 | 44.2° | 5.6° |
| C18 | FE1 | C19 | C20 | 169.4° | 175.6° |
| C18 | FE1 | C19 | C21 | 150.6° | 146.7° |
| C18 | FE1 | C19 | C22 | 108.1° | 101.2° |
| C18 | FE1 | C19 | C23 | 73.5° | 62.2° |
| C18 | FE1 | C20 | C21 | 150.5° | 132.0° |
| C18 | FE1 | C20 | C22 | 112.3° | 92.6° |
| C18 | FE1 | C20 | C23 | 71.8° | 49.5° |
| C18 | FE1 | C21 | C22 | 50.0° | 41.4° |
| C18 | FE1 | C21 | C23 | 85.8° | 78.4° |
| C18 | FE1 | C19 | C12 | 51.9° | 57.7° |
| C18 | FE1 | C22 | C23 | 86.5° | 82.8° |
| C18 | FE1 | C16 | H7 | 159.2° | 157.7° |
| C18 | FE1 | C15 | H8 | 158.7° | 158.1° |
| C18 | FE1 | C20 | H9 | 87.9° | 106.7° |
| C18 | FE1 | C21 | H10 | 73.6° | 79.4° |
| C18 | FE1 | C22 | H11 | 35.5° | 38.4° |
| C18 | FE1 | C23 | H12 | 7.7° | 11.3° |
| C19 | FE1 | C20 | C21 | 115.1° | 117.5° |
| C19 | FE1 | C20 | C22 | 76.9° | 78.1° |
| C19 | FE1 | C20 | C23 | 36.5° | 35.0° |
| C19 | FE1 | C21 | C22 | 76.5° | 79.2° |
| C19 | FE1 | C21 | C23 | 40.7° | 42.2° |
| FE1 | C19 | C12 | N11 | 126.2° | 2.5° |
| FE1 | C19 | C12 | C13 | 53.0° | 177.9° |
| FE1 | C19 | C12 | C20 | 82.6° | 102.5° |
| FE1 | C19 | C12 | C23 | 99.1° | 104.6° |
| C19 | FE1 | C22 | C23 | 34.9° | 38.2° |
| C19 | FE1 | C14 | H14 | 6.8° | 12.2° |
| C19 | FE1 | C18 | H3 | 50.1° | 19.1° |
| C19 | FE1 | C17 | H6 | 94.4° | 39.7° |
| C19 | FE1 | C16 | H7 | 78.4° | 11.7° |
| C19 | FE1 | C15 | H8 | 37.7° | 36.3° |
| FE1 | C19 | C20 | H9 | 109.3° | 119.6° |
| C19 | FE1 | C21 | H10 | 159.9° | 159.9° |
| C19 | FE1 | C22 | H11 | 156.9° | 159.4° |
| FE1 | C19 | C23 | H12 | 99.3° | 118.9° |
| C20 | FE1 | C21 | C22 | 115.1° | 117.5° |
| C20 | FE1 | C21 | C23 | 79.4° | 80.5° |
| FE1 | C20 | C21 | H9 | 105.9° | 120.3° |
| C20 | FE1 | C22 | C23 | 78.3° | 81.6° |
| C20 | FE1 | C14 | H14 | 45.3° | 37.1° |
| C20 | FE1 | C18 | H3 | 77.8° | 7.7° |
| C20 | FE1 | C17 | H6 | 69.0° | 39.3° |
| C20 | FE1 | C16 | H7 | 35.3° | 17.8° |
| C20 | FE1 | C15 | H8 | 5.7° | 13.6° |
| FE1 | C20 | C21 | H10 | 104.2° | 119.2° |
| C20 | FE1 | C22 | H11 | 159.8° | 157.2° |
| C20 | FE1 | C23 | H12 | 157.7° | 157.6° |
| C21 | FE1 | C19 | C12 | 157.5° | 155.5° |
| FE1 | C21 | C22 | H10 | 109.7° | 118.3° |
| C21 | FE1 | C22 | C23 | 118.4° | 118.8° |
| C21 | FE1 | C14 | H14 | 63.2° | 60.4° |
| C21 | FE1 | C18 | H3 | 60.2° | 122.2° |
| C21 | FE1 | C17 | H6 | 27.8° | 111.1° |
| C21 | FE1 | C16 | H7 | 11.3° | 53.6° |
| C21 | FE1 | C15 | H8 | 47.5° | 4.1° |
| FE1 | C21 | C22 | H11 | 99.0° | 123.4° |
| C21 | FE1 | C23 | H12 | 157.1° | 160.3° |
| C2 | C3 | C4 | S7 | 172.7° | 179.9° |
| C2 | C3 | C4 | C5 | 4.0° | 0.2° |
| C2 | C3 | S7 | O8 | 55.2° | 176.8° |
| C2 | C3 | S7 | O9 | 64.9° | 53.7° |
| C2 | C3 | S7 | N10 | 172.0° | 61.2° |
| C3 | C2 | C1 | H1 | 176.9° | 178.8° |
| C2 | C3 | C4 | H4 | 176.0° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 179.8° |
| C3 | C4 | C5 | C6 | 1.1° | 1.2° |
| C4 | C3 | S7 | O8 | 117.7° | 3.3° |
| C4 | C3 | S7 | O9 | 122.2° | 126.2° |
| C4 | C3 | S7 | N10 | 0.9° | 118.9° |
| C4 | C3 | C2 | H2 | 174.9° | 179.9° |
| C3 | C4 | C5 | H5 | 178.9° | 180.0° |
| S7 | C3 | C4 | C5 | 176.7° | 179.9° |
| C3 | S7 | O8 | O9 | 119.6° | 122.6° |
| C3 | S7 | O8 | N10 | 115.1° | 116.4° |
| C3 | S7 | O9 | N10 | 122.7° | 115.7° |
| S7 | C3 | C2 | H2 | 1.8° | 0.0° |
| S7 | C3 | C4 | H4 | 3.3° | 0.1° |
| C3 | S7 | N10 | HN10 | 180.0° | 56.8° |
| C3 | S7 | N10 | HN1A | 60.0° | 78.5° |
| C4 | C5 | C6 | H5 | 180.0° | 178.9° |
| C4 | C5 | C6 | N11 | 179.1° | 178.8° |
| C5 | C6 | N11 | C12 | 58.6° | 154.0° |
| C5 | C6 | N11 | N15 | 119.3° | 32.2° |
| C5 | C6 | C1 | H1 | 179.8° | 179.8° |
| C6 | C5 | C4 | H4 | 178.9° | 179.0° |
| C6 | N11 | C12 | N15 | 178.2° | 174.3° |
| C6 | N11 | C12 | C13 | 179.0° | 177.6° |
| C6 | N11 | C12 | C19 | 1.7° | 6.5° |
| C6 | N11 | N15 | N14 | 178.9° | 178.3° |
| N11 | C6 | C1 | H1 | 1.8° | 4.0° |
| N11 | C6 | C5 | H5 | 0.9° | 2.3° |
| O8 | S7 | O9 | N10 | 126.0° | 121.0° |
| O8 | S7 | N10 | HN10 | 71.7° | 59.9° |
| O8 | S7 | N10 | HN1A | 48.3° | 164.7° |
| O9 | S7 | N10 | HN10 | 55.4° | 171.8° |
| O9 | S7 | N10 | HN1A | 175.4° | 36.4° |
| S7 | N10 | HN10 | HN1A | 120.0° | 134.0° |
| N11 | C12 | C13 | C19 | 179.3° | 176.4° |
| N11 | C12 | C13 | N14 | 0.7° | 2.3° |
| C12 | N11 | N15 | N14 | 0.6° | 3.1° |
| N11 | C12 | C19 | C20 | 43.6° | 105.0° |
| N11 | C12 | C19 | C23 | 134.7° | 102.1° |
| N11 | C12 | C13 | H13 | 179.3° | 178.4° |
| N15 | N11 | C12 | C13 | 0.8° | 3.3° |
| N15 | N11 | C12 | C19 | 179.9° | 179.2° |
| N11 | N15 | N14 | C13 | 0.2° | 1.6° |
| C12 | C13 | N14 | H13 | 180.0° | 179.3° |
| C12 | C13 | N14 | N15 | 0.4° | 0.4° |
| C13 | C12 | C19 | C20 | 135.6° | 79.6° |
| C13 | C12 | C19 | C23 | 46.1° | 73.3° |
| C19 | C12 | C13 | N14 | 180.0° | 178.8° |
| C12 | C19 | C20 | C23 | 178.6° | 155.1° |
| C12 | C19 | C20 | C21 | 179.3° | 155.3° |
| C12 | C19 | C23 | C22 | 179.4° | 154.2° |
| C12 | C19 | FE1 | C22 | 160.0° | 159.0° |
| C19 | C12 | C13 | H13 | 0.0° | 1.9° |
| C12 | C19 | C20 | H9 | 6.9° | 24.7° |
| C12 | C19 | C23 | H12 | 24.2° | 25.9° |
| C15 | C14 | C18 | H14 | 163.7° | 179.9° |
| C14 | C15 | C16 | H8 | 168.3° | 179.8° |
| C14 | C15 | C16 | C17 | 0.3° | 1.0° |
| C15 | C14 | C18 | C17 | 0.2° | 1.1° |
| C15 | C14 | C18 | H3 | 162.9° | 179.2° |
| C14 | C15 | C16 | H7 | 169.9° | 179.4° |
| C18 | C14 | C15 | C16 | 0.3° | 0.0° |
| C14 | C18 | C17 | C16 | 0.0° | 1.7° |
| C14 | C18 | C17 | H3 | 163.1° | 178.1° |
| C14 | C18 | C17 | H6 | 166.8° | 179.1° |
| C18 | C14 | C15 | H8 | 168.0° | 179.8° |
| N15 | N14 | C13 | H13 | 179.6° | 179.8° |
| C15 | C16 | C17 | H7 | 169.5° | 178.4° |
| C15 | C16 | C17 | C18 | 0.2° | 1.7° |
| C16 | C15 | C14 | H14 | 164.1° | 179.9° |
| C15 | C16 | C17 | H6 | 166.6° | 179.1° |
| C16 | C17 | C18 | H6 | 166.8° | 177.3° |
| C16 | C17 | C18 | H3 | 163.2° | 179.9° |
| C17 | C16 | C15 | H8 | 168.0° | 179.2° |
| C17 | C18 | C14 | H14 | 163.9° | 178.9° |
| C18 | C17 | C16 | H7 | 169.8° | 179.9° |
| C19 | C20 | C21 | H9 | 173.8° | 180.0° |
| C19 | C20 | C21 | C22 | 0.3° | 0.9° |
| C20 | C19 | C23 | C22 | 0.8° | 0.7° |
| C19 | C20 | C21 | H10 | 172.2° | 179.0° |
| C20 | C19 | C23 | H12 | 157.3° | 179.2° |
| C23 | C19 | C20 | C21 | 0.7° | 0.1° |
| C19 | C23 | C22 | C21 | 0.6° | 1.3° |
| C19 | C23 | C22 | H12 | 156.4° | 180.0° |
| C23 | C19 | C20 | H9 | 174.5° | 179.8° |
| C19 | C23 | C22 | H11 | 161.4° | 175.1° |
| C20 | C21 | C22 | H10 | 172.5° | 179.9° |
| C20 | C21 | C22 | C23 | 0.2° | 1.4° |
| C20 | C21 | C22 | H11 | 161.9° | 175.0° |
| C21 | C22 | C23 | H11 | 162.0° | 176.4° |
| C22 | C21 | C20 | H9 | 174.1° | 179.0° |
| C21 | C22 | C23 | H12 | 157.1° | 178.7° |
| C23 | C22 | FE1 | H11 | 122.0° | 121.2° |
| C22 | C23 | FE1 | H12 | 119.5° | 121.8° |
| C23 | C22 | C21 | H10 | 172.7° | 178.5° |
| C22 | FE1 | C14 | H14 | 64.1° | 34.5° |
| C22 | FE1 | C18 | H3 | 27.1° | 94.0° |
| C22 | FE1 | C17 | H6 | 15.3° | 178.2° |
| C22 | FE1 | C16 | H7 | 53.7° | 95.8° |
| C22 | FE1 | C15 | H8 | 86.7° | 36.3° |
| C22 | FE1 | C20 | H9 | 159.8° | 160.7° |
| C23 | FE1 | C14 | H14 | 32.5° | 4.3° |
| C23 | FE1 | C18 | H3 | 12.2° | 53.6° |
| C23 | FE1 | C17 | H6 | 54.6° | 111.0° |
| C23 | FE1 | C16 | H7 | 103.5° | 123.5° |
| C23 | FE1 | C15 | H8 | 72.4° | 60.8° |
| C23 | FE1 | C20 | H9 | 159.7° | 156.2° |
| C23 | FE1 | C21 | H10 | 159.4° | 157.9° |
| H1 | C1 | C2 | H2 | 3.2° | 1.7° |
| H4 | C4 | C5 | H5 | 1.0° | 0.1° |
| H14 | C14 | C18 | H3 | 0.8° | 0.8° |
| H14 | C14 | C15 | H8 | 4.3° | 0.3° |
| H3 | C18 | C17 | H6 | 3.7° | 2.8° |
| H6 | C17 | C16 | H7 | 2.9° | 2.6° |
| H7 | C16 | C15 | H8 | 1.5° | 0.8° |
| H9 | C20 | C21 | H10 | 1.6° | 1.0° |
| H10 | C21 | C22 | H11 | 10.7° | 5.0° |
| H11 | C22 | C23 | H12 | 5.0° | 4.9° |
