B9F
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O12 | C11 | sing | 1.41Å | 1.41Å | |
| C11 | C17 | sing | 1.50Å | 1.50Å | |
| C11 | C10 | sing | 1.50Å | 1.50Å | |
| C17 | C16 | sing | 1.43Å | 1.43Å | |
| C17 | C18 | sing | 1.42Å | 1.42Å | |
| C17 | FE1 | sing | 2.04Å | 2.04Å | |
| C16 | C15 | sing | 1.41Å | 1.41Å | |
| C16 | FE1 | sing | 2.04Å | 2.04Å | |
| C15 | C14 | sing | 1.40Å | 1.40Å | |
| C15 | FE1 | sing | 2.04Å | 2.04Å | |
| C14 | C18 | sing | 1.41Å | 1.41Å | |
| C14 | FE1 | sing | 2.04Å | 2.04Å | |
| C18 | FE1 | sing | 2.03Å | 2.03Å | |
| C10 | C9 | sing | 1.50Å | 1.50Å | |
| C9 | C8 | sing | 1.51Å | 1.51Å | |
| C8 | C7 | sing | 1.51Å | 1.51Å | |
| C7 | C2 | sing | 1.50Å | 1.50Å | |
| C2 | C4 | sing | 1.51Å | 1.51Å | |
| C2 | S1 | sing | 1.82Å | 1.82Å | |
| C4 | N2 | sing | 1.42Å | 1.42Å | |
| C4 | C5 | sing | 1.56Å | 1.56Å | |
| N2 | C3 | sing | 1.34Å | 1.34Å | |
| C3 | O3 | doub | 1.17Å | 1.17Å | |
| C3 | N1 | sing | 1.34Å | 1.34Å | |
| S1 | C6 | sing | 1.81Å | 1.81Å | |
| C6 | C5 | sing | 1.50Å | 1.50Å | |
| C5 | N1 | sing | 1.44Å | 1.44Å | |
| C19 | C20 | sing | 1.42Å | 1.42Å | |
| C19 | C23 | sing | 1.41Å | 1.41Å | |
| C19 | FE1 | sing | 2.03Å | 2.03Å | |
| C20 | C21 | sing | 1.42Å | 1.42Å | |
| C20 | FE1 | sing | 2.02Å | 2.02Å | |
| C21 | C22 | sing | 1.41Å | 1.41Å | |
| C21 | FE1 | sing | 2.03Å | 2.03Å | |
| C22 | C23 | sing | 1.41Å | 1.41Å | |
| C22 | FE1 | sing | 2.03Å | 2.03Å | |
| C23 | FE1 | sing | 2.04Å | 2.04Å | |
| O12 | H1 | sing | 0.95Å | 0.95Å | |
| C11 | H2 | sing | 1.10Å | 1.10Å | |
| C16 | H3 | sing | 1.10Å | 1.10Å | |
| C15 | H4 | sing | 1.10Å | 1.10Å | |
| C14 | H5 | sing | 1.10Å | 1.10Å | |
| C18 | H6 | sing | 1.10Å | 1.10Å | |
| C10 | H7 | sing | 1.10Å | 1.10Å | |
| C10 | H8 | sing | 1.10Å | 1.10Å | |
| C9 | H9 | sing | 1.10Å | 1.10Å | |
| C9 | H10 | sing | 1.10Å | 1.10Å | |
| C8 | H11 | sing | 1.10Å | 1.10Å | |
| C8 | H12 | sing | 1.10Å | 1.10Å | |
| C7 | H13 | sing | 1.10Å | 1.10Å | |
| C7 | H14 | sing | 1.10Å | 1.10Å | |
| C2 | H15 | sing | 1.10Å | 1.10Å | |
| C4 | H16 | sing | 1.10Å | 1.10Å | |
| N2 | H17 | sing | 1.00Å | 1.00Å | |
| C6 | H18 | sing | 1.10Å | 1.10Å | |
| C6 | H19 | sing | 1.10Å | 1.10Å | |
| C5 | H20 | sing | 1.10Å | 1.10Å | |
| N1 | H21 | sing | 1.00Å | 1.00Å | |
| C19 | H22 | sing | 1.10Å | 1.10Å | |
| C20 | H23 | sing | 1.10Å | 1.10Å | |
| C21 | H24 | sing | 1.10Å | 1.10Å | |
| C22 | H25 | sing | 1.10Å | 1.10Å | |
| C23 | H26 | sing | 1.10Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O12 | C11 | C17 | 110.2° | 110.2° |
| O12 | C11 | C10 | 109.7° | 109.7° |
| C11 | O12 | H1 | 109.5° | 109.5° |
| O12 | C11 | H2 | 108.1° | 108.1° |
| C17 | C11 | C10 | 114.6° | 114.6° |
| C11 | C17 | C16 | 126.6° | 126.6° |
| C11 | C17 | C18 | 126.6° | 126.6° |
| C11 | C17 | FE1 | 126.2° | 126.2° |
| C17 | C11 | H2 | 107.0° | 107.0° |
| C11 | C10 | C9 | 113.7° | 113.7° |
| C10 | C11 | H2 | 107.0° | 107.0° |
| C11 | C10 | H7 | 108.4° | 108.4° |
| C11 | C10 | H8 | 108.4° | 108.4° |
| C16 | C17 | C18 | 106.8° | 106.8° |
| C16 | C17 | FE1 | 69.6° | 69.6° |
| C17 | C16 | C15 | 108.1° | 108.1° |
| C17 | C16 | FE1 | 69.5° | 69.5° |
| C17 | C16 | H3 | 124.7° | 124.7° |
| C18 | C17 | FE1 | 69.2° | 69.2° |
| C17 | C18 | C14 | 108.4° | 108.4° |
| C17 | C18 | FE1 | 70.0° | 70.0° |
| C17 | C18 | H6 | 124.6° | 124.6° |
| C17 | FE1 | C16 | 40.9° | 40.9° |
| C17 | FE1 | C15 | 68.6° | 68.6° |
| C17 | FE1 | C14 | 68.4° | 68.4° |
| C17 | FE1 | C18 | 40.8° | 40.8° |
| C17 | FE1 | C19 | 115.5° | 115.5° |
| C17 | FE1 | C20 | 147.1° | 147.1° |
| C17 | FE1 | C21 | 171.4° | 171.4° |
| C17 | FE1 | C22 | 132.7° | 132.7° |
| C17 | FE1 | C23 | 109.9° | 109.9° |
| C15 | C16 | FE1 | 69.7° | 69.7° |
| C16 | C15 | C14 | 108.1° | 108.1° |
| C16 | C15 | FE1 | 69.7° | 69.7° |
| C15 | C16 | H3 | 125.1° | 125.1° |
| C16 | C15 | H4 | 124.7° | 124.7° |
| C16 | FE1 | C15 | 40.5° | 40.5° |
| C16 | FE1 | C14 | 67.9° | 67.9° |
| C16 | FE1 | C18 | 68.3° | 68.3° |
| C16 | FE1 | C19 | 143.3° | 143.3° |
| C16 | FE1 | C20 | 172.0° | 172.0° |
| C16 | FE1 | C21 | 131.0° | 131.0° |
| C16 | FE1 | C22 | 105.6° | 105.6° |
| C16 | FE1 | C23 | 111.3° | 111.3° |
| FE1 | C16 | H3 | 113.5° | 113.5° |
| C14 | C15 | FE1 | 69.6° | 69.6° |
| C15 | C14 | C18 | 108.6° | 108.6° |
| C15 | C14 | FE1 | 70.2° | 70.2° |
| C14 | C15 | H4 | 125.1° | 125.1° |
| C15 | C14 | H5 | 124.7° | 124.7° |
| C15 | FE1 | C14 | 40.2° | 40.2° |
| C15 | FE1 | C18 | 68.0° | 68.0° |
| C15 | FE1 | C19 | 175.8° | 175.8° |
| C15 | FE1 | C20 | 135.0° | 135.0° |
| C15 | FE1 | C21 | 106.9° | 106.9° |
| C15 | FE1 | C22 | 109.4° | 109.4° |
| C15 | FE1 | C23 | 140.1° | 140.1° |
| FE1 | C15 | H4 | 113.2° | 113.2° |
| C18 | C14 | FE1 | 69.6° | 69.6° |
| C14 | C18 | FE1 | 69.9° | 69.9° |
| C18 | C14 | H5 | 124.6° | 124.6° |
| C14 | C18 | H6 | 125.0° | 125.0° |
| C14 | FE1 | C18 | 40.4° | 40.4° |
| C14 | FE1 | C19 | 139.2° | 139.2° |
| C14 | FE1 | C20 | 112.8° | 112.8° |
| C14 | FE1 | C21 | 113.3° | 113.3° |
| C14 | FE1 | C22 | 140.9° | 140.9° |
| C14 | FE1 | C23 | 178.2° | 178.2° |
| FE1 | C14 | H5 | 113.1° | 113.1° |
| C18 | FE1 | C19 | 114.1° | 114.1° |
| C18 | FE1 | C20 | 117.8° | 117.8° |
| C18 | FE1 | C21 | 145.5° | 145.5° |
| C18 | FE1 | C22 | 173.3° | 173.3° |
| C18 | FE1 | C23 | 137.9° | 137.9° |
| FE1 | C18 | H6 | 113.4° | 113.4° |
| C10 | C9 | C8 | 113.5° | 113.5° |
| C9 | C10 | H7 | 108.4° | 108.4° |
| C9 | C10 | H8 | 108.4° | 108.4° |
| C10 | C9 | H9 | 108.5° | 108.5° |
| C10 | C9 | H10 | 108.5° | 108.4° |
| C9 | C8 | C7 | 114.1° | 114.1° |
| C8 | C9 | H9 | 108.4° | 108.4° |
| C8 | C9 | H10 | 108.5° | 108.4° |
| C9 | C8 | H11 | 108.3° | 108.3° |
| C9 | C8 | H12 | 108.3° | 108.3° |
| C8 | C7 | C2 | 113.6° | 113.6° |
| C7 | C8 | H11 | 108.3° | 108.3° |
| C7 | C8 | H12 | 108.3° | 108.3° |
| C8 | C7 | H13 | 108.4° | 108.4° |
| C8 | C7 | H14 | 108.4° | 108.4° |
| C7 | C2 | C4 | 112.1° | 112.1° |
| C7 | C2 | S1 | 112.1° | 112.1° |
| C2 | C7 | H13 | 108.5° | 108.5° |
| C2 | C7 | H14 | 108.4° | 108.4° |
| C7 | C2 | H15 | 110.5° | 110.5° |
| C4 | C2 | S1 | 104.5° | 104.5° |
| C2 | C4 | N2 | 113.0° | 113.0° |
| C2 | C4 | C5 | 110.1° | 110.1° |
| C4 | C2 | H15 | 110.5° | 110.5° |
| C2 | C4 | H16 | 109.9° | 109.9° |
| C2 | S1 | C6 | 89.6° | 89.6° |
| S1 | C2 | H15 | 106.8° | 106.8° |
| N2 | C4 | C5 | 103.3° | 103.3° |
| C4 | N2 | C3 | 112.7° | 112.7° |
| N2 | C4 | H16 | 111.2° | 111.2° |
| C4 | N2 | H17 | 123.7° | 123.6° |
| C4 | C5 | C6 | 108.4° | 108.4° |
| C4 | C5 | N1 | 102.2° | 102.2° |
| C5 | C4 | H16 | 109.2° | 109.2° |
| C4 | C5 | H20 | 110.1° | 110.1° |
| N2 | C3 | O3 | 125.8° | 125.8° |
| N2 | C3 | N1 | 109.1° | 109.1° |
| C3 | N2 | H17 | 123.6° | 123.7° |
| O3 | C3 | N1 | 125.1° | 125.1° |
| C3 | N1 | C5 | 112.5° | 112.5° |
| C3 | N1 | H21 | 123.7° | 123.7° |
| S1 | C6 | C5 | 105.9° | 105.9° |
| S1 | C6 | H18 | 110.3° | 110.4° |
| S1 | C6 | H19 | 110.4° | 110.4° |
| C6 | C5 | N1 | 112.9° | 112.9° |
| C5 | C6 | H18 | 110.3° | 110.4° |
| C5 | C6 | H19 | 110.4° | 110.4° |
| C6 | C5 | H20 | 110.9° | 110.9° |
| N1 | C5 | H20 | 111.8° | 111.8° |
| C5 | N1 | H21 | 123.8° | 123.8° |
| C20 | C19 | C23 | 107.0° | 107.0° |
| C20 | C19 | FE1 | 69.1° | 69.1° |
| C19 | C20 | C21 | 108.9° | 108.9° |
| C19 | C20 | FE1 | 70.0° | 70.0° |
| C20 | C19 | H22 | 125.5° | 125.5° |
| C19 | C20 | H23 | 124.6° | 124.6° |
| C23 | C19 | FE1 | 69.9° | 69.9° |
| C19 | C23 | C22 | 108.8° | 108.8° |
| C19 | C23 | FE1 | 69.5° | 69.5° |
| C23 | C19 | H22 | 125.6° | 125.6° |
| C19 | C23 | H26 | 124.5° | 124.5° |
| C19 | FE1 | C20 | 40.9° | 40.9° |
| C19 | FE1 | C21 | 69.2° | 69.2° |
| C19 | FE1 | C22 | 68.9° | 68.9° |
| C19 | FE1 | C23 | 40.7° | 40.7° |
| FE1 | C19 | H22 | 113.9° | 113.9° |
| C21 | C20 | FE1 | 69.9° | 69.9° |
| C20 | C21 | C22 | 107.4° | 107.4° |
| C20 | C21 | FE1 | 69.1° | 69.1° |
| C21 | C20 | H23 | 124.5° | 124.5° |
| C20 | C21 | H24 | 125.3° | 125.3° |
| C20 | FE1 | C21 | 41.0° | 41.0° |
| C20 | FE1 | C22 | 68.5° | 68.5° |
| C20 | FE1 | C23 | 68.2° | 68.2° |
| FE1 | C20 | H23 | 113.5° | 113.5° |
| C22 | C21 | FE1 | 69.9° | 69.9° |
| C21 | C22 | C23 | 107.9° | 107.9° |
| C21 | C22 | FE1 | 69.4° | 69.4° |
| C22 | C21 | H24 | 125.3° | 125.3° |
| C21 | C22 | H25 | 125.0° | 125.0° |
| C21 | FE1 | C22 | 40.7° | 40.7° |
| C21 | FE1 | C23 | 68.5° | 68.5° |
| FE1 | C21 | H24 | 113.8° | 113.8° |
| C23 | C22 | FE1 | 69.7° | 69.7° |
| C22 | C23 | FE1 | 69.6° | 69.6° |
| C23 | C22 | H25 | 125.0° | 125.0° |
| C22 | C23 | H26 | 124.4° | 124.4° |
| C22 | FE1 | C23 | 40.7° | 40.7° |
| FE1 | C22 | H25 | 113.5° | 113.5° |
| FE1 | C23 | H26 | 113.2° | 113.1° |
| H7 | C10 | H8 | 109.4° | 109.4° |
| H9 | C9 | H10 | 109.4° | 109.5° |
| H11 | C8 | H12 | 109.4° | 109.4° |
| H13 | C7 | H14 | 109.5° | 109.5° |
| H18 | C6 | H19 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O12 | C11 | C17 | C10 | 124.3° | 124.3° |
| O12 | C11 | C17 | H2 | 117.3° | 117.3° |
| O12 | C11 | C10 | H2 | 117.0° | 117.0° |
| O12 | C11 | C17 | C16 | 100.1° | 100.1° |
| O12 | C11 | C17 | C18 | 79.9° | 79.9° |
| O12 | C11 | C17 | FE1 | 9.9° | 9.9° |
| O12 | C11 | C10 | C9 | 68.9° | 68.9° |
| O12 | C11 | C10 | H7 | 170.5° | 170.5° |
| O12 | C11 | C10 | H8 | 51.8° | 51.8° |
| C17 | C11 | C10 | H2 | 118.4° | 118.4° |
| C11 | C17 | C16 | C18 | 179.9° | 179.9° |
| C11 | C17 | C16 | FE1 | 120.5° | 120.5° |
| C11 | C17 | C18 | FE1 | 120.3° | 120.3° |
| C11 | C17 | C16 | C15 | 179.8° | 179.8° |
| C11 | C17 | FE1 | C15 | 158.4° | 158.4° |
| C11 | C17 | C18 | C14 | 179.9° | 179.9° |
| C11 | C17 | FE1 | C14 | 158.2° | 158.2° |
| C17 | C11 | C10 | C9 | 55.7° | 55.7° |
| C11 | C17 | FE1 | C19 | 22.7° | 22.7° |
| C11 | C17 | FE1 | C20 | 59.3° | 59.3° |
| C11 | C17 | FE1 | C21 | 98.8° | 98.8° |
| C11 | C17 | FE1 | C22 | 61.4° | 61.4° |
| C11 | C17 | FE1 | C23 | 21.1° | 21.1° |
| C17 | C11 | O12 | H1 | 180.0° | 180.0° |
| C11 | C17 | C16 | H3 | 15.5° | 15.5° |
| C11 | C17 | C18 | H6 | 15.1° | 15.1° |
| C17 | C11 | C10 | H7 | 64.9° | 64.9° |
| C17 | C11 | C10 | H8 | 176.4° | 176.4° |
| C10 | C11 | C17 | C16 | 135.6° | 135.6° |
| C10 | C11 | C17 | C18 | 44.5° | 44.5° |
| C10 | C11 | C17 | FE1 | 134.2° | 134.2° |
| C11 | C10 | C9 | H7 | 120.6° | 120.6° |
| C11 | C10 | C9 | H8 | 120.6° | 120.6° |
| C11 | C10 | C9 | C8 | 159.5° | 159.5° |
| C10 | C11 | O12 | H1 | 52.9° | 52.9° |
| C11 | C10 | H7 | H8 | 118.1° | 118.1° |
| C11 | C10 | C9 | H9 | 38.9° | 38.9° |
| C11 | C10 | C9 | H10 | 79.9° | 79.9° |
| C16 | C17 | C18 | FE1 | 59.7° | 59.7° |
| C17 | C16 | C15 | FE1 | 59.2° | 59.2° |
| C17 | C16 | C15 | H3 | 164.2° | 164.2° |
| C17 | C16 | FE1 | H3 | 120.0° | 120.0° |
| C17 | C16 | C15 | C14 | 0.2° | 0.2° |
| C16 | C17 | C18 | C14 | 0.1° | 0.1° |
| C17 | C16 | FE1 | C14 | 82.1° | 82.1° |
| C17 | C16 | FE1 | C19 | 63.3° | 63.3° |
| C17 | C16 | FE1 | C20 | 179.0° | 179.0° |
| C17 | C16 | FE1 | C21 | 175.7° | 175.7° |
| C17 | C16 | FE1 | C22 | 138.8° | 138.8° |
| C17 | C16 | FE1 | C23 | 96.2° | 96.2° |
| C16 | C17 | C11 | H2 | 17.2° | 17.2° |
| C17 | C16 | C15 | H4 | 164.0° | 164.0° |
| C16 | C17 | C18 | H6 | 164.8° | 164.8° |
| C18 | C17 | C16 | C15 | 0.1° | 0.1° |
| C17 | C18 | C14 | C15 | 0.0° | 0.0° |
| C17 | C18 | FE1 | C15 | 82.2° | 82.2° |
| C17 | C18 | C14 | FE1 | 59.6° | 59.6° |
| C17 | C18 | C14 | H6 | 164.7° | 164.7° |
| C17 | C18 | FE1 | H6 | 120.0° | 120.0° |
| C17 | C18 | FE1 | C19 | 101.7° | 101.7° |
| C17 | C18 | FE1 | C20 | 147.3° | 147.3° |
| C17 | C18 | FE1 | C21 | 170.3° | 170.3° |
| C17 | C18 | FE1 | C22 | 14.0° | 14.0° |
| C17 | C18 | FE1 | C23 | 59.7° | 59.7° |
| C18 | C17 | C11 | H2 | 162.8° | 162.8° |
| C18 | C17 | C16 | H3 | 164.4° | 164.4° |
| C17 | C18 | C14 | H5 | 164.2° | 164.2° |
| C17 | FE1 | C14 | C15 | 81.9° | 81.9° |
| C17 | FE1 | C15 | C19 | 165.3° | 165.3° |
| C17 | FE1 | C15 | C20 | 152.0° | 152.0° |
| C17 | FE1 | C15 | C21 | 172.2° | 172.2° |
| C17 | FE1 | C15 | C22 | 129.3° | 129.3° |
| C17 | FE1 | C15 | C23 | 95.7° | 95.7° |
| C17 | FE1 | C14 | C19 | 104.5° | 104.5° |
| C17 | FE1 | C14 | C20 | 144.4° | 144.4° |
| C17 | FE1 | C14 | C21 | 170.8° | 170.8° |
| C17 | FE1 | C14 | C22 | 132.0° | 132.0° |
| C17 | FE1 | C14 | C23 | 19.0° | 19.0° |
| C17 | FE1 | C20 | C19 | 55.1° | 55.1° |
| C17 | FE1 | C23 | C19 | 106.4° | 106.4° |
| C17 | FE1 | C19 | C21 | 172.1° | 172.1° |
| C17 | FE1 | C19 | C22 | 128.4° | 128.4° |
| C17 | FE1 | C21 | C20 | 162.0° | 162.0° |
| C17 | FE1 | C20 | C22 | 137.2° | 137.2° |
| C17 | FE1 | C20 | C23 | 93.3° | 93.3° |
| C17 | FE1 | C22 | C21 | 172.0° | 172.0° |
| C17 | FE1 | C21 | C23 | 80.9° | 80.9° |
| C17 | FE1 | C23 | C22 | 133.2° | 133.2° |
| FE1 | C17 | C11 | H2 | 107.4° | 107.4° |
| C17 | FE1 | C15 | H4 | 157.9° | 157.9° |
| C17 | FE1 | C14 | H5 | 157.8° | 157.8° |
| C17 | FE1 | C19 | H22 | 29.8° | 29.8° |
| C17 | FE1 | C20 | H23 | 65.0° | 65.0° |
| C17 | FE1 | C21 | H24 | 77.5° | 77.5° |
| C17 | FE1 | C22 | H25 | 51.7° | 51.7° |
| C17 | FE1 | C23 | H26 | 13.5° | 13.4° |
| C15 | C16 | FE1 | H3 | 120.5° | 120.5° |
| C16 | C15 | C14 | FE1 | 59.4° | 59.4° |
| C16 | C15 | C14 | H4 | 164.1° | 164.1° |
| C16 | C15 | FE1 | H4 | 120.1° | 120.1° |
| C16 | C15 | C14 | C18 | 0.1° | 0.1° |
| C16 | C15 | FE1 | C18 | 81.9° | 81.9° |
| C16 | C15 | FE1 | C19 | 156.9° | 156.9° |
| C16 | C15 | FE1 | C20 | 170.2° | 170.2° |
| C16 | C15 | FE1 | C21 | 134.4° | 134.4° |
| C16 | C15 | FE1 | C22 | 91.5° | 91.5° |
| C16 | C15 | FE1 | C23 | 57.9° | 57.9° |
| C16 | C15 | C14 | H5 | 164.3° | 164.3° |
| C16 | FE1 | C18 | C14 | 81.0° | 81.0° |
| C16 | FE1 | C14 | C19 | 148.7° | 148.7° |
| C16 | FE1 | C14 | C20 | 171.4° | 171.4° |
| C16 | FE1 | C14 | C21 | 126.6° | 126.6° |
| C16 | FE1 | C14 | C22 | 87.8° | 87.8° |
| C16 | FE1 | C14 | C23 | 63.2° | 63.2° |
| C16 | FE1 | C18 | C19 | 140.1° | 140.1° |
| C16 | FE1 | C18 | C20 | 174.3° | 174.3° |
| C16 | FE1 | C18 | C21 | 131.9° | 131.9° |
| C16 | FE1 | C18 | C22 | 24.5° | 24.5° |
| C16 | FE1 | C18 | C23 | 98.1° | 98.1° |
| C16 | FE1 | C20 | C19 | 126.2° | 126.2° |
| C16 | FE1 | C23 | C19 | 150.2° | 150.2° |
| C16 | FE1 | C19 | C21 | 131.7° | 131.7° |
| C16 | FE1 | C19 | C22 | 88.0° | 88.0° |
| C16 | FE1 | C21 | C20 | 178.9° | 178.9° |
| C16 | FE1 | C20 | C22 | 44.1° | 44.1° |
| C16 | FE1 | C20 | C23 | 88.0° | 88.0° |
| C16 | FE1 | C22 | C21 | 136.0° | 136.0° |
| C16 | FE1 | C21 | C23 | 100.0° | 100.0° |
| C16 | FE1 | C23 | C22 | 89.4° | 89.4° |
| C16 | FE1 | C14 | H5 | 158.0° | 158.0° |
| C16 | FE1 | C18 | H6 | 158.5° | 158.5° |
| C16 | FE1 | C19 | H22 | 70.2° | 70.2° |
| C16 | FE1 | C20 | H23 | 113.8° | 113.8° |
| C16 | FE1 | C21 | H24 | 58.4° | 58.4° |
| C16 | FE1 | C22 | H25 | 15.7° | 15.7° |
| C16 | FE1 | C23 | H26 | 30.3° | 30.4° |
| C14 | C15 | FE1 | H4 | 120.6° | 120.6° |
| C15 | C14 | C18 | FE1 | 59.6° | 59.6° |
| C15 | C14 | C18 | H5 | 164.2° | 164.2° |
| C15 | C14 | FE1 | H5 | 120.3° | 120.3° |
| C15 | C14 | FE1 | C19 | 173.6° | 173.6° |
| C15 | C14 | FE1 | C20 | 133.7° | 133.7° |
| C15 | C14 | FE1 | C21 | 88.9° | 88.9° |
| C15 | C14 | FE1 | C22 | 50.1° | 50.1° |
| C15 | C14 | FE1 | C23 | 100.9° | 100.9° |
| C14 | C15 | C16 | H3 | 164.3° | 164.3° |
| C15 | C14 | C18 | H6 | 164.7° | 164.7° |
| C15 | FE1 | C18 | C19 | 176.1° | 176.1° |
| C15 | FE1 | C18 | C20 | 130.4° | 130.4° |
| C15 | FE1 | C18 | C21 | 88.0° | 88.0° |
| C15 | FE1 | C18 | C22 | 68.3° | 68.3° |
| C15 | FE1 | C18 | C23 | 141.9° | 141.9° |
| C15 | FE1 | C20 | C19 | 178.5° | 178.5° |
| C15 | FE1 | C23 | C19 | 173.6° | 173.6° |
| C15 | FE1 | C19 | C21 | 23.0° | 23.0° |
| C15 | FE1 | C19 | C22 | 66.8° | 66.8° |
| C15 | FE1 | C21 | C20 | 140.9° | 140.9° |
| C15 | FE1 | C20 | C22 | 96.4° | 96.4° |
| C15 | FE1 | C20 | C23 | 140.3° | 140.3° |
| C15 | FE1 | C22 | C21 | 93.6° | 93.6° |
| C15 | FE1 | C21 | C23 | 138.0° | 138.0° |
| C15 | FE1 | C23 | C22 | 53.2° | 53.2° |
| C15 | FE1 | C18 | H6 | 157.7° | 157.7° |
| C15 | FE1 | C19 | H22 | 135.1° | 135.1° |
| C15 | FE1 | C20 | H23 | 61.4° | 61.4° |
| C15 | FE1 | C21 | H24 | 20.4° | 20.4° |
| C15 | FE1 | C22 | H25 | 26.7° | 26.7° |
| C15 | FE1 | C23 | H26 | 66.5° | 66.6° |
| C18 | C14 | FE1 | H5 | 120.0° | 120.0° |
| C14 | C18 | FE1 | H6 | 120.5° | 120.5° |
| C14 | C18 | FE1 | C19 | 138.9° | 138.9° |
| C14 | C18 | FE1 | C20 | 93.2° | 93.2° |
| C14 | C18 | FE1 | C21 | 50.8° | 50.8° |
| C14 | C18 | FE1 | C22 | 105.5° | 105.5° |
| C14 | C18 | FE1 | C23 | 179.1° | 179.1° |
| C18 | C14 | C15 | H4 | 164.0° | 164.0° |
| C14 | FE1 | C20 | C19 | 140.2° | 140.2° |
| C14 | FE1 | C23 | C19 | 87.6° | 87.6° |
| C14 | FE1 | C19 | C21 | 101.9° | 101.9° |
| C14 | FE1 | C19 | C22 | 145.7° | 145.7° |
| C14 | FE1 | C21 | C20 | 98.6° | 98.6° |
| C14 | FE1 | C20 | C22 | 137.7° | 137.7° |
| C14 | FE1 | C20 | C23 | 178.4° | 178.4° |
| C14 | FE1 | C22 | C21 | 62.0° | 62.0° |
| C14 | FE1 | C21 | C23 | 179.7° | 179.7° |
| C14 | FE1 | C23 | C22 | 152.0° | 152.0° |
| C14 | FE1 | C16 | H3 | 157.9° | 157.9° |
| C14 | FE1 | C19 | H22 | 56.1° | 56.1° |
| C14 | FE1 | C20 | H23 | 20.2° | 20.2° |
| C14 | FE1 | C21 | H24 | 21.9° | 21.9° |
| C14 | FE1 | C22 | H25 | 58.3° | 58.3° |
| C14 | FE1 | C23 | H26 | 32.2° | 32.2° |
| C18 | FE1 | C20 | C19 | 95.6° | 95.6° |
| C18 | FE1 | C23 | C19 | 69.5° | 69.5° |
| C18 | FE1 | C19 | C21 | 142.7° | 142.7° |
| C18 | FE1 | C19 | C22 | 173.5° | 173.5° |
| C18 | FE1 | C21 | C20 | 65.4° | 65.4° |
| C18 | FE1 | C20 | C22 | 177.7° | 177.7° |
| C18 | FE1 | C20 | C23 | 133.8° | 133.8° |
| C18 | FE1 | C22 | C21 | 159.6° | 159.6° |
| C18 | FE1 | C21 | C23 | 146.5° | 146.5° |
| C18 | FE1 | C23 | C22 | 170.1° | 170.1° |
| C18 | FE1 | C16 | H3 | 158.4° | 158.4° |
| C18 | FE1 | C15 | H4 | 158.0° | 158.0° |
| C18 | FE1 | C19 | H22 | 15.4° | 15.4° |
| C18 | FE1 | C20 | H23 | 24.4° | 24.4° |
| C18 | FE1 | C21 | H24 | 55.1° | 55.1° |
| C18 | FE1 | C22 | H25 | 39.3° | 39.3° |
| C18 | FE1 | C23 | H26 | 50.3° | 50.3° |
| C10 | C9 | C8 | H9 | 120.6° | 120.6° |
| C10 | C9 | C8 | H10 | 120.6° | 120.6° |
| C10 | C9 | C8 | C7 | 151.7° | 151.7° |
| C9 | C10 | C11 | H2 | 174.1° | 174.1° |
| C9 | C10 | H7 | H8 | 118.1° | 118.1° |
| C10 | C9 | H9 | H10 | 118.2° | 118.2° |
| C10 | C9 | C8 | H11 | 31.0° | 31.0° |
| C10 | C9 | C8 | H12 | 87.6° | 87.6° |
| C9 | C8 | C7 | H11 | 120.7° | 120.7° |
| C9 | C8 | C7 | H12 | 120.7° | 120.7° |
| C9 | C8 | C7 | C2 | 92.1° | 92.1° |
| C8 | C9 | C10 | H7 | 79.8° | 79.8° |
| C8 | C9 | C10 | H8 | 38.9° | 38.9° |
| C8 | C9 | H9 | H10 | 118.2° | 118.1° |
| C9 | C8 | H11 | H12 | 117.9° | 117.9° |
| C9 | C8 | C7 | H13 | 28.5° | 28.5° |
| C9 | C8 | C7 | H14 | 147.3° | 147.3° |
| C8 | C7 | C2 | H13 | 120.6° | 120.6° |
| C8 | C7 | C2 | H14 | 120.6° | 120.6° |
| C8 | C7 | C2 | C4 | 173.9° | 173.9° |
| C8 | C7 | C2 | S1 | 68.9° | 68.9° |
| C7 | C8 | C9 | H9 | 87.7° | 87.7° |
| C7 | C8 | C9 | H10 | 31.1° | 31.1° |
| C7 | C8 | H11 | H12 | 117.9° | 117.9° |
| C8 | C7 | H13 | H14 | 118.1° | 118.1° |
| C8 | C7 | C2 | H15 | 50.2° | 50.2° |
| C7 | C2 | C4 | S1 | 121.7° | 121.7° |
| C7 | C2 | C4 | H15 | 123.7° | 123.7° |
| C7 | C2 | S1 | H15 | 121.3° | 121.3° |
| C7 | C2 | C4 | N2 | 36.3° | 36.3° |
| C7 | C2 | C4 | C5 | 151.2° | 151.2° |
| C7 | C2 | S1 | C6 | 162.5° | 162.5° |
| C2 | C7 | C8 | H11 | 147.2° | 147.2° |
| C2 | C7 | C8 | H12 | 28.6° | 28.6° |
| C2 | C7 | H13 | H14 | 118.1° | 118.1° |
| C7 | C2 | C4 | H16 | 88.5° | 88.5° |
| C4 | C2 | S1 | H15 | 117.1° | 117.1° |
| C2 | C4 | N2 | C5 | 118.9° | 118.9° |
| C2 | C4 | N2 | H16 | 124.1° | 124.1° |
| C2 | C4 | C5 | H16 | 120.8° | 120.8° |
| C2 | C4 | N2 | C3 | 115.4° | 115.4° |
| C4 | C2 | S1 | C6 | 40.9° | 40.9° |
| C2 | C4 | C5 | C6 | 0.1° | 0.1° |
| C2 | C4 | C5 | N1 | 119.6° | 119.6° |
| C4 | C2 | C7 | H13 | 53.2° | 53.2° |
| C4 | C2 | C7 | H14 | 65.5° | 65.5° |
| C2 | C4 | N2 | H17 | 64.5° | 64.5° |
| C2 | C4 | C5 | H20 | 121.5° | 121.5° |
| S1 | C2 | C4 | N2 | 85.4° | 85.4° |
| S1 | C2 | C4 | C5 | 29.5° | 29.5° |
| C2 | S1 | C6 | C5 | 41.6° | 41.6° |
| S1 | C2 | C7 | H13 | 170.5° | 170.5° |
| S1 | C2 | C7 | H14 | 51.7° | 51.7° |
| S1 | C2 | C4 | H16 | 149.9° | 149.9° |
| C2 | S1 | C6 | H18 | 161.0° | 161.0° |
| C2 | S1 | C6 | H19 | 77.9° | 77.9° |
| N2 | C4 | C5 | H16 | 118.4° | 118.4° |
| C4 | N2 | C3 | H17 | 180.0° | 180.0° |
| C4 | N2 | C3 | O3 | 176.7° | 176.7° |
| C4 | N2 | C3 | N1 | 4.4° | 4.4° |
| N2 | C4 | C5 | C6 | 120.8° | 120.8° |
| N2 | C4 | C5 | N1 | 1.3° | 1.3° |
| N2 | C4 | C2 | H15 | 160.1° | 160.1° |
| N2 | C4 | C5 | H20 | 117.6° | 117.6° |
| C5 | C4 | N2 | C3 | 3.5° | 3.5° |
| C4 | C5 | N1 | C3 | 1.2° | 1.2° |
| C4 | C5 | C6 | S1 | 29.8° | 29.8° |
| C4 | C5 | C6 | N1 | 112.5° | 112.5° |
| C4 | C5 | C6 | H20 | 121.1° | 121.1° |
| C4 | C5 | N1 | H20 | 117.7° | 117.7° |
| C5 | C4 | C2 | H15 | 85.1° | 85.0° |
| C5 | C4 | N2 | H17 | 176.5° | 176.5° |
| C4 | C5 | C6 | H18 | 149.3° | 149.3° |
| C4 | C5 | C6 | H19 | 89.6° | 89.6° |
| C4 | C5 | N1 | H21 | 178.8° | 178.8° |
| N2 | C3 | O3 | N1 | 178.8° | 178.8° |
| N2 | C3 | N1 | C5 | 3.4° | 3.4° |
| C3 | N2 | C4 | H16 | 120.5° | 120.5° |
| N2 | C3 | N1 | H21 | 176.6° | 176.6° |
| O3 | C3 | N1 | C5 | 177.7° | 177.7° |
| O3 | C3 | N2 | H17 | 3.3° | 3.3° |
| O3 | C3 | N1 | H21 | 2.3° | 2.3° |
| C3 | N1 | C5 | C6 | 115.1° | 115.1° |
| C3 | N1 | C5 | H21 | 180.0° | 180.0° |
| N1 | C3 | N2 | H17 | 175.6° | 175.6° |
| C3 | N1 | C5 | H20 | 118.9° | 118.9° |
| S1 | C6 | C5 | H18 | 119.4° | 119.5° |
| S1 | C6 | C5 | H19 | 119.4° | 119.4° |
| S1 | C6 | C5 | N1 | 82.6° | 82.6° |
| C6 | S1 | C2 | H15 | 76.2° | 76.2° |
| S1 | C6 | H18 | H19 | 121.6° | 121.6° |
| S1 | C6 | C5 | H20 | 150.9° | 150.9° |
| C6 | C5 | N1 | H20 | 126.0° | 126.0° |
| C6 | C5 | C4 | H16 | 120.8° | 120.8° |
| C5 | C6 | H18 | H19 | 121.6° | 121.6° |
| C6 | C5 | N1 | H21 | 64.9° | 64.9° |
| N1 | C5 | C4 | H16 | 119.7° | 119.7° |
| N1 | C5 | C6 | H18 | 36.8° | 36.8° |
| N1 | C5 | C6 | H19 | 157.9° | 157.9° |
| C20 | C19 | C23 | FE1 | 59.4° | 59.4° |
| C20 | C19 | C23 | H22 | 164.9° | 164.9° |
| C20 | C19 | FE1 | H22 | 120.7° | 120.7° |
| C19 | C20 | C21 | FE1 | 59.3° | 59.3° |
| C19 | C20 | C21 | H23 | 164.5° | 164.5° |
| C19 | C20 | FE1 | H23 | 120.0° | 120.0° |
| C19 | C20 | C21 | C22 | 0.4° | 0.4° |
| C20 | C19 | C23 | C22 | 0.7° | 0.7° |
| C19 | C20 | FE1 | C22 | 82.1° | 82.1° |
| C19 | C20 | C21 | H24 | 164.3° | 164.3° |
| C20 | C19 | C23 | H26 | 163.9° | 163.9° |
| C23 | C19 | FE1 | H22 | 121.1° | 121.1° |
| C23 | C19 | C20 | C21 | 0.6° | 0.6° |
| C19 | C23 | C22 | C21 | 0.5° | 0.5° |
| C19 | C23 | FE1 | C21 | 82.7° | 82.7° |
| C19 | C23 | C22 | FE1 | 58.6° | 58.6° |
| C19 | C23 | C22 | H26 | 163.3° | 163.2° |
| C19 | C23 | FE1 | H26 | 119.8° | 119.8° |
| C23 | C19 | C20 | H23 | 165.1° | 165.1° |
| C19 | C23 | C22 | H25 | 163.6° | 163.6° |
| C19 | FE1 | C22 | C21 | 82.3° | 82.3° |
| C19 | FE1 | C16 | H3 | 56.7° | 56.7° |
| C19 | FE1 | C15 | H4 | 36.8° | 36.8° |
| C19 | FE1 | C14 | H5 | 53.3° | 53.3° |
| C19 | FE1 | C18 | H6 | 18.3° | 18.3° |
| C19 | FE1 | C21 | H24 | 157.8° | 157.8° |
| C19 | FE1 | C22 | H25 | 157.4° | 157.4° |
| C21 | C20 | FE1 | H23 | 119.9° | 119.9° |
| C20 | C21 | C22 | FE1 | 59.2° | 59.2° |
| C20 | C21 | C22 | H24 | 164.7° | 164.7° |
| C20 | C21 | FE1 | H24 | 120.5° | 120.5° |
| C20 | C21 | C22 | C23 | 0.1° | 0.1° |
| C20 | C21 | FE1 | C23 | 81.1° | 81.1° |
| C21 | C20 | C19 | H22 | 164.3° | 164.3° |
| C20 | C21 | C22 | H25 | 164.0° | 164.0° |
| C20 | FE1 | C23 | C22 | 82.0° | 82.0° |
| C20 | FE1 | C16 | H3 | 61.0° | 61.0° |
| C20 | FE1 | C15 | H4 | 50.1° | 50.1° |
| C20 | FE1 | C14 | H5 | 13.3° | 13.3° |
| C20 | FE1 | C18 | H6 | 27.3° | 27.3° |
| C20 | FE1 | C22 | H25 | 158.5° | 158.5° |
| C20 | FE1 | C23 | H26 | 158.3° | 158.3° |
| C22 | C21 | FE1 | H24 | 120.8° | 120.8° |
| C21 | C22 | C23 | FE1 | 59.0° | 59.0° |
| C21 | C22 | C23 | H25 | 164.1° | 164.1° |
| C21 | C22 | FE1 | H25 | 120.3° | 120.3° |
| C22 | C21 | C20 | H23 | 164.9° | 164.9° |
| C21 | C22 | C23 | H26 | 163.8° | 163.7° |
| C21 | FE1 | C16 | H3 | 55.7° | 55.7° |
| C21 | FE1 | C15 | H4 | 14.3° | 14.3° |
| C21 | FE1 | C14 | H5 | 31.4° | 31.4° |
| C21 | FE1 | C18 | H6 | 69.7° | 69.7° |
| C21 | FE1 | C19 | H22 | 158.1° | 158.1° |
| C21 | FE1 | C23 | H26 | 157.5° | 157.5° |
| C23 | C22 | FE1 | H25 | 120.4° | 120.4° |
| C22 | C23 | FE1 | H26 | 119.8° | 119.8° |
| C22 | C23 | C19 | H22 | 164.2° | 164.2° |
| C23 | C22 | C21 | H24 | 164.7° | 164.7° |
| C22 | FE1 | C16 | H3 | 18.8° | 18.8° |
| C22 | FE1 | C15 | H4 | 28.6° | 28.6° |
| C22 | FE1 | C14 | H5 | 70.2° | 70.2° |
| C22 | FE1 | C18 | H6 | 134.0° | 134.0° |
| C22 | FE1 | C19 | H22 | 158.1° | 158.1° |
| C22 | FE1 | C20 | H23 | 157.9° | 157.9° |
| C23 | FE1 | C16 | H3 | 23.8° | 23.8° |
| C23 | FE1 | C15 | H4 | 62.2° | 62.2° |
| C23 | FE1 | C14 | H5 | 138.8° | 138.8° |
| C23 | FE1 | C18 | H6 | 60.3° | 60.3° |
| C23 | FE1 | C20 | H23 | 158.2° | 158.2° |
| C23 | FE1 | C21 | H24 | 158.4° | 158.4° |
| H1 | O12 | C11 | H2 | 63.4° | 63.4° |
| H2 | C11 | C10 | H7 | 53.5° | 53.5° |
| H2 | C11 | C10 | H8 | 65.3° | 65.3° |
| H3 | C16 | C15 | H4 | 0.2° | 0.2° |
| H4 | C15 | C14 | H5 | 0.2° | 0.2° |
| H5 | C14 | C18 | H6 | 0.5° | 0.5° |
| H7 | C10 | C9 | H9 | 159.6° | 159.6° |
| H7 | C10 | C9 | H10 | 40.8° | 40.7° |
| H8 | C10 | C9 | H9 | 81.7° | 81.7° |
| H8 | C10 | C9 | H10 | 159.5° | 159.4° |
| H9 | C9 | C8 | H11 | 151.6° | 151.6° |
| H9 | C9 | C8 | H12 | 33.0° | 33.0° |
| H10 | C9 | C8 | H11 | 89.6° | 89.6° |
| H10 | C9 | C8 | H12 | 151.8° | 151.8° |
| H11 | C8 | C7 | H13 | 92.2° | 92.2° |
| H11 | C8 | C7 | H14 | 26.6° | 26.6° |
| H12 | C8 | C7 | H13 | 149.2° | 149.2° |
| H12 | C8 | C7 | H14 | 92.0° | 92.0° |
| H13 | C7 | C2 | H15 | 70.4° | 70.4° |
| H14 | C7 | C2 | H15 | 170.8° | 170.8° |
| H15 | C2 | C4 | H16 | 35.3° | 35.3° |
| H16 | C4 | N2 | H17 | 59.6° | 59.6° |
| H16 | C4 | C5 | H20 | 0.7° | 0.7° |
| H18 | C6 | C5 | H20 | 89.7° | 89.6° |
| H19 | C6 | C5 | H20 | 31.5° | 31.5° |
| H20 | C5 | N1 | H21 | 61.1° | 61.1° |
| H22 | C19 | C20 | H23 | 0.2° | 0.2° |
| H22 | C19 | C23 | H26 | 1.0° | 1.0° |
| H23 | C20 | C21 | H24 | 0.2° | 0.2° |
| H24 | C21 | C22 | H25 | 0.6° | 0.6° |
| H25 | C22 | C23 | H26 | 0.3° | 0.4° |
