A1H9A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C32 | C33 | sing | 1.53Å | 1.55Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C33 | C34 | sing | 1.53Å | 1.55Å | |
| C31 | C30 | sing | 1.53Å | 1.55Å | |
| C34 | C27 | sing | 1.53Å | 1.56Å | |
| O21 | S19 | doub | 1.42Å | 1.43Å | |
| O20 | S19 | doub | 1.42Å | 1.43Å | |
| C30 | C29 | sing | 1.53Å | 1.54Å | |
| S19 | C22 | sing | 1.81Å | 1.79Å | |
| S19 | C6 | sing | 1.76Å | 1.81Å | |
| N26 | C27 | sing | 1.47Å | 1.45Å | |
| N26 | C1 | sing | 1.40Å | 1.38Å | |
| C27 | C28 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C29 | C28 | sing | 1.53Å | 1.54Å | |
| C1 | C6 | doub | 1.39Å | 1.42Å | Aromatic |
| C1 | C2 | sing | 1.39Å | 1.40Å | Aromatic |
| C6 | C5 | sing | 1.39Å | 1.42Å | Aromatic |
| C18 | N13 | sing | 1.47Å | 1.48Å | |
| C23 | C24 | sing | 1.53Å | 1.53Å | |
| F12 | C2 | sing | 1.35Å | 1.33Å | |
| C2 | C3 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.54Å | |
| C5 | N13 | sing | 1.40Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.39Å | Aromatic |
| N13 | C14 | sing | 1.47Å | 1.47Å | |
| C15 | C14 | sing | 1.53Å | 1.53Å | |
| C24 | O25 | sing | 1.43Å | 1.43Å | |
| C3 | C4 | sing | 1.38Å | 1.39Å | Aromatic |
| C3 | S7 | sing | 1.76Å | 1.80Å | |
| C4 | F11 | sing | 1.35Å | 1.35Å | |
| O9 | S7 | doub | 1.42Å | 1.43Å | |
| S7 | O8 | doub | 1.42Å | 1.42Å | |
| S7 | N10 | sing | 1.66Å | 1.62Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| C15 | H4 | sing | 1.09Å | 1.10Å | |
| C16 | H5 | sing | 1.09Å | 1.10Å | |
| C16 | H6 | sing | 1.09Å | 1.10Å | |
| C17 | H7 | sing | 1.09Å | 1.10Å | |
| C17 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C22 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C23 | H13 | sing | 1.09Å | 1.10Å | |
| C23 | H14 | sing | 1.09Å | 1.10Å | |
| C24 | H15 | sing | 1.09Å | 1.10Å | |
| C24 | H16 | sing | 1.09Å | 1.10Å | |
| O25 | H17 | sing | 0.97Å | 0.95Å | |
| N10 | H18 | sing | 0.97Å | 1.00Å | |
| N10 | H19 | sing | 0.97Å | 1.00Å | |
| N26 | H20 | sing | 1.01Å | 1.00Å | |
| C27 | H21 | sing | 1.09Å | 1.10Å | |
| C34 | H22 | sing | 1.09Å | 1.10Å | |
| C34 | H23 | sing | 1.09Å | 1.10Å | |
| C33 | H24 | sing | 1.09Å | 1.10Å | |
| C33 | H25 | sing | 1.09Å | 1.10Å | |
| C32 | H26 | sing | 1.09Å | 1.10Å | |
| C32 | H27 | sing | 1.09Å | 1.10Å | |
| C31 | H28 | sing | 1.09Å | 1.10Å | |
| C31 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C30 | H31 | sing | 1.09Å | 1.10Å | |
| C29 | H32 | sing | 1.09Å | 1.10Å | |
| C29 | H33 | sing | 1.09Å | 1.10Å | |
| C28 | H34 | sing | 1.09Å | 1.10Å | |
| C28 | H35 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C33 | C32 | C31 | 116.0° | 109.5° |
| C32 | C33 | C34 | 117.3° | 109.5° |
| C32 | C33 | H24 | 107.5° | 109.4° |
| C32 | C33 | H25 | 107.5° | 109.4° |
| C33 | C32 | H26 | 107.8° | 109.5° |
| C33 | C32 | H27 | 107.8° | 109.4° |
| C32 | C31 | C30 | 116.6° | 109.4° |
| C31 | C32 | H26 | 107.8° | 109.5° |
| C31 | C32 | H27 | 107.9° | 109.5° |
| C32 | C31 | H28 | 107.6° | 109.5° |
| C32 | C31 | H29 | 107.7° | 109.5° |
| C33 | C34 | C27 | 118.2° | 109.4° |
| C33 | C34 | H22 | 107.2° | 109.5° |
| C33 | C34 | H23 | 107.2° | 109.5° |
| C34 | C33 | H24 | 107.5° | 109.5° |
| C34 | C33 | H25 | 107.5° | 109.5° |
| C31 | C30 | C29 | 112.4° | 109.5° |
| C30 | C31 | H28 | 107.7° | 109.5° |
| C30 | C31 | H29 | 107.7° | 109.5° |
| C31 | C30 | H30 | 108.7° | 109.5° |
| C31 | C30 | H31 | 108.7° | 109.5° |
| C34 | C27 | N26 | 108.3° | 109.5° |
| C34 | C27 | C28 | 115.2° | 109.5° |
| C34 | C27 | H21 | 108.3° | 109.5° |
| C27 | C34 | H22 | 107.2° | 109.5° |
| C27 | C34 | H23 | 107.2° | 109.5° |
| O21 | S19 | O20 | 116.0° | 121.0° |
| O21 | S19 | C22 | 100.8° | 110.5° |
| O21 | S19 | C6 | 108.0° | 104.3° |
| O20 | S19 | C22 | 108.8° | 110.5° |
| O20 | S19 | C6 | 113.7° | 104.3° |
| C30 | C29 | C28 | 114.8° | 109.5° |
| C29 | C30 | H30 | 108.7° | 109.5° |
| C29 | C30 | H31 | 108.8° | 109.5° |
| C30 | C29 | H32 | 108.1° | 109.5° |
| C30 | C29 | H33 | 108.1° | 109.4° |
| C22 | S19 | C6 | 108.5° | 104.5° |
| S19 | C22 | C23 | 115.4° | 109.5° |
| S19 | C22 | H11 | 108.0° | 109.5° |
| S19 | C22 | H12 | 108.0° | 109.5° |
| S19 | C6 | C1 | 122.9° | 120.0° |
| S19 | C6 | C5 | 118.7° | 120.0° |
| C27 | N26 | C1 | 126.4° | 111.0° |
| N26 | C27 | C28 | 106.4° | 109.5° |
| C27 | N26 | H20 | 105.1° | 111.0° |
| N26 | C27 | H21 | 109.8° | 109.5° |
| N26 | C1 | C6 | 122.6° | 120.0° |
| N26 | C1 | C2 | 117.9° | 120.0° |
| C1 | N26 | H20 | 105.1° | 111.0° |
| C27 | C28 | C29 | 116.5° | 109.5° |
| C28 | C27 | H21 | 108.7° | 109.5° |
| C27 | C28 | H34 | 107.7° | 109.5° |
| C27 | C28 | H35 | 107.7° | 109.5° |
| C18 | C17 | C16 | 106.0° | 109.3° |
| C17 | C18 | N13 | 116.5° | 109.5° |
| C18 | C17 | H7 | 110.3° | 109.5° |
| C18 | C17 | H8 | 110.4° | 109.5° |
| C17 | C18 | H9 | 107.7° | 109.5° |
| C17 | C18 | H10 | 107.7° | 109.4° |
| C17 | C16 | C15 | 110.3° | 109.1° |
| C17 | C16 | H5 | 109.3° | 109.6° |
| C17 | C16 | H6 | 109.2° | 109.6° |
| C16 | C17 | H7 | 110.3° | 109.5° |
| C16 | C17 | H8 | 110.3° | 109.5° |
| C22 | C23 | C24 | 113.0° | 109.5° |
| C23 | C22 | H11 | 108.0° | 109.5° |
| C23 | C22 | H12 | 108.0° | 109.4° |
| C22 | C23 | H13 | 108.6° | 109.5° |
| C22 | C23 | H14 | 108.6° | 109.4° |
| C28 | C29 | H32 | 108.1° | 109.4° |
| C28 | C29 | H33 | 108.1° | 109.5° |
| C29 | C28 | H34 | 107.7° | 109.4° |
| C29 | C28 | H35 | 107.7° | 109.5° |
| C6 | C1 | C2 | 119.4° | 120.0° |
| C1 | C6 | C5 | 118.2° | 119.9° |
| C1 | C2 | F12 | 120.9° | 120.0° |
| C1 | C2 | C3 | 122.2° | 120.0° |
| C6 | C5 | N13 | 126.6° | 120.0° |
| C6 | C5 | C4 | 120.1° | 119.9° |
| C18 | N13 | C5 | 113.0° | 111.0° |
| C18 | N13 | C14 | 118.4° | 111.2° |
| N13 | C18 | H9 | 107.7° | 109.5° |
| N13 | C18 | H10 | 107.7° | 109.5° |
| C23 | C24 | O25 | 108.7° | 109.5° |
| C24 | C23 | H13 | 108.6° | 109.5° |
| C24 | C23 | H14 | 108.6° | 109.5° |
| C23 | C24 | H15 | 109.6° | 109.4° |
| C23 | C24 | H16 | 109.6° | 109.4° |
| F12 | C2 | C3 | 116.9° | 120.0° |
| C2 | C3 | C4 | 118.0° | 120.1° |
| C2 | C3 | S7 | 122.6° | 119.9° |
| C16 | C15 | C14 | 111.4° | 109.3° |
| C16 | C15 | H3 | 109.0° | 109.5° |
| C16 | C15 | H4 | 109.0° | 109.5° |
| C15 | C16 | H5 | 109.2° | 109.5° |
| C15 | C16 | H6 | 109.3° | 109.5° |
| N13 | C5 | C4 | 112.9° | 120.0° |
| C5 | N13 | C14 | 128.1° | 111.0° |
| C5 | C4 | C3 | 122.0° | 120.1° |
| C5 | C4 | F11 | 117.5° | 120.0° |
| N13 | C14 | C15 | 112.6° | 109.5° |
| N13 | C14 | H1 | 108.7° | 109.5° |
| N13 | C14 | H2 | 108.7° | 109.5° |
| C15 | C14 | H1 | 108.7° | 109.4° |
| C15 | C14 | H2 | 108.7° | 109.5° |
| C14 | C15 | H3 | 109.0° | 109.5° |
| C14 | C15 | H4 | 109.0° | 109.5° |
| O25 | C24 | H15 | 109.7° | 109.5° |
| O25 | C24 | H16 | 109.7° | 109.5° |
| C24 | O25 | H17 | 109.5° | 113.9° |
| C4 | C3 | S7 | 119.4° | 120.0° |
| C3 | C4 | F11 | 120.5° | 119.9° |
| C3 | S7 | O9 | 101.0° | 106.4° |
| C3 | S7 | O8 | 108.0° | 106.4° |
| C3 | S7 | N10 | 118.2° | 107.2° |
| O9 | S7 | O8 | 119.1° | 123.1° |
| O9 | S7 | N10 | 102.0° | 106.4° |
| O8 | S7 | N10 | 109.0° | 106.4° |
| S7 | N10 | H18 | 109.5° | 120.0° |
| S7 | N10 | H19 | 109.5° | 120.0° |
| H1 | C14 | H2 | 109.5° | 109.4° |
| H3 | C15 | H4 | 109.4° | 109.5° |
| H5 | C16 | H6 | 109.5° | 109.5° |
| H7 | C17 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.5° | 109.5° |
| H11 | C22 | H12 | 109.5° | 109.5° |
| H13 | C23 | H14 | 109.5° | 109.4° |
| H15 | C24 | H16 | 109.5° | 109.5° |
| H18 | N10 | H19 | 109.5° | 120.0° |
| H22 | C34 | H23 | 109.5° | 109.5° |
| H24 | C33 | H25 | 109.5° | 109.4° |
| H26 | C32 | H27 | 109.5° | 109.5° |
| H28 | C31 | H29 | 109.5° | 109.5° |
| H30 | C30 | H31 | 109.5° | 109.5° |
| H32 | C29 | H33 | 109.5° | 109.5° |
| H34 | C28 | H35 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C33 | C32 | C31 | H26 | 120.9° | 120.0° |
| C33 | C32 | C31 | H27 | 121.0° | 120.0° |
| C32 | C33 | C34 | H24 | 121.1° | 120.0° |
| C32 | C33 | C34 | H25 | 121.1° | 120.0° |
| C33 | C32 | C31 | C30 | 97.2° | 76.0° |
| C32 | C33 | C34 | C27 | 74.4° | 44.0° |
| C32 | C33 | C34 | H22 | 46.9° | 164.0° |
| C32 | C33 | C34 | H23 | 164.4° | 76.0° |
| C32 | C33 | H24 | H25 | 116.4° | 119.9° |
| C33 | C32 | H26 | H27 | 117.0° | 120.0° |
| C33 | C32 | C31 | H28 | 141.7° | 44.0° |
| C33 | C32 | C31 | H29 | 23.8° | 164.1° |
| C31 | C32 | C33 | C34 | 30.5° | 112.9° |
| C32 | C31 | C30 | H28 | 121.0° | 120.0° |
| C32 | C31 | C30 | H29 | 121.0° | 120.0° |
| C32 | C31 | C30 | C29 | 81.0° | 76.0° |
| C31 | C32 | C33 | H24 | 90.6° | 7.1° |
| C31 | C32 | C33 | H25 | 151.7° | 127.0° |
| C31 | C32 | H26 | H27 | 117.1° | 120.0° |
| C32 | C31 | H28 | H29 | 116.8° | 120.1° |
| C32 | C31 | C30 | H30 | 39.5° | 164.0° |
| C32 | C31 | C30 | H31 | 158.6° | 44.0° |
| C33 | C34 | C27 | H22 | 121.2° | 120.0° |
| C33 | C34 | C27 | H23 | 121.2° | 120.0° |
| C33 | C34 | C27 | N26 | 46.7° | 164.0° |
| C33 | C34 | C27 | C28 | 72.3° | 76.0° |
| C33 | C34 | C27 | H21 | 165.7° | 44.1° |
| C33 | C34 | H22 | H23 | 116.0° | 120.0° |
| C34 | C33 | H24 | H25 | 116.5° | 120.0° |
| C34 | C33 | C32 | H26 | 90.4° | 127.1° |
| C34 | C33 | C32 | H27 | 151.5° | 7.1° |
| C31 | C30 | C29 | H30 | 120.4° | 120.0° |
| C31 | C30 | C29 | H31 | 120.4° | 120.0° |
| C31 | C30 | C29 | C28 | 81.0° | 112.9° |
| C30 | C31 | C32 | H26 | 23.7° | 164.0° |
| C30 | C31 | C32 | H27 | 141.8° | 44.0° |
| C30 | C31 | H28 | H29 | 116.8° | 120.0° |
| C31 | C30 | H30 | H31 | 118.6° | 120.0° |
| C31 | C30 | C29 | H32 | 158.2° | 7.1° |
| C31 | C30 | C29 | H33 | 39.7° | 127.1° |
| C34 | C27 | N26 | C28 | 124.4° | 120.0° |
| C34 | C27 | N26 | H21 | 118.1° | 120.0° |
| C34 | C27 | N26 | C1 | 168.0° | 85.0° |
| C34 | C27 | C28 | H21 | 121.8° | 120.0° |
| C34 | C27 | C28 | C29 | 34.9° | 76.0° |
| C34 | C27 | N26 | H20 | 45.8° | 38.9° |
| C27 | C34 | H22 | H23 | 116.0° | 120.0° |
| C27 | C34 | C33 | H24 | 164.5° | 76.0° |
| C27 | C34 | C33 | H25 | 46.8° | 164.0° |
| C34 | C27 | C28 | H34 | 156.0° | 164.1° |
| C34 | C27 | C28 | H35 | 86.1° | 44.0° |
| O21 | S19 | O20 | C22 | 112.8° | 131.5° |
| O21 | S19 | O20 | C6 | 126.2° | 116.8° |
| O21 | S19 | C22 | C6 | 113.4° | 111.6° |
| O21 | S19 | C22 | C23 | 44.5° | 68.3° |
| O21 | S19 | C6 | C1 | 5.2° | 168.4° |
| O21 | S19 | C6 | C5 | 170.0° | 11.6° |
| O21 | S19 | C22 | H11 | 165.4° | 171.6° |
| O21 | S19 | C22 | H12 | 76.4° | 51.6° |
| O20 | S19 | C22 | C6 | 124.2° | 111.6° |
| O20 | S19 | C22 | C23 | 167.0° | 68.4° |
| O20 | S19 | C6 | C1 | 125.2° | 40.5° |
| O20 | S19 | C6 | C5 | 59.7° | 139.5° |
| O20 | S19 | C22 | H11 | 72.1° | 51.7° |
| O20 | S19 | C22 | H12 | 46.1° | 171.7° |
| C30 | C29 | C28 | C27 | 101.4° | 44.0° |
| C30 | C29 | C28 | H32 | 120.8° | 120.0° |
| C30 | C29 | C28 | H33 | 120.8° | 120.0° |
| C29 | C30 | C31 | H28 | 158.0° | 44.0° |
| C29 | C30 | C31 | H29 | 40.1° | 164.0° |
| C29 | C30 | H30 | H31 | 118.7° | 120.0° |
| C30 | C29 | H32 | H33 | 117.6° | 120.0° |
| C30 | C29 | C28 | H34 | 137.6° | 76.0° |
| C30 | C29 | C28 | H35 | 19.6° | 164.0° |
| S19 | C22 | C23 | H11 | 120.8° | 120.1° |
| S19 | C22 | C23 | H12 | 120.9° | 120.0° |
| C22 | S19 | C6 | C1 | 113.7° | 75.5° |
| C22 | S19 | C6 | C5 | 61.5° | 104.5° |
| S19 | C22 | C23 | C24 | 90.6° | 180.0° |
| S19 | C22 | H11 | H12 | 117.3° | 120.0° |
| S19 | C22 | C23 | H13 | 148.8° | 59.9° |
| S19 | C22 | C23 | H14 | 29.9° | 60.0° |
| S19 | C6 | C1 | N26 | 5.5° | 0.3° |
| C6 | S19 | C22 | C23 | 68.8° | 180.0° |
| S19 | C6 | C1 | C5 | 175.2° | 180.0° |
| S19 | C6 | C1 | C2 | 178.1° | 180.0° |
| S19 | C6 | C5 | N13 | 9.1° | 0.1° |
| S19 | C6 | C5 | C4 | 178.2° | 179.9° |
| C6 | S19 | C22 | H11 | 52.0° | 60.0° |
| C6 | S19 | C22 | H12 | 170.3° | 60.0° |
| C27 | N26 | C1 | H20 | 122.2° | 123.9° |
| N26 | C27 | C28 | H21 | 118.2° | 120.0° |
| N26 | C27 | C28 | C29 | 154.9° | 164.0° |
| C27 | N26 | C1 | C6 | 133.1° | 117.2° |
| C27 | N26 | C1 | C2 | 50.4° | 62.5° |
| N26 | C27 | C34 | H22 | 167.9° | 76.0° |
| N26 | C27 | C34 | H23 | 74.5° | 44.1° |
| N26 | C27 | C28 | H34 | 84.0° | 44.1° |
| N26 | C27 | C28 | H35 | 34.0° | 76.0° |
| C1 | N26 | C27 | C28 | 67.5° | 155.0° |
| N26 | C1 | C6 | C2 | 176.4° | 179.7° |
| N26 | C1 | C6 | C5 | 179.3° | 179.7° |
| N26 | C1 | C2 | F12 | 2.4° | 0.3° |
| N26 | C1 | C2 | C3 | 178.4° | 179.7° |
| C1 | N26 | C27 | H21 | 49.9° | 35.0° |
| C27 | C28 | C29 | H34 | 121.0° | 120.0° |
| C27 | C28 | C29 | H35 | 121.0° | 120.0° |
| C28 | C27 | N26 | H20 | 170.2° | 81.1° |
| C28 | C27 | C34 | H22 | 48.9° | 44.0° |
| C28 | C27 | C34 | H23 | 166.4° | 164.1° |
| C27 | C28 | C29 | H32 | 137.8° | 76.0° |
| C27 | C28 | C29 | H33 | 19.4° | 164.0° |
| C27 | C28 | H34 | H35 | 116.8° | 120.1° |
| C18 | C17 | C16 | H7 | 119.4° | 120.0° |
| C18 | C17 | C16 | H8 | 119.5° | 120.0° |
| C17 | C18 | N13 | H9 | 121.0° | 120.0° |
| C17 | C18 | N13 | H10 | 121.0° | 120.0° |
| C18 | C17 | C16 | C15 | 61.0° | 57.7° |
| C17 | C18 | N13 | C5 | 146.5° | 174.2° |
| C17 | C18 | N13 | C14 | 41.1° | 61.7° |
| C18 | C17 | C16 | H5 | 59.1° | 177.5° |
| C18 | C17 | C16 | H6 | 178.9° | 62.2° |
| C18 | C17 | H7 | H8 | 121.6° | 120.1° |
| C17 | C18 | H9 | H10 | 116.8° | 120.0° |
| C16 | C17 | C18 | N13 | 50.9° | 59.2° |
| C17 | C16 | C15 | H5 | 120.1° | 119.9° |
| C17 | C16 | C15 | H6 | 120.1° | 120.0° |
| C17 | C16 | C15 | C14 | 61.9° | 57.7° |
| C17 | C16 | C15 | H3 | 177.8° | 62.3° |
| C17 | C16 | C15 | H4 | 58.4° | 177.6° |
| C17 | C16 | H5 | H6 | 119.6° | 120.3° |
| C16 | C17 | H7 | H8 | 121.6° | 120.0° |
| C16 | C17 | C18 | H9 | 171.9° | 179.2° |
| C16 | C17 | C18 | H10 | 70.1° | 60.8° |
| C22 | C23 | C24 | H13 | 120.5° | 120.1° |
| C22 | C23 | C24 | H14 | 120.5° | 120.0° |
| C22 | C23 | C24 | O25 | 60.9° | 179.9° |
| C23 | C22 | H11 | H12 | 117.3° | 120.0° |
| C22 | C23 | H13 | H14 | 118.4° | 120.0° |
| C22 | C23 | C24 | H15 | 179.2° | 60.0° |
| C22 | C23 | C24 | H16 | 58.9° | 60.0° |
| C29 | C28 | C27 | H21 | 86.8° | 44.1° |
| C28 | C29 | C30 | H30 | 39.4° | 127.0° |
| C28 | C29 | C30 | H31 | 158.5° | 7.1° |
| C28 | C29 | H32 | H33 | 117.6° | 120.0° |
| C29 | C28 | H34 | H35 | 116.8° | 120.0° |
| C6 | C1 | C2 | F12 | 179.1° | 180.0° |
| C6 | C1 | C2 | C3 | 1.8° | 0.1° |
| C1 | C6 | C5 | N13 | 175.5° | 179.9° |
| C1 | C6 | C5 | C4 | 2.8° | 0.0° |
| C6 | C1 | N26 | H20 | 104.6° | 6.7° |
| C2 | C1 | C6 | C5 | 2.9° | 0.0° |
| C1 | C2 | F12 | C3 | 179.2° | 179.9° |
| C1 | C2 | C3 | C4 | 0.6° | 0.0° |
| C1 | C2 | C3 | S7 | 180.0° | 180.0° |
| C2 | C1 | N26 | H20 | 71.9° | 173.6° |
| C6 | C5 | N13 | C18 | 83.0° | 120.1° |
| C6 | C5 | N13 | C4 | 173.1° | 179.9° |
| C6 | C5 | N13 | C14 | 105.4° | 115.7° |
| C6 | C5 | C4 | C3 | 1.7° | 0.1° |
| C6 | C5 | C4 | F11 | 177.6° | 180.0° |
| C18 | N13 | C5 | C14 | 171.6° | 124.2° |
| C18 | N13 | C5 | C4 | 90.1° | 60.1° |
| C18 | N13 | C14 | C15 | 37.3° | 61.7° |
| C18 | N13 | C14 | H1 | 157.7° | 58.3° |
| C18 | N13 | C14 | H2 | 83.2° | 178.2° |
| N13 | C18 | C17 | H7 | 170.4° | 60.7° |
| N13 | C18 | C17 | H8 | 68.6° | 179.1° |
| N13 | C18 | H9 | H10 | 116.8° | 120.0° |
| C23 | C24 | O25 | H15 | 119.9° | 119.9° |
| C23 | C24 | O25 | H16 | 119.9° | 120.0° |
| C24 | C23 | C22 | H11 | 30.2° | 60.0° |
| C24 | C23 | C22 | H12 | 148.5° | 60.0° |
| C24 | C23 | H13 | H14 | 118.4° | 120.0° |
| C23 | C24 | H15 | H16 | 120.3° | 119.9° |
| C23 | C24 | O25 | H17 | 180.0° | 180.0° |
| F12 | C2 | C3 | C4 | 179.8° | 179.9° |
| F12 | C2 | C3 | S7 | 0.8° | 0.0° |
| C2 | C3 | C4 | C5 | 0.5° | 0.1° |
| C2 | C3 | C4 | S7 | 179.4° | 179.9° |
| C2 | C3 | C4 | F11 | 178.8° | 180.0° |
| C2 | C3 | S7 | O9 | 57.2° | 23.6° |
| C2 | C3 | S7 | O8 | 68.6° | 156.4° |
| C2 | C3 | S7 | N10 | 167.3° | 90.0° |
| C16 | C15 | C14 | N13 | 47.1° | 59.2° |
| C16 | C15 | C14 | H3 | 120.3° | 120.0° |
| C16 | C15 | C14 | H4 | 120.3° | 120.0° |
| C16 | C15 | C14 | H1 | 167.6° | 60.8° |
| C16 | C15 | C14 | H2 | 73.3° | 179.2° |
| C16 | C15 | H3 | H4 | 119.1° | 120.1° |
| C15 | C16 | H5 | H6 | 119.6° | 120.1° |
| C15 | C16 | C17 | H7 | 179.6° | 62.3° |
| C15 | C16 | C17 | H8 | 58.5° | 177.7° |
| C5 | N13 | C14 | C15 | 151.6° | 174.2° |
| N13 | C5 | C4 | C3 | 175.3° | 180.0° |
| N13 | C5 | C4 | F11 | 4.0° | 0.1° |
| C5 | N13 | C14 | H1 | 31.1° | 65.8° |
| C5 | N13 | C14 | H2 | 88.0° | 54.1° |
| C5 | N13 | C18 | H9 | 25.4° | 54.1° |
| C5 | N13 | C18 | H10 | 92.5° | 65.9° |
| C4 | C5 | N13 | C14 | 81.5° | 64.2° |
| C5 | C4 | C3 | F11 | 179.3° | 179.9° |
| C5 | C4 | C3 | S7 | 179.9° | 179.9° |
| N13 | C14 | C15 | H1 | 120.5° | 120.0° |
| N13 | C14 | C15 | H2 | 120.5° | 120.0° |
| N13 | C14 | H1 | H2 | 118.6° | 120.0° |
| N13 | C14 | C15 | H3 | 167.5° | 60.8° |
| N13 | C14 | C15 | H4 | 73.2° | 179.1° |
| C14 | N13 | C18 | H9 | 162.1° | 178.3° |
| C14 | N13 | C18 | H10 | 79.9° | 58.3° |
| C15 | C14 | H1 | H2 | 118.6° | 120.0° |
| C14 | C15 | H3 | H4 | 119.1° | 120.1° |
| C14 | C15 | C16 | H5 | 58.3° | 177.6° |
| C14 | C15 | C16 | H6 | 178.0° | 62.3° |
| O25 | C24 | C23 | H13 | 59.6° | 60.0° |
| O25 | C24 | C23 | H14 | 178.6° | 60.0° |
| O25 | C24 | H15 | H16 | 120.4° | 120.1° |
| C4 | C3 | S7 | O9 | 122.2° | 156.4° |
| C4 | C3 | S7 | O8 | 112.1° | 23.5° |
| C4 | C3 | S7 | N10 | 12.1° | 90.0° |
| S7 | C3 | C4 | F11 | 0.6° | 0.0° |
| C3 | S7 | O9 | O8 | 117.9° | 122.9° |
| C3 | S7 | O9 | N10 | 122.2° | 114.1° |
| C3 | S7 | O8 | N10 | 129.6° | 114.1° |
| C3 | S7 | N10 | H18 | 180.0° | 0.0° |
| C3 | S7 | N10 | H19 | 60.0° | 180.0° |
| O9 | S7 | O8 | N10 | 116.2° | 123.0° |
| O9 | S7 | N10 | H18 | 70.5° | 113.6° |
| O9 | S7 | N10 | H19 | 49.6° | 66.4° |
| O8 | S7 | N10 | H18 | 56.3° | 113.5° |
| O8 | S7 | N10 | H19 | 176.3° | 66.5° |
| S7 | N10 | H18 | H19 | 120.0° | 180.0° |
| H1 | C14 | C15 | H3 | 72.1° | 179.2° |
| H1 | C14 | C15 | H4 | 47.3° | 59.1° |
| H2 | C14 | C15 | H3 | 47.0° | 59.3° |
| H2 | C14 | C15 | H4 | 166.4° | 60.8° |
| H3 | C15 | C16 | H5 | 62.1° | 57.6° |
| H3 | C15 | C16 | H6 | 57.7° | 177.7° |
| H4 | C15 | C16 | H5 | 178.6° | 62.5° |
| H4 | C15 | C16 | H6 | 61.7° | 57.6° |
| H5 | C16 | C17 | H7 | 60.3° | 57.6° |
| H5 | C16 | C17 | H8 | 178.6° | 62.5° |
| H6 | C16 | C17 | H7 | 59.4° | 177.8° |
| H6 | C16 | C17 | H8 | 61.7° | 57.7° |
| H7 | C17 | C18 | H9 | 68.6° | 59.3° |
| H7 | C17 | C18 | H10 | 49.3° | 179.2° |
| H8 | C17 | C18 | H9 | 52.5° | 60.8° |
| H8 | C17 | C18 | H10 | 170.4° | 59.1° |
| H11 | C22 | C23 | H13 | 90.3° | 180.0° |
| H11 | C22 | C23 | H14 | 150.7° | 60.0° |
| H12 | C22 | C23 | H13 | 28.0° | 60.0° |
| H12 | C22 | C23 | H14 | 91.0° | 180.0° |
| H13 | C23 | C24 | H15 | 60.3° | 180.0° |
| H13 | C23 | C24 | H16 | 179.4° | 60.0° |
| H14 | C23 | C24 | H15 | 58.7° | 60.0° |
| H14 | C23 | C24 | H16 | 61.6° | 180.0° |
| H15 | C24 | O25 | H17 | 60.1° | 60.1° |
| H16 | C24 | O25 | H17 | 60.2° | 60.0° |
| H20 | N26 | C27 | H21 | 72.3° | 158.9° |
| H21 | C27 | C34 | H22 | 73.0° | 164.0° |
| H21 | C27 | C34 | H23 | 44.5° | 75.9° |
| H21 | C27 | C28 | H34 | 34.2° | 75.9° |
| H21 | C27 | C28 | H35 | 152.2° | 164.1° |
| H22 | C34 | C33 | H24 | 74.3° | 44.0° |
| H22 | C34 | C33 | H25 | 168.0° | 76.0° |
| H23 | C34 | C33 | H24 | 43.3° | 164.0° |
| H23 | C34 | C33 | H25 | 74.5° | 44.1° |
| H24 | C33 | C32 | H26 | 148.4° | 112.9° |
| H24 | C33 | C32 | H27 | 30.4° | 127.1° |
| H25 | C33 | C32 | H26 | 30.7° | 7.0° |
| H25 | C33 | C32 | H27 | 87.4° | 113.0° |
| H26 | C32 | C31 | H28 | 97.3° | 76.0° |
| H26 | C32 | C31 | H29 | 144.7° | 44.1° |
| H27 | C32 | C31 | H28 | 20.8° | 164.0° |
| H27 | C32 | C31 | H29 | 97.1° | 76.0° |
| H28 | C31 | C30 | H30 | 81.5° | 76.0° |
| H28 | C31 | C30 | H31 | 37.6° | 164.0° |
| H29 | C31 | C30 | H30 | 160.5° | 44.0° |
| H29 | C31 | C30 | H31 | 80.4° | 76.0° |
| H30 | C30 | C29 | H32 | 81.4° | 113.0° |
| H30 | C30 | C29 | H33 | 160.2° | 7.1° |
| H31 | C30 | C29 | H32 | 37.7° | 127.0° |
| H31 | C30 | C29 | H33 | 80.7° | 112.9° |
| H32 | C29 | C28 | H34 | 16.8° | 164.0° |
| H32 | C29 | C28 | H35 | 101.2° | 44.0° |
| H33 | C29 | C28 | H34 | 101.7° | 44.0° |
| H33 | C29 | C28 | H35 | 140.4° | 76.0° |
