M61
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | doub | 1.40Å | 1.38Å | Aromatic |
| C | C4 | sing | 1.39Å | 1.38Å | Aromatic |
| C | C14 | sing | 1.48Å | 1.44Å | |
| N | C1 | sing | 1.31Å | 1.34Å | Aromatic |
| N | C2 | doub | 1.34Å | 1.34Å | Aromatic |
| O | C9 | doub | 1.22Å | 1.23Å | |
| S | N16 | sing | 1.66Å | 1.71Å | |
| S | O18 | doub | 1.42Å | 1.45Å | |
| S | O19 | doub | 1.42Å | 1.45Å | |
| S | N20 | sing | 1.66Å | 1.72Å | |
| C2 | C3 | sing | 1.41Å | 1.39Å | Aromatic |
| C2 | C5 | sing | 1.45Å | 1.45Å | |
| C3 | C4 | doub | 1.40Å | 1.38Å | Aromatic |
| C3 | C9 | sing | 1.47Å | 1.47Å | |
| C5 | C6 | doub | 1.32Å | 1.33Å | |
| C6 | C7 | sing | 1.45Å | 1.45Å | |
| C7 | C8 | doub | 1.41Å | 1.39Å | Aromatic |
| C7 | C10 | sing | 1.41Å | 1.38Å | Aromatic |
| C8 | C9 | sing | 1.47Å | 1.47Å | |
| C8 | C13 | sing | 1.40Å | 1.38Å | Aromatic |
| C10 | C11 | doub | 1.36Å | 1.37Å | Aromatic |
| C11 | C12 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | N20 | sing | 1.39Å | 1.43Å | |
| C14 | C27 | doub | 1.36Å | 1.38Å | Aromatic |
| C14 | C30 | sing | 1.41Å | 1.42Å | Aromatic |
| C15 | N16 | sing | 1.46Å | 1.47Å | |
| N16 | C17 | sing | 1.46Å | 1.48Å | |
| C17 | C21 | sing | 1.53Å | 1.51Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | O26 | sing | 1.43Å | 1.43Å | |
| C22 | O23 | sing | 1.43Å | 1.42Å | |
| O23 | C24 | sing | 1.43Å | 1.42Å | |
| C24 | C25 | sing | 1.53Å | 1.52Å | |
| C25 | O26 | sing | 1.43Å | 1.42Å | |
| C27 | N28 | sing | 1.35Å | 1.37Å | Aromatic |
| N28 | N29 | sing | 1.40Å | 1.35Å | Aromatic |
| N28 | C31 | sing | 1.47Å | 1.45Å | |
| N29 | C30 | doub | 1.31Å | 1.33Å | Aromatic |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C31 | C36 | sing | 1.53Å | 1.52Å | |
| C32 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | N34 | sing | 1.47Å | 1.48Å | |
| N34 | C35 | sing | 1.47Å | 1.49Å | |
| C35 | C36 | sing | 1.53Å | 1.51Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C15 | H15B | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H17A | sing | 1.09Å | 1.10Å | |
| N20 | HN20 | sing | 0.97Å | 1.00Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| N34 | HN34 | sing | 1.01Å | 1.00Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C | C4 | 117.7° | 119.1° |
| C1 | C | C14 | 121.5° | 120.4° |
| C | C1 | N | 124.4° | 121.4° |
| C | C1 | H1 | 117.8° | 119.3° |
| C4 | C | C14 | 120.8° | 120.5° |
| C | C4 | C3 | 119.1° | 118.2° |
| C | C4 | H4 | 120.4° | 120.9° |
| C | C14 | C27 | 124.8° | 126.3° |
| C | C14 | C30 | 129.6° | 126.2° |
| C1 | N | C2 | 117.1° | 122.2° |
| N | C1 | H1 | 117.8° | 119.3° |
| N | C2 | C3 | 122.5° | 119.4° |
| N | C2 | C5 | 110.3° | 119.4° |
| O | C9 | C3 | 116.4° | 120.9° |
| O | C9 | C8 | 118.1° | 120.9° |
| N16 | S | O18 | 107.8° | 106.4° |
| N16 | S | O19 | 109.2° | 106.4° |
| N16 | S | N20 | 103.3° | 107.2° |
| S | N16 | C15 | 117.2° | 120.0° |
| S | N16 | C17 | 118.4° | 120.0° |
| O18 | S | O19 | 119.7° | 123.1° |
| O18 | S | N20 | 102.2° | 106.4° |
| O19 | S | N20 | 113.2° | 106.4° |
| S | N20 | C12 | 124.4° | 120.0° |
| S | N20 | HN20 | 105.6° | 120.0° |
| C3 | C2 | C5 | 127.2° | 121.2° |
| C2 | C3 | C4 | 119.0° | 119.6° |
| C2 | C3 | C9 | 126.5° | 120.1° |
| C2 | C5 | C6 | 129.6° | 127.5° |
| C2 | C5 | H5 | 115.2° | 116.3° |
| C4 | C3 | C9 | 114.4° | 120.3° |
| C3 | C4 | H4 | 120.4° | 120.9° |
| C3 | C9 | C8 | 125.6° | 118.3° |
| C5 | C6 | C7 | 129.8° | 127.3° |
| C6 | C5 | H5 | 115.2° | 116.2° |
| C5 | C6 | H6 | 115.1° | 116.3° |
| C6 | C7 | C8 | 128.0° | 121.2° |
| C6 | C7 | C10 | 113.2° | 119.7° |
| C7 | C6 | H6 | 115.1° | 116.4° |
| C8 | C7 | C10 | 118.7° | 119.1° |
| C7 | C8 | C9 | 125.6° | 120.2° |
| C7 | C8 | C13 | 120.3° | 119.9° |
| C7 | C10 | C11 | 121.0° | 120.3° |
| C7 | C10 | H10 | 119.5° | 119.9° |
| C9 | C8 | C13 | 114.0° | 119.9° |
| C8 | C13 | C12 | 120.1° | 119.7° |
| C8 | C13 | H13 | 120.0° | 120.2° |
| C10 | C11 | C12 | 120.1° | 120.8° |
| C11 | C10 | H10 | 119.5° | 119.9° |
| C10 | C11 | H11 | 119.9° | 119.6° |
| C11 | C12 | C13 | 119.7° | 120.2° |
| C11 | C12 | N20 | 116.3° | 119.9° |
| C12 | C11 | H11 | 120.0° | 119.6° |
| C13 | C12 | N20 | 124.0° | 119.9° |
| C12 | C13 | H13 | 119.9° | 120.2° |
| C12 | N20 | HN20 | 105.6° | 120.0° |
| C27 | C14 | C30 | 105.5° | 107.5° |
| C14 | C27 | N28 | 104.8° | 107.6° |
| C14 | C27 | H27 | 127.6° | 126.2° |
| C14 | C30 | N29 | 111.7° | 108.1° |
| C14 | C30 | H30 | 124.1° | 126.0° |
| C15 | N16 | C17 | 112.8° | 120.0° |
| N16 | C15 | H15 | 109.5° | 109.5° |
| N16 | C15 | H15A | 109.4° | 109.5° |
| N16 | C15 | H15B | 109.5° | 109.5° |
| N16 | C17 | C21 | 107.8° | 109.5° |
| N16 | C17 | H17 | 109.9° | 109.5° |
| N16 | C17 | H17A | 109.9° | 109.5° |
| C17 | C21 | C22 | 110.3° | 109.5° |
| C17 | C21 | O26 | 108.9° | 109.6° |
| C21 | C17 | H17 | 109.9° | 109.4° |
| C21 | C17 | H17A | 109.9° | 109.5° |
| C17 | C21 | H21 | 109.3° | 109.5° |
| C22 | C21 | O26 | 108.5° | 109.2° |
| C21 | C22 | O23 | 108.8° | 109.1° |
| C22 | C21 | H21 | 109.2° | 109.5° |
| C21 | C22 | H22 | 109.6° | 109.5° |
| C21 | C22 | H22A | 109.7° | 109.5° |
| C21 | O26 | C25 | 109.2° | 113.6° |
| O26 | C21 | H21 | 110.5° | 109.6° |
| C22 | O23 | C24 | 109.0° | 113.5° |
| O23 | C22 | H22 | 109.7° | 109.5° |
| O23 | C22 | H22A | 109.6° | 109.5° |
| O23 | C24 | C25 | 108.8° | 109.2° |
| O23 | C24 | H24 | 109.6° | 109.5° |
| O23 | C24 | H24A | 109.6° | 109.5° |
| C24 | C25 | O26 | 109.1° | 109.1° |
| C25 | C24 | H24 | 109.6° | 109.5° |
| C25 | C24 | H24A | 109.6° | 109.5° |
| C24 | C25 | H25 | 109.6° | 109.5° |
| C24 | C25 | H25A | 109.6° | 109.5° |
| O26 | C25 | H25 | 109.6° | 109.6° |
| O26 | C25 | H25A | 109.6° | 109.5° |
| C27 | N28 | N29 | 114.4° | 108.2° |
| C27 | N28 | C31 | 125.6° | 125.9° |
| N28 | C27 | H27 | 127.6° | 126.2° |
| N29 | N28 | C31 | 119.9° | 125.8° |
| N28 | N29 | C30 | 103.6° | 108.5° |
| N28 | C31 | C32 | 110.2° | 109.5° |
| N28 | C31 | C36 | 108.6° | 109.5° |
| N28 | C31 | H31 | 109.2° | 109.5° |
| N29 | C30 | H30 | 124.2° | 126.0° |
| C32 | C31 | C36 | 112.0° | 109.1° |
| C31 | C32 | C33 | 112.7° | 109.3° |
| C32 | C31 | H31 | 108.3° | 109.6° |
| C31 | C32 | H32 | 108.6° | 109.5° |
| C31 | C32 | H32A | 108.6° | 109.5° |
| C31 | C36 | C35 | 111.8° | 109.3° |
| C36 | C31 | H31 | 108.3° | 109.6° |
| C31 | C36 | H36 | 108.9° | 109.4° |
| C31 | C36 | H36A | 108.9° | 109.5° |
| C32 | C33 | N34 | 108.4° | 109.4° |
| C33 | C32 | H32 | 108.7° | 109.5° |
| C33 | C32 | H32A | 108.7° | 109.5° |
| C32 | C33 | H33 | 109.7° | 109.5° |
| C32 | C33 | H33A | 109.7° | 109.5° |
| C33 | N34 | C35 | 111.5° | 111.2° |
| N34 | C33 | H33 | 109.7° | 109.5° |
| N34 | C33 | H33A | 109.7° | 109.5° |
| C33 | N34 | HN34 | 109.0° | 111.0° |
| N34 | C35 | C36 | 107.3° | 109.5° |
| C35 | N34 | HN34 | 109.0° | 111.0° |
| N34 | C35 | H35 | 110.0° | 109.4° |
| N34 | C35 | H35A | 110.0° | 109.4° |
| C36 | C35 | H35 | 110.0° | 109.5° |
| C36 | C35 | H35A | 110.0° | 109.5° |
| C35 | C36 | H36 | 108.9° | 109.5° |
| C35 | C36 | H36A | 108.9° | 109.5° |
| H15 | C15 | H15A | 109.5° | 109.5° |
| H15 | C15 | H15B | 109.5° | 109.4° |
| H15A | C15 | H15B | 109.5° | 109.4° |
| H17 | C17 | H17A | 109.5° | 109.5° |
| H22 | C22 | H22A | 109.5° | 109.6° |
| H24 | C24 | H24A | 109.4° | 109.6° |
| H25 | C25 | H25A | 109.4° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H35 | C35 | H35A | 109.5° | 109.5° |
| H36 | C36 | H36A | 109.4° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C | C4 | C14 | 178.7° | 179.7° |
| C | C1 | N | H1 | 180.0° | 179.9° |
| C | C1 | N | C2 | 0.1° | 0.9° |
| C1 | C | C4 | C3 | 4.3° | 0.4° |
| C1 | C | C14 | C27 | 8.2° | 0.0° |
| C1 | C | C14 | C30 | 176.2° | 179.7° |
| C1 | C | C4 | H4 | 175.6° | 179.6° |
| C4 | C | C1 | N | 4.4° | 0.8° |
| C | C4 | C3 | C2 | 0.3° | 1.6° |
| C | C4 | C3 | H4 | 180.0° | 180.0° |
| C | C4 | C3 | C9 | 176.1° | 177.2° |
| C4 | C | C14 | C27 | 173.1° | 179.7° |
| C4 | C | C14 | C30 | 2.5° | 0.6° |
| C4 | C | C1 | H1 | 175.7° | 179.1° |
| C14 | C | C1 | N | 176.9° | 178.9° |
| C14 | C | C4 | C3 | 176.9° | 179.3° |
| C | C14 | C27 | C30 | 176.5° | 179.8° |
| C | C14 | C27 | N28 | 176.8° | 180.0° |
| C | C14 | C30 | N29 | 176.1° | 179.8° |
| C14 | C | C1 | H1 | 3.1° | 1.2° |
| C14 | C | C4 | H4 | 3.1° | 0.7° |
| C | C14 | C27 | H27 | 3.2° | 0.1° |
| C | C14 | C30 | H30 | 3.9° | 0.0° |
| C1 | N | C2 | C3 | 4.3° | 3.0° |
| C1 | N | C2 | C5 | 177.9° | 175.6° |
| N | C2 | C3 | C5 | 177.4° | 178.6° |
| N | C2 | C3 | C4 | 4.2° | 3.3° |
| N | C2 | C3 | C9 | 171.0° | 175.5° |
| N | C2 | C5 | C6 | 170.7° | 140.6° |
| C2 | N | C1 | H1 | 180.0° | 179.1° |
| N | C2 | C5 | H5 | 9.2° | 39.4° |
| O | C9 | C3 | C2 | 149.0° | 121.8° |
| O | C9 | C3 | C4 | 26.5° | 59.4° |
| O | C9 | C3 | C8 | 178.9° | 180.0° |
| O | C9 | C8 | C7 | 151.9° | 120.9° |
| O | C9 | C8 | C13 | 25.3° | 60.5° |
| N16 | S | O18 | O19 | 125.5° | 122.9° |
| N16 | S | O18 | N20 | 108.5° | 114.1° |
| N16 | S | O19 | N20 | 114.5° | 114.1° |
| N16 | S | N20 | C12 | 72.0° | 65.0° |
| S | N16 | C15 | C17 | 142.8° | 180.0° |
| S | N16 | C17 | C21 | 113.5° | 95.0° |
| S | N16 | C15 | H15 | 180.0° | 90.0° |
| S | N16 | C15 | H15A | 60.0° | 150.0° |
| S | N16 | C15 | H15B | 60.0° | 30.0° |
| S | N16 | C17 | H17 | 6.3° | 145.0° |
| S | N16 | C17 | H17A | 126.8° | 25.0° |
| N16 | S | N20 | HN20 | 165.9° | 114.9° |
| O18 | S | O19 | N20 | 120.6° | 123.0° |
| O18 | S | N20 | C12 | 176.1° | 48.6° |
| O18 | S | N16 | C15 | 67.9° | 156.4° |
| O18 | S | N16 | C17 | 151.4° | 23.6° |
| O18 | S | N20 | HN20 | 54.0° | 131.5° |
| O19 | S | N20 | C12 | 45.9° | 178.5° |
| O19 | S | N16 | C15 | 160.5° | 23.5° |
| O19 | S | N16 | C17 | 19.8° | 156.5° |
| O19 | S | N20 | HN20 | 76.1° | 1.4° |
| S | N20 | C12 | C11 | 174.2° | 45.0° |
| S | N20 | C12 | C13 | 5.9° | 134.9° |
| S | N20 | C12 | HN20 | 122.0° | 179.9° |
| N20 | S | N16 | C15 | 39.8° | 90.0° |
| N20 | S | N16 | C17 | 100.9° | 90.0° |
| C2 | C3 | C4 | C9 | 175.8° | 178.8° |
| C3 | C2 | C5 | C6 | 11.6° | 40.8° |
| C2 | C3 | C9 | C8 | 32.1° | 58.2° |
| C2 | C3 | C4 | H4 | 179.6° | 178.4° |
| C3 | C2 | C5 | H5 | 168.4° | 139.2° |
| C5 | C2 | C3 | C4 | 178.3° | 175.2° |
| C5 | C2 | C3 | C9 | 6.4° | 6.0° |
| C2 | C5 | C6 | H5 | 180.0° | 180.0° |
| C2 | C5 | C6 | C7 | 0.4° | 0.3° |
| C2 | C5 | C6 | H6 | 179.6° | 179.8° |
| C4 | C3 | C9 | C8 | 152.4° | 120.6° |
| C3 | C9 | C8 | C7 | 29.3° | 59.0° |
| C3 | C9 | C8 | C13 | 153.6° | 119.5° |
| C9 | C3 | C4 | H4 | 3.8° | 2.8° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 13.4° | 40.6° |
| C5 | C6 | C7 | C10 | 164.9° | 139.8° |
| C6 | C7 | C8 | C10 | 178.2° | 179.5° |
| C6 | C7 | C8 | C9 | 1.7° | 4.8° |
| C6 | C7 | C8 | C13 | 178.7° | 176.6° |
| C6 | C7 | C10 | C11 | 179.8° | 177.8° |
| C7 | C6 | C5 | H5 | 179.6° | 179.7° |
| C6 | C7 | C10 | H10 | 0.3° | 2.2° |
| C7 | C8 | C9 | C13 | 177.2° | 178.6° |
| C8 | C7 | C10 | C11 | 1.8° | 1.8° |
| C7 | C8 | C13 | C12 | 1.7° | 2.1° |
| C8 | C7 | C6 | H6 | 166.6° | 139.5° |
| C8 | C7 | C10 | H10 | 178.2° | 178.2° |
| C7 | C8 | C13 | H13 | 178.3° | 178.0° |
| C10 | C7 | C8 | C9 | 179.9° | 175.7° |
| C10 | C7 | C8 | C13 | 3.1° | 2.9° |
| C7 | C10 | C11 | H10 | 180.0° | 180.0° |
| C7 | C10 | C11 | C12 | 0.9° | 0.2° |
| C10 | C7 | C6 | H6 | 15.1° | 40.0° |
| C7 | C10 | C11 | H11 | 179.1° | 179.7° |
| C9 | C8 | C13 | C12 | 179.1° | 176.4° |
| C9 | C8 | C13 | H13 | 1.0° | 3.4° |
| C8 | C13 | C12 | C11 | 1.0° | 0.2° |
| C8 | C13 | C12 | H13 | 180.0° | 179.9° |
| C8 | C13 | C12 | N20 | 178.9° | 179.9° |
| C10 | C11 | C12 | H11 | 180.0° | 179.9° |
| C10 | C11 | C12 | C13 | 2.3° | 0.9° |
| C10 | C11 | C12 | N20 | 177.6° | 178.9° |
| C11 | C12 | C13 | N20 | 179.9° | 179.9° |
| C12 | C11 | C10 | H10 | 179.1° | 179.9° |
| C11 | C12 | C13 | H13 | 179.0° | 179.9° |
| C11 | C12 | N20 | HN20 | 63.8° | 135.1° |
| C13 | C12 | C11 | H11 | 177.7° | 178.9° |
| C13 | C12 | N20 | HN20 | 116.1° | 45.0° |
| N20 | C12 | C11 | H11 | 2.4° | 1.2° |
| N20 | C12 | C13 | H13 | 1.1° | 0.0° |
| C14 | C27 | N28 | H27 | 180.0° | 179.9° |
| C14 | C27 | N28 | N29 | 0.7° | 0.0° |
| C14 | C27 | N28 | C31 | 179.0° | 180.0° |
| C27 | C14 | C30 | N29 | 0.1° | 0.5° |
| C27 | C14 | C30 | H30 | 179.9° | 179.8° |
| C30 | C14 | C27 | N28 | 0.3° | 0.3° |
| C14 | C30 | N29 | N28 | 0.5° | 0.5° |
| C14 | C30 | N29 | H30 | 180.0° | 179.8° |
| C30 | C14 | C27 | H27 | 179.7° | 179.7° |
| C15 | N16 | C17 | C21 | 104.2° | 85.0° |
| N16 | C15 | H15 | H15A | 120.0° | 120.1° |
| N16 | C15 | H15 | H15B | 120.0° | 120.0° |
| N16 | C15 | H15A | H15B | 120.0° | 120.0° |
| C15 | N16 | C17 | H17 | 136.1° | 34.9° |
| C15 | N16 | C17 | H17A | 15.5° | 155.0° |
| N16 | C17 | C21 | H17 | 119.7° | 120.0° |
| N16 | C17 | C21 | H17A | 119.7° | 120.0° |
| N16 | C17 | C21 | C22 | 112.3° | 175.0° |
| N16 | C17 | C21 | O26 | 128.6° | 65.3° |
| C17 | N16 | C15 | H15 | 37.2° | 90.0° |
| C17 | N16 | C15 | H15A | 82.9° | 30.1° |
| C17 | N16 | C15 | H15B | 157.2° | 150.0° |
| N16 | C17 | H17 | H17A | 120.7° | 120.0° |
| N16 | C17 | C21 | H21 | 7.8° | 54.9° |
| C17 | C21 | C22 | O26 | 119.2° | 119.9° |
| C17 | C21 | C22 | H21 | 120.2° | 120.1° |
| C17 | C21 | O26 | H21 | 120.1° | 120.2° |
| C17 | C21 | C22 | O23 | 178.9° | 175.3° |
| C17 | C21 | O26 | C25 | 178.5° | 177.8° |
| C21 | C17 | H17 | H17A | 120.8° | 120.0° |
| C17 | C21 | C22 | H22 | 61.2° | 55.3° |
| C17 | C21 | C22 | H22A | 59.0° | 64.9° |
| C22 | C21 | O26 | H21 | 119.8° | 119.9° |
| C21 | C22 | O23 | H22 | 119.9° | 119.9° |
| C21 | C22 | O23 | H22A | 119.9° | 119.9° |
| C21 | C22 | O23 | C24 | 62.0° | 58.0° |
| C22 | C21 | O26 | C25 | 61.4° | 57.9° |
| C22 | C21 | C17 | H17 | 127.9° | 65.0° |
| C22 | C21 | C17 | H17A | 7.4° | 55.0° |
| C21 | C22 | H22 | H22A | 120.3° | 120.2° |
| O26 | C21 | C22 | O23 | 61.9° | 55.3° |
| C21 | O26 | C25 | C24 | 61.0° | 57.9° |
| O26 | C21 | C17 | H17 | 8.9° | 54.7° |
| O26 | C21 | C17 | H17A | 111.6° | 174.7° |
| O26 | C21 | C22 | H22 | 58.0° | 64.6° |
| O26 | C21 | C22 | H22A | 178.2° | 175.2° |
| C21 | O26 | C25 | H25 | 179.0° | 177.9° |
| C21 | O26 | C25 | H25A | 59.0° | 62.0° |
| C22 | O23 | C24 | C25 | 61.2° | 58.0° |
| O23 | C22 | C21 | H21 | 58.7° | 64.6° |
| O23 | C22 | H22 | H22A | 120.3° | 120.1° |
| C22 | O23 | C24 | H24 | 58.7° | 62.0° |
| C22 | O23 | C24 | H24A | 178.9° | 177.9° |
| O23 | C24 | C25 | H24 | 119.9° | 119.9° |
| O23 | C24 | C25 | H24A | 119.9° | 119.9° |
| O23 | C24 | C25 | O26 | 60.6° | 55.3° |
| C24 | O23 | C22 | H22 | 57.9° | 61.9° |
| C24 | O23 | C22 | H22A | 178.1° | 177.8° |
| O23 | C24 | H24 | H24A | 120.3° | 120.1° |
| O23 | C24 | C25 | H25 | 179.4° | 175.3° |
| O23 | C24 | C25 | H25A | 59.3° | 64.6° |
| C24 | C25 | O26 | H25 | 120.0° | 119.9° |
| C24 | C25 | O26 | H25A | 120.0° | 119.9° |
| C25 | C24 | H24 | H24A | 120.3° | 120.2° |
| C24 | C25 | H25 | H25A | 120.2° | 120.2° |
| C25 | O26 | C21 | H21 | 58.4° | 62.0° |
| O26 | C25 | C24 | H24 | 59.3° | 64.6° |
| O26 | C25 | C24 | H24A | 179.4° | 175.2° |
| O26 | C25 | H25 | H25A | 120.1° | 120.2° |
| C27 | N28 | N29 | C31 | 178.4° | 180.0° |
| C27 | N28 | N29 | C30 | 0.8° | 0.3° |
| C27 | N28 | C31 | C32 | 116.8° | 85.0° |
| C27 | N28 | C31 | C36 | 120.1° | 34.7° |
| C27 | N28 | C31 | H31 | 2.1° | 154.8° |
| N29 | N28 | C31 | C32 | 65.0° | 95.0° |
| N29 | N28 | C31 | C36 | 58.1° | 145.3° |
| N29 | N28 | C27 | H27 | 179.3° | 180.0° |
| N28 | N29 | C30 | H30 | 179.4° | 179.8° |
| N29 | N28 | C31 | H31 | 176.1° | 25.2° |
| C31 | N28 | N29 | C30 | 179.2° | 179.7° |
| N28 | C31 | C32 | C36 | 121.1° | 119.9° |
| N28 | C31 | C32 | H31 | 119.5° | 120.2° |
| N28 | C31 | C36 | H31 | 118.6° | 120.1° |
| N28 | C31 | C32 | C33 | 169.6° | 177.6° |
| N28 | C31 | C36 | C35 | 172.8° | 177.6° |
| C31 | N28 | C27 | H27 | 1.0° | 0.0° |
| N28 | C31 | C32 | H32 | 49.2° | 57.5° |
| N28 | C31 | C32 | H32A | 69.9° | 62.5° |
| N28 | C31 | C36 | H36 | 66.8° | 62.5° |
| N28 | C31 | C36 | H36A | 52.4° | 57.6° |
| C32 | C31 | C36 | H31 | 119.4° | 120.0° |
| C31 | C32 | C33 | H32 | 120.5° | 120.0° |
| C31 | C32 | C33 | H32A | 120.5° | 119.9° |
| C31 | C32 | C33 | N34 | 53.6° | 59.2° |
| C32 | C31 | C36 | C35 | 50.8° | 57.7° |
| C31 | C32 | H32 | H32A | 118.5° | 120.1° |
| C31 | C32 | C33 | H33 | 173.4° | 179.2° |
| C31 | C32 | C33 | H33A | 66.2° | 60.8° |
| C32 | C31 | C36 | H36 | 171.2° | 177.6° |
| C32 | C31 | C36 | H36A | 69.6° | 62.3° |
| C36 | C31 | C32 | C33 | 48.5° | 57.7° |
| C31 | C36 | C35 | N34 | 57.8° | 59.2° |
| C31 | C36 | C35 | H36 | 120.4° | 119.9° |
| C31 | C36 | C35 | H36A | 120.4° | 119.9° |
| C36 | C31 | C32 | H32 | 71.9° | 62.3° |
| C36 | C31 | C32 | H32A | 169.0° | 177.6° |
| C31 | C36 | C35 | H35 | 177.4° | 179.2° |
| C31 | C36 | C35 | H35A | 61.8° | 60.8° |
| C31 | C36 | H36 | H36A | 118.9° | 120.1° |
| C32 | C33 | N34 | H33 | 119.8° | 120.0° |
| C32 | C33 | N34 | H33A | 119.8° | 120.0° |
| C32 | C33 | N34 | C35 | 63.2° | 61.8° |
| C33 | C32 | C31 | H31 | 70.9° | 62.3° |
| C33 | C32 | H32 | H32A | 118.6° | 120.1° |
| C32 | C33 | H33 | H33A | 120.5° | 120.0° |
| C32 | C33 | N34 | HN34 | 57.1° | 62.4° |
| C33 | N34 | C35 | HN34 | 120.3° | 124.2° |
| C33 | N34 | C35 | C36 | 65.3° | 61.8° |
| N34 | C33 | C32 | H32 | 66.9° | 60.8° |
| N34 | C33 | C32 | H32A | 174.0° | 179.2° |
| N34 | C33 | H33 | H33A | 120.5° | 120.0° |
| C33 | N34 | C35 | H35 | 175.0° | 178.2° |
| C33 | N34 | C35 | H35A | 54.3° | 58.2° |
| N34 | C35 | C36 | H35 | 119.6° | 120.0° |
| N34 | C35 | C36 | H35A | 119.7° | 120.0° |
| C35 | N34 | C33 | H33 | 177.0° | 178.3° |
| C35 | N34 | C33 | H33A | 56.6° | 58.2° |
| N34 | C35 | H35 | H35A | 121.0° | 119.9° |
| N34 | C35 | C36 | H36 | 178.2° | 179.1° |
| N34 | C35 | C36 | H36A | 62.5° | 60.7° |
| C35 | C36 | C31 | H31 | 68.7° | 62.3° |
| C36 | C35 | N34 | HN34 | 55.0° | 62.3° |
| C36 | C35 | H35 | H35A | 121.0° | 120.0° |
| C35 | C36 | H36 | H36A | 118.9° | 120.2° |
| H5 | C5 | C6 | H6 | 0.4° | 0.2° |
| H10 | C10 | C11 | H11 | 0.9° | 0.2° |
| H15 | C15 | H15A | H15B | 120.0° | 119.9° |
| H17 | C17 | C21 | H21 | 111.9° | 174.9° |
| H17A | C17 | C21 | H21 | 127.5° | 65.1° |
| H21 | C21 | C22 | H22 | 178.6° | 175.5° |
| H21 | C21 | C22 | H22A | 61.2° | 55.2° |
| H24 | C24 | C25 | H25 | 60.7° | 55.3° |
| H24 | C24 | C25 | H25A | 179.2° | 175.5° |
| H24A | C24 | C25 | H25 | 59.5° | 64.9° |
| H24A | C24 | C25 | H25A | 60.6° | 55.3° |
| H31 | C31 | C32 | H32 | 168.6° | 177.7° |
| H31 | C31 | C32 | H32A | 49.6° | 57.7° |
| H31 | C31 | C36 | H36 | 51.7° | 57.6° |
| H31 | C31 | C36 | H36A | 171.0° | 177.7° |
| H32 | C32 | C33 | H33 | 52.9° | 59.1° |
| H32 | C32 | C33 | H33A | 173.3° | 179.2° |
| H32A | C32 | C33 | H33 | 66.1° | 60.9° |
| H32A | C32 | C33 | H33A | 54.2° | 59.2° |
| H33 | C33 | N34 | HN34 | 62.7° | 57.6° |
| H33A | C33 | N34 | HN34 | 176.9° | 177.6° |
| HN34 | N34 | C35 | H35 | 64.7° | 57.6° |
| HN34 | N34 | C35 | H35A | 174.6° | 177.6° |
| H35 | C35 | C36 | H36 | 62.2° | 61.0° |
| H35 | C35 | C36 | H36A | 57.1° | 59.2° |
| H35A | C35 | C36 | H36 | 58.5° | 59.1° |
| H35A | C35 | C36 | H36A | 177.8° | 179.3° |
