UE1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C2 | sing | 1.35Å | 1.36Å | |
| N1 | N5 | sing | 1.40Å | 1.40Å | |
| N1 | S32 | sing | 1.66Å | 1.67Å | |
| C2 | N3 | sing | 1.35Å | 1.38Å | |
| C2 | O35 | doub | 1.22Å | 1.24Å | |
| N3 | C4 | sing | 1.38Å | 1.40Å | |
| N3 | C36 | sing | 1.47Å | 1.49Å | |
| C4 | N5 | doub | 1.30Å | 1.30Å | |
| C4 | C41 | sing | 1.48Å | 1.49Å | |
| N6 | C7 | doub | 1.30Å | 1.30Å | Aromatic |
| N6 | C27 | sing | 1.33Å | 1.34Å | Aromatic |
| C7 | S8 | sing | 1.76Å | 1.76Å | Aromatic |
| C7 | N28 | sing | 1.39Å | 1.39Å | |
| S8 | C9 | sing | 1.76Å | 1.75Å | Aromatic |
| C9 | C27 | doub | 1.35Å | 1.35Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | C13 | sing | 1.53Å | 1.55Å | |
| C10 | N15 | sing | 1.46Å | 1.45Å | |
| C11 | O14 | doub | 1.21Å | 1.21Å | |
| N12 | C13 | sing | 1.46Å | 1.45Å | |
| N12 | C29 | sing | 1.35Å | 1.34Å | |
| N15 | C16 | sing | 1.35Å | 1.34Å | |
| C16 | O17 | doub | 1.21Å | 1.22Å | |
| C16 | C18 | sing | 1.48Å | 1.47Å | |
| C18 | N19 | doub | 1.30Å | 1.32Å | |
| C18 | C27 | sing | 1.48Å | 1.49Å | |
| N19 | O20 | sing | 1.42Å | 1.44Å | |
| O20 | C21 | sing | 1.43Å | 1.45Å | |
| C21 | C22 | sing | 1.51Å | 1.54Å | |
| C21 | C23 | sing | 1.53Å | 1.53Å | |
| C21 | C24 | sing | 1.53Å | 1.54Å | |
| C22 | O25 | doub | 1.22Å | 1.22Å | |
| C22 | O26 | sing | 1.22Å | 1.23Å | |
| C29 | O30 | doub | 1.22Å | 1.22Å | |
| C29 | N31 | sing | 1.35Å | 1.34Å | |
| N31 | S32 | sing | 1.66Å | 1.64Å | |
| S32 | O33 | doub | 1.42Å | 1.41Å | |
| S32 | O34 | doub | 1.42Å | 1.41Å | |
| C36 | C37 | sing | 1.53Å | 1.54Å | |
| C37 | C38 | sing | 1.53Å | 1.53Å | |
| C37 | O39 | sing | 1.43Å | 1.43Å | |
| C38 | O40 | sing | 1.43Å | 1.43Å | |
| C41 | N42 | doub | 1.33Å | 1.38Å | Aromatic |
| C41 | C46 | sing | 1.39Å | 1.39Å | Aromatic |
| N42 | C43 | sing | 1.32Å | 1.37Å | Aromatic |
| C43 | C44 | doub | 1.39Å | 1.37Å | Aromatic |
| C44 | C45 | sing | 1.40Å | 1.44Å | Aromatic |
| C44 | O48 | sing | 1.36Å | 1.37Å | |
| C45 | C46 | doub | 1.39Å | 1.43Å | Aromatic |
| C45 | O47 | sing | 1.36Å | 1.23Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| N15 | HN15 | sing | 0.97Å | 1.00Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C23 | H23B | sing | 1.09Å | 1.10Å | |
| C24 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H24A | sing | 1.09Å | 1.10Å | |
| C24 | H24B | sing | 1.09Å | 1.10Å | |
| N28 | HN28 | sing | 0.97Å | 1.00Å | |
| N28 | HN2A | sing | 0.97Å | 1.00Å | |
| N31 | HN31 | sing | 0.97Å | 1.00Å | |
| C36 | H36 | sing | 1.09Å | 1.10Å | |
| C36 | H36A | sing | 1.09Å | 1.10Å | |
| C37 | H37 | sing | 1.09Å | 1.10Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| O39 | HO39 | sing | 0.97Å | 0.95Å | |
| O40 | HO40 | sing | 0.97Å | 0.95Å | |
| C43 | H43 | sing | 1.08Å | 1.08Å | |
| C46 | H46 | sing | 1.08Å | 1.08Å | |
| O47 | HO47 | sing | 0.97Å | 0.95Å | |
| O48 | HO48 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N1 | N5 | 107.0° | 107.5° |
| C2 | N1 | S32 | 128.4° | 126.2° |
| N1 | C2 | N3 | 107.9° | 107.6° |
| N1 | C2 | O35 | 124.7° | 126.2° |
| N5 | N1 | S32 | 124.5° | 126.3° |
| N1 | N5 | C4 | 109.8° | 108.1° |
| N1 | S32 | N31 | 108.2° | 107.2° |
| N1 | S32 | O33 | 110.3° | 106.4° |
| N1 | S32 | O34 | 108.3° | 106.4° |
| N3 | C2 | O35 | 127.4° | 126.2° |
| C2 | N3 | C4 | 107.2° | 108.3° |
| C2 | N3 | C36 | 127.5° | 125.8° |
| C4 | N3 | C36 | 125.3° | 125.9° |
| N3 | C4 | N5 | 108.1° | 108.5° |
| N3 | C4 | C41 | 130.0° | 125.8° |
| N3 | C36 | C37 | 116.2° | 109.5° |
| N3 | C36 | H36 | 107.3° | 109.5° |
| N3 | C36 | H36A | 107.2° | 109.5° |
| N5 | C4 | C41 | 121.4° | 125.7° |
| C4 | C41 | N42 | 116.9° | 119.6° |
| C4 | C41 | C46 | 123.6° | 119.7° |
| C7 | N6 | C27 | 117.3° | 116.9° |
| N6 | C7 | S8 | 109.4° | 109.5° |
| N6 | C7 | N28 | 125.0° | 125.2° |
| N6 | C27 | C9 | 114.2° | 115.2° |
| N6 | C27 | C18 | 124.4° | 122.4° |
| S8 | C7 | N28 | 125.6° | 125.2° |
| C7 | S8 | C9 | 90.1° | 90.1° |
| C7 | N28 | HN28 | 109.5° | 120.0° |
| C7 | N28 | HN2A | 109.5° | 120.0° |
| S8 | C9 | C27 | 109.0° | 108.3° |
| S8 | C9 | H9 | 125.5° | 125.9° |
| C9 | C27 | C18 | 121.2° | 122.4° |
| C27 | C9 | H9 | 125.5° | 125.9° |
| C11 | C10 | C13 | 116.9° | 109.5° |
| C11 | C10 | N15 | 107.8° | 109.5° |
| C10 | C11 | O14 | 122.9° | 120.0° |
| C11 | C10 | H10 | 105.8° | 109.5° |
| C10 | C11 | H11 | 118.5° | 120.0° |
| C13 | C10 | N15 | 110.3° | 109.5° |
| C10 | C13 | N12 | 105.0° | 109.5° |
| C13 | C10 | H10 | 103.0° | 109.4° |
| C10 | C13 | H13 | 111.0° | 109.5° |
| C10 | C13 | H13A | 111.0° | 109.5° |
| C10 | N15 | C16 | 120.9° | 120.0° |
| N15 | C10 | H10 | 113.0° | 109.5° |
| C10 | N15 | HN15 | 119.6° | 120.0° |
| O14 | C11 | H11 | 118.6° | 120.0° |
| C13 | N12 | C29 | 125.6° | 120.1° |
| C13 | N12 | HN12 | 117.2° | 120.0° |
| N12 | C13 | H13 | 111.0° | 109.5° |
| N12 | C13 | H13A | 111.0° | 109.5° |
| N12 | C29 | O30 | 123.3° | 120.0° |
| N12 | C29 | N31 | 111.9° | 120.0° |
| C29 | N12 | HN12 | 117.2° | 120.0° |
| N15 | C16 | O17 | 123.2° | 120.0° |
| N15 | C16 | C18 | 116.1° | 120.0° |
| C16 | N15 | HN15 | 119.5° | 120.0° |
| O17 | C16 | C18 | 120.7° | 120.0° |
| C16 | C18 | N19 | 118.1° | 120.0° |
| C16 | C18 | C27 | 116.9° | 120.0° |
| N19 | C18 | C27 | 125.0° | 120.0° |
| C18 | N19 | O20 | 120.0° | 120.0° |
| N19 | O20 | C21 | 124.1° | 114.0° |
| O20 | C21 | C22 | 111.4° | 109.5° |
| O20 | C21 | C23 | 104.7° | 109.4° |
| O20 | C21 | C24 | 113.5° | 109.5° |
| C22 | C21 | C23 | 110.5° | 109.5° |
| C22 | C21 | C24 | 111.8° | 109.5° |
| C21 | C22 | O25 | 121.0° | 120.0° |
| C21 | C22 | O26 | 122.5° | 120.0° |
| C23 | C21 | C24 | 104.4° | 109.4° |
| C21 | C23 | H23 | 109.5° | 109.5° |
| C21 | C23 | H23A | 109.5° | 109.5° |
| C21 | C23 | H23B | 109.5° | 109.4° |
| C21 | C24 | H24 | 109.5° | 109.5° |
| C21 | C24 | H24A | 109.5° | 109.5° |
| C21 | C24 | H24B | 109.4° | 109.5° |
| O25 | C22 | O26 | 116.5° | 120.0° |
| O30 | C29 | N31 | 124.8° | 120.0° |
| C29 | N31 | S32 | 126.7° | 120.0° |
| C29 | N31 | HN31 | 116.6° | 120.0° |
| N31 | S32 | O33 | 100.5° | 106.4° |
| N31 | S32 | O34 | 106.9° | 106.4° |
| S32 | N31 | HN31 | 116.6° | 120.0° |
| O33 | S32 | O34 | 121.7° | 123.2° |
| C36 | C37 | C38 | 109.8° | 109.4° |
| C36 | C37 | O39 | 112.3° | 109.5° |
| C37 | C36 | H36 | 107.3° | 109.5° |
| C37 | C36 | H36A | 107.3° | 109.5° |
| C36 | C37 | H37 | 107.7° | 109.5° |
| C38 | C37 | O39 | 110.7° | 109.5° |
| C37 | C38 | O40 | 109.9° | 109.5° |
| C38 | C37 | H37 | 109.5° | 109.5° |
| C37 | C38 | H38 | 109.3° | 109.5° |
| C37 | C38 | H38A | 109.3° | 109.5° |
| O39 | C37 | H37 | 106.7° | 109.5° |
| C37 | O39 | HO39 | 109.5° | 114.0° |
| O40 | C38 | H38 | 109.3° | 109.5° |
| O40 | C38 | H38A | 109.3° | 109.4° |
| C38 | O40 | HO40 | 109.5° | 114.0° |
| N42 | C41 | C46 | 119.4° | 120.7° |
| C41 | N42 | C43 | 122.5° | 121.7° |
| C41 | C46 | C45 | 119.2° | 119.0° |
| C41 | C46 | H46 | 120.4° | 120.4° |
| N42 | C43 | C44 | 120.4° | 120.9° |
| N42 | C43 | H43 | 119.8° | 119.5° |
| C43 | C44 | C45 | 119.4° | 119.2° |
| C43 | C44 | O48 | 119.5° | 120.4° |
| C44 | C43 | H43 | 119.8° | 119.6° |
| C45 | C44 | O48 | 121.0° | 120.4° |
| C44 | C45 | C46 | 119.1° | 118.4° |
| C44 | C45 | O47 | 121.0° | 120.8° |
| C44 | O48 | HO48 | 109.5° | 114.0° |
| C46 | C45 | O47 | 119.9° | 120.8° |
| C45 | C46 | H46 | 120.4° | 120.5° |
| C45 | O47 | HO47 | 109.5° | 114.0° |
| H13 | C13 | H13A | 107.9° | 109.4° |
| H23 | C23 | H23A | 109.5° | 109.5° |
| H23 | C23 | H23B | 109.4° | 109.5° |
| H23A | C23 | H23B | 109.5° | 109.4° |
| H24 | C24 | H24A | 109.5° | 109.4° |
| H24 | C24 | H24B | 109.5° | 109.4° |
| H24A | C24 | H24B | 109.5° | 109.5° |
| HN28 | N28 | HN2A | 109.4° | 120.0° |
| H36 | C36 | H36A | 111.6° | 109.5° |
| H38 | C38 | H38A | 109.6° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N1 | N5 | S32 | 175.8° | 179.7° |
| N1 | C2 | N3 | O35 | 178.9° | 179.9° |
| N1 | C2 | N3 | C4 | 3.2° | 0.1° |
| N1 | C2 | N3 | C36 | 177.8° | 180.0° |
| C2 | N1 | N5 | C4 | 1.8° | 0.0° |
| C2 | N1 | S32 | N31 | 176.5° | 90.0° |
| C2 | N1 | S32 | O33 | 74.4° | 156.5° |
| C2 | N1 | S32 | O34 | 61.0° | 23.5° |
| N5 | N1 | C2 | N3 | 3.1° | 0.1° |
| N5 | N1 | C2 | O35 | 178.0° | 180.0° |
| N1 | N5 | C4 | N3 | 0.1° | 0.0° |
| N1 | N5 | C4 | C41 | 172.6° | 180.0° |
| N5 | N1 | S32 | N31 | 1.7° | 90.3° |
| N5 | N1 | S32 | O33 | 110.7° | 23.2° |
| N5 | N1 | S32 | O34 | 113.8° | 156.1° |
| S32 | N1 | C2 | N3 | 178.6° | 179.7° |
| S32 | N1 | C2 | O35 | 2.4° | 0.3° |
| S32 | N1 | N5 | C4 | 177.6° | 179.7° |
| N1 | S32 | N31 | C29 | 81.5° | 65.0° |
| N1 | S32 | N31 | O33 | 115.6° | 113.5° |
| N1 | S32 | N31 | O34 | 116.4° | 113.6° |
| N1 | S32 | O33 | O34 | 128.5° | 123.0° |
| N1 | S32 | N31 | HN31 | 98.5° | 115.0° |
| C2 | N3 | C4 | C36 | 179.1° | 179.9° |
| C2 | N3 | C4 | N5 | 2.0° | 0.1° |
| C2 | N3 | C4 | C41 | 169.8° | 180.0° |
| C2 | N3 | C36 | C37 | 43.3° | 90.0° |
| C2 | N3 | C36 | H36 | 163.3° | 150.0° |
| C2 | N3 | C36 | H36A | 76.7° | 30.0° |
| O35 | C2 | N3 | C4 | 177.9° | 180.0° |
| O35 | C2 | N3 | C36 | 1.1° | 0.1° |
| N3 | C4 | N5 | C41 | 172.7° | 179.9° |
| C4 | N3 | C36 | C37 | 137.8° | 89.9° |
| N3 | C4 | C41 | N42 | 146.3° | 0.1° |
| N3 | C4 | C41 | C46 | 30.3° | 179.8° |
| C4 | N3 | C36 | H36 | 17.8° | 30.1° |
| C4 | N3 | C36 | H36A | 102.2° | 150.1° |
| C36 | N3 | C4 | N5 | 178.9° | 180.0° |
| C36 | N3 | C4 | C41 | 9.2° | 0.1° |
| N3 | C36 | C37 | H36 | 120.0° | 120.0° |
| N3 | C36 | C37 | H36A | 120.0° | 120.0° |
| N3 | C36 | C37 | C38 | 170.3° | 175.0° |
| N3 | C36 | C37 | O39 | 66.1° | 65.0° |
| N3 | C36 | H36 | H36A | 117.2° | 120.0° |
| N3 | C36 | C37 | H37 | 51.2° | 55.0° |
| N5 | C4 | C41 | N42 | 24.6° | 180.0° |
| N5 | C4 | C41 | C46 | 158.8° | 0.3° |
| C4 | C41 | N42 | C46 | 176.7° | 179.7° |
| C4 | C41 | N42 | C43 | 175.9° | 180.0° |
| C4 | C41 | C46 | C45 | 176.8° | 179.8° |
| C4 | C41 | C46 | H46 | 3.2° | 0.0° |
| N6 | C7 | S8 | N28 | 179.2° | 179.9° |
| N6 | C7 | S8 | C9 | 0.9° | 0.0° |
| C7 | N6 | C27 | C9 | 3.2° | 0.1° |
| C7 | N6 | C27 | C18 | 177.8° | 180.0° |
| N6 | C7 | N28 | HN28 | 0.0° | 0.1° |
| N6 | C7 | N28 | HN2A | 120.0° | 180.0° |
| C27 | N6 | C7 | S8 | 2.5° | 0.1° |
| C27 | N6 | C7 | N28 | 178.3° | 180.0° |
| N6 | C27 | C9 | S8 | 2.2° | 0.0° |
| N6 | C27 | C9 | C18 | 174.7° | 179.9° |
| N6 | C27 | C18 | C16 | 177.7° | 5.3° |
| N6 | C27 | C18 | N19 | 2.3° | 174.7° |
| N6 | C27 | C9 | H9 | 177.8° | 180.0° |
| C7 | S8 | C9 | C27 | 0.7° | 0.0° |
| C7 | S8 | C9 | H9 | 179.3° | 179.9° |
| S8 | C7 | N28 | HN28 | 179.0° | 180.0° |
| S8 | C7 | N28 | HN2A | 59.0° | 0.0° |
| N28 | C7 | S8 | C9 | 179.9° | 180.0° |
| C7 | N28 | HN28 | HN2A | 120.0° | 179.9° |
| S8 | C9 | C27 | H9 | 180.0° | 179.9° |
| S8 | C9 | C27 | C18 | 177.0° | 180.0° |
| C9 | C27 | C18 | C16 | 8.1° | 174.6° |
| C9 | C27 | C18 | N19 | 171.8° | 5.4° |
| C11 | C10 | C13 | N15 | 123.6° | 120.0° |
| C11 | C10 | C13 | H10 | 115.5° | 120.0° |
| C11 | C10 | N15 | H10 | 116.5° | 120.0° |
| C10 | C11 | O14 | H11 | 180.0° | 180.0° |
| C11 | C10 | C13 | N12 | 8.3° | 175.0° |
| C11 | C10 | N15 | C16 | 134.9° | 85.0° |
| C11 | C10 | C13 | H13 | 128.3° | 55.0° |
| C11 | C10 | C13 | H13A | 111.7° | 64.9° |
| C11 | C10 | N15 | HN15 | 45.1° | 95.0° |
| C13 | C10 | N15 | H10 | 114.7° | 120.0° |
| C13 | C10 | C11 | O14 | 98.2° | 120.0° |
| C10 | C13 | N12 | H13 | 120.0° | 120.0° |
| C10 | C13 | N12 | H13A | 120.0° | 120.1° |
| C10 | C13 | N12 | C29 | 87.3° | 180.0° |
| C13 | C10 | N15 | C16 | 96.3° | 155.0° |
| C13 | C10 | C11 | H11 | 81.8° | 60.0° |
| C10 | C13 | N12 | HN12 | 92.6° | 0.0° |
| C10 | C13 | H13 | H13A | 121.8° | 120.0° |
| C13 | C10 | N15 | HN15 | 83.7° | 25.0° |
| N15 | C10 | C11 | O14 | 26.7° | 0.0° |
| N15 | C10 | C13 | N12 | 131.9° | 55.0° |
| C10 | N15 | C16 | HN15 | 180.0° | 180.0° |
| C10 | N15 | C16 | O17 | 0.4° | 5.2° |
| C10 | N15 | C16 | C18 | 179.6° | 174.7° |
| N15 | C10 | C11 | H11 | 153.3° | 180.0° |
| N15 | C10 | C13 | H13 | 108.0° | 65.0° |
| N15 | C10 | C13 | H13A | 11.9° | 175.1° |
| O14 | C11 | C10 | H10 | 147.9° | 120.0° |
| C13 | N12 | C29 | HN12 | 180.0° | 180.0° |
| C13 | N12 | C29 | O30 | 11.8° | 0.0° |
| C13 | N12 | C29 | N31 | 168.5° | 180.0° |
| N12 | C13 | C10 | H10 | 107.2° | 65.0° |
| N12 | C13 | H13 | H13A | 121.8° | 120.0° |
| N12 | C29 | O30 | N31 | 179.6° | 180.0° |
| N12 | C29 | N31 | S32 | 173.6° | 180.0° |
| C29 | N12 | C13 | H13 | 152.7° | 60.0° |
| C29 | N12 | C13 | H13A | 32.7° | 59.9° |
| N12 | C29 | N31 | HN31 | 6.4° | 0.0° |
| N15 | C16 | O17 | C18 | 180.0° | 179.9° |
| N15 | C16 | C18 | N19 | 91.9° | 174.6° |
| N15 | C16 | C18 | C27 | 88.2° | 5.4° |
| C16 | N15 | C10 | H10 | 18.4° | 35.0° |
| O17 | C16 | C18 | N19 | 88.2° | 5.4° |
| O17 | C16 | C18 | C27 | 91.8° | 174.6° |
| O17 | C16 | N15 | HN15 | 179.6° | 174.7° |
| C16 | C18 | N19 | C27 | 179.9° | 180.0° |
| C16 | C18 | N19 | O20 | 2.9° | 5.3° |
| C18 | C16 | N15 | HN15 | 0.4° | 5.3° |
| C18 | N19 | O20 | C21 | 135.8° | 179.9° |
| C27 | C18 | N19 | O20 | 177.0° | 174.8° |
| C18 | C27 | C9 | H9 | 3.0° | 0.1° |
| N19 | O20 | C21 | C22 | 83.9° | 180.0° |
| N19 | O20 | C21 | C23 | 156.6° | 60.0° |
| N19 | O20 | C21 | C24 | 43.4° | 60.0° |
| O20 | C21 | C22 | C23 | 116.0° | 120.0° |
| O20 | C21 | C22 | C24 | 128.2° | 120.1° |
| O20 | C21 | C23 | C24 | 119.5° | 120.0° |
| O20 | C21 | C22 | O25 | 1.5° | 0.1° |
| O20 | C21 | C22 | O26 | 178.8° | 180.0° |
| O20 | C21 | C23 | H23 | 180.0° | 60.0° |
| O20 | C21 | C23 | H23A | 60.0° | 180.0° |
| O20 | C21 | C23 | H23B | 60.0° | 60.0° |
| O20 | C21 | C24 | H24 | 180.0° | 60.1° |
| O20 | C21 | C24 | H24A | 60.0° | 180.0° |
| O20 | C21 | C24 | H24B | 60.0° | 59.9° |
| C22 | C21 | C23 | C24 | 120.3° | 120.0° |
| C21 | C22 | O25 | O26 | 179.8° | 180.0° |
| C22 | C21 | C23 | H23 | 59.9° | 180.0° |
| C22 | C21 | C23 | H23A | 60.1° | 60.0° |
| C22 | C21 | C23 | H23B | 179.9° | 60.0° |
| C22 | C21 | C24 | H24 | 52.8° | 60.0° |
| C22 | C21 | C24 | H24A | 172.9° | 60.0° |
| C22 | C21 | C24 | H24B | 67.1° | 180.0° |
| C23 | C21 | C22 | O25 | 114.5° | 120.0° |
| C23 | C21 | C22 | O26 | 65.3° | 60.0° |
| C21 | C23 | H23 | H23A | 120.0° | 120.0° |
| C21 | C23 | H23 | H23B | 120.0° | 120.0° |
| C21 | C23 | H23A | H23B | 120.0° | 119.9° |
| C23 | C21 | C24 | H24 | 66.7° | 180.0° |
| C23 | C21 | C24 | H24A | 53.4° | 60.0° |
| C23 | C21 | C24 | H24B | 173.4° | 60.0° |
| C24 | C21 | C22 | O25 | 129.7° | 120.0° |
| C24 | C21 | C22 | O26 | 50.5° | 60.0° |
| C24 | C21 | C23 | H23 | 60.4° | 60.0° |
| C24 | C21 | C23 | H23A | 179.6° | 60.1° |
| C24 | C21 | C23 | H23B | 59.5° | 180.0° |
| C21 | C24 | H24 | H24A | 120.0° | 120.0° |
| C21 | C24 | H24 | H24B | 120.0° | 120.0° |
| C21 | C24 | H24A | H24B | 120.0° | 120.1° |
| O30 | C29 | N31 | S32 | 6.8° | 0.0° |
| O30 | C29 | N12 | HN12 | 168.2° | 180.0° |
| O30 | C29 | N31 | HN31 | 173.2° | 180.0° |
| C29 | N31 | S32 | HN31 | 180.0° | 180.0° |
| C29 | N31 | S32 | O33 | 162.9° | 48.5° |
| C29 | N31 | S32 | O34 | 34.9° | 178.5° |
| N31 | C29 | N12 | HN12 | 11.5° | 0.0° |
| N31 | S32 | O33 | O34 | 117.5° | 122.9° |
| O33 | S32 | N31 | HN31 | 17.1° | 131.5° |
| O34 | S32 | N31 | HN31 | 145.1° | 1.4° |
| C36 | C37 | C38 | O39 | 124.6° | 120.0° |
| C36 | C37 | C38 | H37 | 118.0° | 120.0° |
| C36 | C37 | O39 | H37 | 117.8° | 120.0° |
| C36 | C37 | C38 | O40 | 169.6° | 175.0° |
| C37 | C36 | H36 | H36A | 117.3° | 120.0° |
| C36 | C37 | C38 | H38 | 70.4° | 65.0° |
| C36 | C37 | C38 | H38A | 49.6° | 55.0° |
| C36 | C37 | O39 | HO39 | 180.0° | 60.0° |
| C38 | C37 | O39 | H37 | 119.1° | 120.0° |
| C37 | C38 | O40 | H38 | 120.0° | 120.0° |
| C37 | C38 | O40 | H38A | 120.0° | 120.0° |
| C38 | C37 | C36 | H36 | 69.7° | 65.0° |
| C38 | C37 | C36 | H36A | 50.3° | 55.0° |
| C37 | C38 | H38 | H38A | 119.8° | 120.1° |
| C38 | C37 | O39 | HO39 | 56.9° | 60.0° |
| C37 | C38 | O40 | HO40 | 180.0° | 180.0° |
| O39 | C37 | C38 | O40 | 65.8° | 65.0° |
| O39 | C37 | C36 | H36 | 53.9° | 55.0° |
| O39 | C37 | C36 | H36A | 173.9° | 175.0° |
| O39 | C37 | C38 | H38 | 54.2° | 54.9° |
| O39 | C37 | C38 | H38A | 174.2° | 175.0° |
| O40 | C38 | C37 | H37 | 51.6° | 55.0° |
| O40 | C38 | H38 | H38A | 119.8° | 119.9° |
| C41 | N42 | C43 | C44 | 1.1° | 0.1° |
| N42 | C41 | C46 | C45 | 0.3° | 0.5° |
| C41 | N42 | C43 | H43 | 178.9° | 180.0° |
| N42 | C41 | C46 | H46 | 179.7° | 179.7° |
| C46 | C41 | N42 | C43 | 0.8° | 0.3° |
| C41 | C46 | C45 | C44 | 1.1° | 0.5° |
| C41 | C46 | C45 | H46 | 180.0° | 179.7° |
| C41 | C46 | C45 | O47 | 180.0° | 179.7° |
| N42 | C43 | C44 | H43 | 180.0° | 180.0° |
| N42 | C43 | C44 | C45 | 0.3° | 0.1° |
| N42 | C43 | C44 | O48 | 179.6° | 180.0° |
| C43 | C44 | C45 | O48 | 179.9° | 179.9° |
| C43 | C44 | C45 | C46 | 0.8° | 0.3° |
| C43 | C44 | C45 | O47 | 179.7° | 179.9° |
| C43 | C44 | O48 | HO48 | 180.0° | 90.0° |
| C44 | C45 | C46 | O47 | 178.9° | 179.8° |
| C45 | C44 | C43 | H43 | 179.7° | 179.9° |
| C44 | C45 | C46 | H46 | 178.9° | 179.7° |
| C44 | C45 | O47 | HO47 | 180.0° | 90.0° |
| C45 | C44 | O48 | HO48 | 0.1° | 90.0° |
| O48 | C44 | C45 | C46 | 179.3° | 179.8° |
| O48 | C44 | C45 | O47 | 0.4° | 0.0° |
| O48 | C44 | C43 | H43 | 0.4° | 0.0° |
| C46 | C45 | O47 | HO47 | 1.1° | 89.7° |
| O47 | C45 | C46 | H46 | 0.0° | 0.0° |
| H10 | C10 | C11 | H11 | 32.1° | 60.0° |
| H10 | C10 | C13 | H13 | 12.8° | 175.0° |
| H10 | C10 | C13 | H13A | 132.8° | 55.0° |
| H10 | C10 | N15 | HN15 | 161.6° | 145.0° |
| HN12 | N12 | C13 | H13 | 27.4° | 120.1° |
| HN12 | N12 | C13 | H13A | 147.4° | 120.1° |
| H23 | C23 | H23A | H23B | 119.9° | 120.0° |
| H24 | C24 | H24A | H24B | 120.0° | 119.9° |
| H36 | C36 | C37 | H37 | 171.2° | 175.0° |
| H36A | C36 | C37 | H37 | 68.8° | 65.0° |
| H37 | C37 | C38 | H38 | 171.6° | 175.0° |
| H37 | C37 | C38 | H38A | 68.4° | 65.0° |
| H37 | C37 | O39 | HO39 | 62.2° | 180.0° |
| H38 | C38 | O40 | HO40 | 60.0° | 59.9° |
| H38A | C38 | O40 | HO40 | 60.0° | 60.0° |
