O2E
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C7 | C6 | sing | 1.53Å | 1.52Å | |
| C6 | O4 | sing | 1.43Å | 1.42Å | |
| C6 | C5 | sing | 1.53Å | 1.54Å | |
| C25 | C24 | sing | 1.53Å | 1.52Å | |
| C24 | C8 | sing | 1.55Å | 1.54Å | |
| C24 | C11 | sing | 1.55Å | 1.50Å | |
| O9 | C15 | doub | 1.21Å | 1.22Å | |
| C5 | C8 | sing | 1.53Å | 1.53Å | |
| C5 | C1 | sing | 1.51Å | 1.52Å | |
| C8 | N2 | sing | 1.47Å | 1.46Å | |
| S1 | C11 | sing | 1.81Å | 1.75Å | |
| S1 | C12 | sing | 1.81Å | 1.82Å | |
| C11 | C9 | sing | 1.51Å | 1.35Å | |
| C15 | N4 | sing | 1.35Å | 1.35Å | |
| C15 | C14 | sing | 1.51Å | 1.53Å | |
| C1 | O1 | doub | 1.21Å | 1.20Å | |
| C1 | O2 | sing | 1.34Å | 1.33Å | |
| C23 | C14 | sing | 1.55Å | 1.54Å | |
| C23 | C12 | sing | 1.55Å | 1.53Å | |
| O2 | C2 | sing | 1.45Å | 1.46Å | |
| N2 | C9 | doub | 1.27Å | 1.32Å | |
| O7 | C19 | doub | 1.22Å | 1.31Å | |
| N4 | C16 | sing | 1.40Å | 1.42Å | |
| C14 | N3 | sing | 1.48Å | 1.46Å | |
| C17 | C16 | doub | 1.39Å | 1.39Å | Aromatic |
| C17 | C18 | sing | 1.40Å | 1.39Å | Aromatic |
| C12 | C13 | sing | 1.54Å | 1.52Å | |
| C9 | C10 | sing | 1.48Å | 1.49Å | |
| C16 | C22 | sing | 1.39Å | 1.39Å | Aromatic |
| C19 | C18 | sing | 1.48Å | 1.49Å | |
| C19 | O8 | sing | 1.35Å | 1.22Å | |
| C2 | CA | sing | 1.53Å | 1.52Å | |
| C18 | C20 | doub | 1.40Å | 1.39Å | Aromatic |
| N | CA | sing | 1.47Å | 1.45Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C21 | sing | 1.38Å | 1.39Å | Aromatic |
| CA | C | sing | 1.51Å | 1.53Å | |
| C13 | N3 | sing | 1.47Å | 1.46Å | |
| C10 | O5 | doub | 1.21Å | 1.21Å | |
| C10 | O6 | sing | 1.35Å | 1.22Å | |
| C | O | doub | 1.21Å | 1.23Å | |
| C11 | H1 | sing | 1.09Å | 1.10Å | |
| C17 | H2 | sing | 1.08Å | 1.08Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| O6 | H4 | sing | 0.97Å | 0.95Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| O4 | H6 | sing | 0.97Å | 0.95Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C12 | H9 | sing | 1.09Å | 1.10Å | |
| C21 | H10 | sing | 1.08Å | 1.08Å | |
| C22 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H12 | sing | 1.08Å | 1.08Å | |
| C7 | H13 | sing | 1.09Å | 1.10Å | |
| C7 | H14 | sing | 1.09Å | 1.10Å | |
| C7 | H15 | sing | 1.09Å | 1.10Å | |
| C8 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| C13 | H18 | sing | 1.09Å | 1.10Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| CA | H20 | sing | 1.09Å | 1.10Å | |
| C | H21 | sing | 1.08Å | 1.08Å | |
| N | H22 | sing | 1.01Å | 1.00Å | |
| N | H23 | sing | 1.01Å | 1.00Å | |
| N3 | H25 | sing | 1.01Å | 1.00Å | |
| N4 | H27 | sing | 0.97Å | 1.00Å | |
| O8 | H28 | sing | 0.97Å | 0.95Å | |
| C23 | H29 | sing | 1.09Å | 1.10Å | |
| C23 | H30 | sing | 1.09Å | 1.10Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C25 | H33 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C7 | C6 | O4 | 107.8° | 109.5° |
| C7 | C6 | C5 | 115.1° | 109.5° |
| C7 | C6 | H3 | 108.1° | 109.5° |
| C6 | C7 | H13 | 109.5° | 109.5° |
| C6 | C7 | H14 | 109.5° | 109.5° |
| C6 | C7 | H15 | 109.5° | 109.5° |
| O4 | C6 | C5 | 108.6° | 109.4° |
| O4 | C6 | H3 | 109.3° | 109.4° |
| C6 | O4 | H6 | 109.5° | 114.0° |
| C6 | C5 | C8 | 114.4° | 109.5° |
| C6 | C5 | C1 | 109.6° | 109.5° |
| C5 | C6 | H3 | 107.8° | 109.5° |
| C6 | C5 | H5 | 106.2° | 109.5° |
| C25 | C24 | C8 | 117.7° | 111.2° |
| C25 | C24 | C11 | 109.9° | 111.1° |
| C25 | C24 | H31 | 108.7° | 111.0° |
| C24 | C25 | H32 | 109.5° | 109.4° |
| C24 | C25 | H33 | 109.5° | 109.5° |
| C24 | C25 | H34 | 109.5° | 109.5° |
| C8 | C24 | C11 | 102.7° | 100.9° |
| C24 | C8 | C5 | 117.4° | 110.3° |
| C24 | C8 | N2 | 101.9° | 105.0° |
| C24 | C8 | H16 | 108.2° | 110.4° |
| C8 | C24 | H31 | 108.4° | 111.1° |
| C24 | C11 | S1 | 122.0° | 110.7° |
| C24 | C11 | C9 | 110.8° | 103.7° |
| C24 | C11 | H1 | 90.7° | 110.6° |
| C11 | C24 | H31 | 109.0° | 111.2° |
| O9 | C15 | N4 | 123.8° | 120.0° |
| O9 | C15 | C14 | 122.0° | 120.0° |
| C8 | C5 | C1 | 113.3° | 109.5° |
| C5 | C8 | N2 | 111.3° | 110.3° |
| C8 | C5 | H5 | 106.3° | 109.4° |
| C5 | C8 | H16 | 108.4° | 110.3° |
| C5 | C1 | O1 | 121.3° | 120.0° |
| C5 | C1 | O2 | 114.3° | 120.0° |
| C1 | C5 | H5 | 106.4° | 109.5° |
| C8 | N2 | C9 | 114.1° | 112.5° |
| N2 | C8 | H16 | 109.3° | 110.3° |
| C11 | S1 | C12 | 104.5° | 103.0° |
| S1 | C11 | C9 | 127.2° | 110.6° |
| S1 | C11 | H1 | 90.6° | 110.5° |
| S1 | C12 | C23 | 111.3° | 110.8° |
| S1 | C12 | C13 | 111.9° | 110.7° |
| S1 | C12 | H9 | 106.8° | 110.7° |
| C11 | C9 | N2 | 109.4° | 111.3° |
| C11 | C9 | C10 | 127.8° | 124.4° |
| C9 | C11 | H1 | 90.7° | 110.6° |
| N4 | C15 | C14 | 114.2° | 120.0° |
| C15 | N4 | C16 | 128.2° | 120.0° |
| C15 | N4 | H27 | 115.9° | 120.0° |
| C15 | C14 | C23 | 112.1° | 110.3° |
| C15 | C14 | N3 | 111.7° | 110.4° |
| C15 | C14 | H19 | 109.7° | 110.3° |
| O1 | C1 | O2 | 124.3° | 120.0° |
| C1 | O2 | C2 | 119.7° | 117.0° |
| C14 | C23 | C12 | 106.5° | 101.6° |
| C23 | C14 | N3 | 103.1° | 104.8° |
| C23 | C14 | H19 | 109.5° | 110.5° |
| C14 | C23 | H29 | 110.2° | 111.0° |
| C14 | C23 | H30 | 110.2° | 111.0° |
| C23 | C12 | C13 | 106.4° | 103.0° |
| C23 | C12 | H9 | 110.1° | 110.7° |
| C12 | C23 | H29 | 110.2° | 110.9° |
| C12 | C23 | H30 | 110.2° | 111.0° |
| O2 | C2 | CA | 109.8° | 109.5° |
| O2 | C2 | H7 | 109.4° | 109.5° |
| O2 | C2 | H8 | 109.4° | 109.5° |
| N2 | C9 | C10 | 122.6° | 124.4° |
| O7 | C19 | C18 | 114.7° | 120.0° |
| O7 | C19 | O8 | 123.4° | 120.0° |
| N4 | C16 | C17 | 121.9° | 120.0° |
| N4 | C16 | C22 | 118.7° | 120.0° |
| C16 | N4 | H27 | 115.9° | 120.0° |
| C14 | N3 | C13 | 109.8° | 108.6° |
| N3 | C14 | H19 | 110.6° | 110.4° |
| C14 | N3 | H25 | 109.4° | 110.9° |
| C16 | C17 | C18 | 120.5° | 119.8° |
| C17 | C16 | C22 | 119.4° | 120.0° |
| C16 | C17 | H2 | 119.8° | 120.1° |
| C17 | C18 | C19 | 119.8° | 120.1° |
| C17 | C18 | C20 | 119.5° | 119.7° |
| C18 | C17 | H2 | 119.8° | 120.1° |
| C12 | C13 | N3 | 104.3° | 107.2° |
| C13 | C12 | H9 | 110.3° | 110.7° |
| C12 | C13 | H17 | 110.8° | 109.9° |
| C12 | C13 | H18 | 110.8° | 109.9° |
| C9 | C10 | O5 | 117.5° | 120.0° |
| C9 | C10 | O6 | 117.2° | 120.0° |
| C16 | C22 | C21 | 120.0° | 120.2° |
| C16 | C22 | H11 | 120.0° | 119.9° |
| C18 | C19 | O8 | 122.0° | 120.0° |
| C19 | C18 | C20 | 120.7° | 120.1° |
| C19 | O8 | H28 | 109.5° | 117.0° |
| C2 | CA | N | 112.0° | 109.5° |
| C2 | CA | C | 113.5° | 109.5° |
| CA | C2 | H7 | 109.4° | 109.4° |
| CA | C2 | H8 | 109.4° | 109.5° |
| C2 | CA | H20 | 104.2° | 109.5° |
| C18 | C20 | C21 | 120.1° | 120.0° |
| C18 | C20 | H12 | 120.0° | 120.0° |
| N | CA | C | 116.6° | 109.5° |
| N | CA | H20 | 104.9° | 109.5° |
| CA | N | H22 | 109.5° | 111.0° |
| CA | N | H23 | 109.5° | 111.0° |
| C22 | C21 | C20 | 120.5° | 120.2° |
| C22 | C21 | H10 | 119.7° | 119.9° |
| C21 | C22 | H11 | 120.0° | 119.9° |
| C20 | C21 | H10 | 119.8° | 119.9° |
| C21 | C20 | H12 | 119.9° | 120.0° |
| CA | C | O | 122.3° | 120.0° |
| C | CA | H20 | 104.1° | 109.5° |
| CA | C | H21 | 118.9° | 120.0° |
| N3 | C13 | H17 | 110.8° | 109.9° |
| N3 | C13 | H18 | 110.8° | 109.9° |
| C13 | N3 | H25 | 109.4° | 111.0° |
| O5 | C10 | O6 | 125.3° | 120.0° |
| C10 | O6 | H4 | 109.5° | 117.0° |
| O | C | H21 | 118.8° | 120.0° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H13 | C7 | H14 | 109.5° | 109.4° |
| H13 | C7 | H15 | 109.5° | 109.5° |
| H14 | C7 | H15 | 109.5° | 109.4° |
| H17 | C13 | H18 | 109.5° | 110.0° |
| H22 | N | H23 | 109.4° | 111.0° |
| H29 | C23 | H30 | 109.4° | 110.9° |
| H32 | C25 | H33 | 109.4° | 109.5° |
| H32 | C25 | H34 | 109.5° | 109.4° |
| H33 | C25 | H34 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C7 | C6 | O4 | C5 | 125.4° | 120.0° |
| C7 | C6 | O4 | H3 | 117.3° | 120.0° |
| C7 | C6 | C5 | H3 | 120.8° | 120.1° |
| C7 | C6 | C5 | C8 | 38.6° | 65.4° |
| C7 | C6 | C5 | C1 | 167.2° | 174.5° |
| C7 | C6 | C5 | H5 | 78.3° | 54.5° |
| C7 | C6 | O4 | H6 | 180.0° | 52.3° |
| C6 | C7 | H13 | H14 | 120.0° | 120.0° |
| C6 | C7 | H13 | H15 | 120.0° | 120.1° |
| C6 | C7 | H14 | H15 | 120.0° | 120.0° |
| O4 | C6 | C5 | H3 | 118.3° | 120.0° |
| O4 | C6 | C5 | C8 | 82.3° | 54.5° |
| O4 | C6 | C5 | C1 | 46.2° | 65.5° |
| O4 | C6 | C5 | H5 | 160.8° | 174.5° |
| O4 | C6 | C7 | H13 | 180.0° | 60.1° |
| O4 | C6 | C7 | H14 | 60.0° | 180.0° |
| O4 | C6 | C7 | H15 | 60.0° | 60.0° |
| C6 | C5 | C8 | C24 | 89.8° | 175.5° |
| C6 | C5 | C8 | C1 | 126.6° | 120.0° |
| C6 | C5 | C8 | H5 | 116.9° | 120.0° |
| C6 | C5 | C1 | H5 | 114.4° | 120.0° |
| C6 | C5 | C8 | N2 | 153.4° | 68.9° |
| C6 | C5 | C1 | O1 | 92.4° | 82.7° |
| C6 | C5 | C1 | O2 | 90.7° | 97.3° |
| C5 | C6 | O4 | H6 | 54.6° | 67.6° |
| C5 | C6 | C7 | H13 | 58.6° | 180.0° |
| C5 | C6 | C7 | H14 | 61.4° | 60.0° |
| C5 | C6 | C7 | H15 | 178.6° | 59.9° |
| C6 | C5 | C8 | H16 | 33.1° | 53.2° |
| C25 | C24 | C8 | C11 | 120.9° | 117.9° |
| C25 | C24 | C8 | H31 | 123.8° | 124.2° |
| C25 | C24 | C11 | H31 | 119.0° | 124.2° |
| C25 | C24 | C8 | C5 | 5.0° | 24.9° |
| C25 | C24 | C8 | N2 | 126.8° | 93.9° |
| C25 | C24 | C11 | S1 | 55.8° | 147.0° |
| C25 | C24 | C11 | C9 | 126.3° | 94.4° |
| C25 | C24 | C11 | H1 | 35.3° | 24.2° |
| C25 | C24 | C8 | H16 | 118.0° | 147.2° |
| C24 | C25 | H32 | H33 | 120.0° | 120.0° |
| C24 | C25 | H32 | H34 | 120.0° | 119.9° |
| C24 | C25 | H33 | H34 | 120.0° | 120.0° |
| C8 | C24 | C11 | H31 | 114.8° | 117.9° |
| C24 | C8 | C5 | N2 | 116.8° | 115.6° |
| C24 | C8 | C5 | H16 | 123.0° | 122.3° |
| C24 | C8 | C5 | C1 | 143.5° | 64.4° |
| C24 | C8 | N2 | H16 | 114.4° | 119.0° |
| C8 | C24 | C11 | S1 | 178.0° | 95.1° |
| C8 | C24 | C11 | C9 | 0.1° | 23.5° |
| C24 | C8 | N2 | C9 | 10.7° | 16.2° |
| C8 | C24 | C11 | H1 | 90.9° | 142.1° |
| C24 | C8 | C5 | H5 | 27.0° | 55.6° |
| C8 | C24 | C25 | H32 | 180.0° | 62.0° |
| C8 | C24 | C25 | H33 | 60.0° | 177.9° |
| C8 | C24 | C25 | H34 | 60.0° | 57.9° |
| C11 | C24 | C8 | C5 | 115.9° | 142.8° |
| C11 | C24 | C8 | N2 | 5.9° | 24.0° |
| C24 | C11 | S1 | C9 | 177.5° | 114.4° |
| C24 | C11 | S1 | H1 | 91.1° | 122.8° |
| C24 | C11 | S1 | C12 | 126.8° | 179.1° |
| C24 | C11 | C9 | H1 | 91.0° | 118.6° |
| C24 | C11 | C9 | N2 | 6.5° | 15.9° |
| C24 | C11 | C9 | C10 | 178.3° | 164.1° |
| C11 | C24 | C8 | H16 | 121.0° | 94.9° |
| C11 | C24 | C25 | H32 | 62.9° | 49.5° |
| C11 | C24 | C25 | H33 | 177.1° | 70.6° |
| C11 | C24 | C25 | H34 | 57.1° | 169.4° |
| O9 | C15 | N4 | C14 | 179.7° | 179.9° |
| O9 | C15 | C14 | C23 | 29.7° | 96.8° |
| O9 | C15 | N4 | C16 | 70.6° | 6.4° |
| O9 | C15 | C14 | N3 | 144.8° | 18.5° |
| O9 | C15 | C14 | H19 | 92.2° | 140.8° |
| O9 | C15 | N4 | H27 | 109.5° | 173.5° |
| C8 | C5 | C1 | H5 | 116.5° | 120.0° |
| C5 | C8 | N2 | H16 | 119.8° | 122.1° |
| C8 | C5 | C1 | O1 | 138.5° | 37.3° |
| C8 | C5 | C1 | O2 | 38.4° | 142.7° |
| C5 | C8 | N2 | C9 | 115.2° | 135.1° |
| C8 | C5 | C6 | H3 | 159.4° | 174.5° |
| C5 | C8 | C24 | H31 | 128.8° | 99.3° |
| C1 | C5 | C8 | N2 | 26.8° | 51.2° |
| C5 | C1 | O1 | O2 | 176.6° | 180.0° |
| C5 | C1 | O2 | C2 | 146.9° | 180.0° |
| C1 | C5 | C6 | H3 | 72.0° | 54.4° |
| C1 | C5 | C8 | H16 | 93.5° | 173.3° |
| C8 | N2 | C9 | C11 | 11.2° | 0.1° |
| C8 | N2 | C9 | C10 | 173.3° | 179.9° |
| N2 | C8 | C5 | H5 | 89.7° | 171.2° |
| N2 | C8 | C24 | H31 | 109.4° | 141.9° |
| S1 | C11 | C9 | H1 | 91.3° | 122.8° |
| C11 | S1 | C12 | C23 | 114.0° | 179.9° |
| S1 | C11 | C9 | N2 | 171.2° | 102.8° |
| C11 | S1 | C12 | C13 | 127.0° | 66.5° |
| S1 | C11 | C9 | C10 | 3.9° | 77.2° |
| C11 | S1 | C12 | H9 | 6.2° | 56.7° |
| S1 | C11 | C24 | H31 | 63.2° | 22.8° |
| C12 | S1 | C11 | C9 | 50.8° | 66.5° |
| S1 | C12 | C23 | C14 | 119.7° | 154.1° |
| S1 | C12 | C23 | C13 | 122.2° | 118.4° |
| S1 | C12 | C23 | H9 | 118.2° | 123.2° |
| S1 | C12 | C13 | H9 | 118.7° | 123.1° |
| S1 | C12 | C13 | N3 | 138.0° | 140.8° |
| C12 | S1 | C11 | H1 | 142.1° | 56.3° |
| S1 | C12 | C13 | H17 | 18.8° | 21.4° |
| S1 | C12 | C13 | H18 | 102.8° | 99.7° |
| S1 | C12 | C23 | H29 | 0.2° | 87.9° |
| S1 | C12 | C23 | H30 | 120.7° | 36.0° |
| C11 | C9 | N2 | C10 | 175.4° | 180.0° |
| C11 | C9 | C10 | O5 | 44.2° | 0.0° |
| C11 | C9 | C10 | O6 | 136.1° | 180.0° |
| C9 | C11 | C24 | H31 | 114.7° | 141.4° |
| N4 | C15 | C14 | C23 | 150.6° | 83.2° |
| C15 | N4 | C16 | H27 | 180.0° | 179.9° |
| N4 | C15 | C14 | N3 | 35.5° | 161.5° |
| C15 | N4 | C16 | C17 | 14.8° | 32.1° |
| C15 | N4 | C16 | C22 | 166.7° | 147.9° |
| N4 | C15 | C14 | H19 | 87.4° | 39.1° |
| C15 | C14 | C23 | N3 | 120.3° | 118.8° |
| C15 | C14 | C23 | H19 | 122.0° | 122.3° |
| C15 | C14 | C23 | C12 | 100.1° | 156.0° |
| C14 | C15 | N4 | C16 | 109.8° | 173.5° |
| C15 | C14 | N3 | H19 | 122.4° | 122.3° |
| C15 | C14 | N3 | C13 | 88.6° | 142.9° |
| C15 | C14 | N3 | H25 | 151.3° | 94.8° |
| C14 | C15 | N4 | H27 | 70.2° | 6.5° |
| C15 | C14 | C23 | H29 | 19.4° | 86.1° |
| C15 | C14 | C23 | H30 | 140.3° | 37.8° |
| O1 | C1 | O2 | C2 | 36.3° | 0.0° |
| O1 | C1 | C5 | H5 | 22.1° | 157.3° |
| C1 | O2 | C2 | CA | 55.6° | 180.0° |
| O2 | C1 | C5 | H5 | 154.9° | 22.7° |
| C1 | O2 | C2 | H7 | 64.5° | 60.0° |
| C1 | O2 | C2 | H8 | 175.6° | 60.0° |
| C14 | C23 | C12 | H29 | 119.5° | 118.0° |
| C14 | C23 | C12 | H30 | 119.5° | 118.1° |
| C23 | C14 | N3 | H19 | 117.0° | 119.0° |
| C14 | C23 | C12 | C13 | 2.5° | 35.7° |
| C23 | C14 | N3 | C13 | 32.0° | 24.2° |
| C14 | C23 | C12 | H9 | 122.0° | 82.7° |
| C23 | C14 | N3 | H25 | 88.1° | 146.4° |
| C14 | C23 | H29 | H30 | 121.4° | 123.9° |
| C12 | C23 | C14 | N3 | 20.1° | 37.1° |
| C23 | C12 | C13 | H9 | 119.5° | 118.4° |
| C23 | C12 | C13 | N3 | 16.2° | 22.3° |
| C23 | C12 | C13 | H17 | 103.0° | 97.1° |
| C23 | C12 | C13 | H18 | 135.4° | 141.7° |
| C12 | C23 | C14 | H19 | 137.9° | 81.8° |
| C12 | C23 | H29 | H30 | 121.4° | 123.9° |
| O2 | C2 | CA | H7 | 120.0° | 120.0° |
| O2 | C2 | CA | H8 | 120.1° | 120.0° |
| O2 | C2 | CA | N | 84.1° | 65.0° |
| O2 | C2 | CA | C | 141.3° | 175.0° |
| O2 | C2 | H7 | H8 | 119.9° | 120.0° |
| O2 | C2 | CA | H20 | 28.7° | 55.0° |
| N2 | C9 | C10 | O5 | 141.2° | 180.0° |
| N2 | C9 | C10 | O6 | 38.5° | 0.0° |
| N2 | C9 | C11 | H1 | 97.5° | 134.5° |
| C9 | N2 | C8 | H16 | 125.1° | 102.8° |
| O7 | C19 | C18 | C17 | 143.7° | 0.3° |
| O7 | C19 | C18 | O8 | 180.0° | 180.0° |
| O7 | C19 | C18 | C20 | 36.7° | 180.0° |
| O7 | C19 | O8 | H28 | 0.0° | 0.0° |
| N4 | C16 | C17 | C22 | 178.5° | 179.9° |
| N4 | C16 | C17 | C18 | 179.6° | 179.9° |
| N4 | C16 | C22 | C21 | 179.5° | 180.0° |
| N4 | C16 | C17 | H2 | 0.4° | 0.0° |
| N4 | C16 | C22 | H11 | 0.4° | 0.0° |
| C14 | N3 | C13 | C12 | 30.7° | 1.0° |
| C14 | N3 | C13 | H25 | 120.1° | 122.2° |
| C14 | N3 | C13 | H17 | 88.4° | 120.4° |
| C14 | N3 | C13 | H18 | 149.9° | 118.4° |
| N3 | C14 | C23 | H29 | 139.7° | 155.1° |
| N3 | C14 | C23 | H30 | 99.4° | 81.0° |
| C16 | C17 | C18 | H2 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 179.5° | 179.7° |
| C16 | C17 | C18 | C20 | 0.9° | 0.0° |
| C17 | C16 | C22 | C21 | 1.0° | 0.0° |
| C17 | C16 | C22 | H11 | 179.0° | 180.0° |
| C17 | C16 | N4 | H27 | 165.1° | 148.0° |
| C18 | C17 | C16 | C22 | 1.2° | 0.0° |
| C17 | C18 | C19 | C20 | 179.6° | 179.7° |
| C17 | C18 | C19 | O8 | 36.3° | 179.7° |
| C17 | C18 | C20 | C21 | 0.4° | 0.0° |
| C17 | C18 | C20 | H12 | 179.6° | 180.0° |
| C12 | C13 | N3 | H17 | 119.2° | 119.4° |
| C12 | C13 | N3 | H18 | 119.2° | 119.4° |
| C12 | C13 | H17 | H18 | 122.4° | 121.1° |
| C12 | C13 | N3 | H25 | 89.4° | 123.3° |
| C13 | C12 | C23 | H29 | 122.0° | 153.7° |
| C13 | C12 | C23 | H30 | 117.0° | 82.4° |
| C9 | C10 | O5 | O6 | 179.7° | 180.0° |
| C10 | C9 | C11 | H1 | 87.3° | 45.5° |
| C9 | C10 | O6 | H4 | 179.6° | 180.0° |
| C16 | C22 | C21 | H11 | 180.0° | 180.0° |
| C16 | C22 | C21 | C20 | 0.6° | 0.0° |
| C22 | C16 | C17 | H2 | 178.9° | 179.9° |
| C16 | C22 | C21 | H10 | 179.5° | 179.9° |
| C22 | C16 | N4 | H27 | 13.4° | 32.0° |
| C19 | C18 | C20 | C21 | 179.9° | 179.7° |
| C19 | C18 | C17 | H2 | 0.5° | 0.2° |
| C19 | C18 | C20 | H12 | 0.1° | 0.3° |
| C18 | C19 | O8 | H28 | 180.0° | 180.0° |
| O8 | C19 | C18 | C20 | 143.3° | 0.0° |
| C2 | CA | N | C | 133.1° | 120.0° |
| C2 | CA | N | H20 | 112.4° | 120.0° |
| C2 | CA | C | H20 | 112.6° | 120.0° |
| C2 | CA | C | O | 6.0° | 120.0° |
| CA | C2 | H7 | H8 | 119.9° | 120.0° |
| C2 | CA | C | H21 | 174.1° | 60.0° |
| C2 | CA | N | H22 | 180.0° | 64.0° |
| C2 | CA | N | H23 | 60.0° | 60.0° |
| C18 | C20 | C21 | C22 | 0.3° | 0.0° |
| C18 | C20 | C21 | H12 | 180.0° | 180.0° |
| C20 | C18 | C17 | H2 | 179.2° | 179.9° |
| C18 | C20 | C21 | H10 | 179.7° | 179.9° |
| N | CA | C | H20 | 115.0° | 120.1° |
| N | CA | C | O | 126.4° | 0.0° |
| N | CA | C2 | H7 | 35.9° | 55.0° |
| N | CA | C2 | H8 | 155.9° | 175.0° |
| N | CA | C | H21 | 53.5° | 180.0° |
| CA | N | H22 | H23 | 120.0° | 124.0° |
| C22 | C21 | C20 | H10 | 180.0° | 179.9° |
| C22 | C21 | C20 | H12 | 179.7° | 180.0° |
| C20 | C21 | C22 | H11 | 179.4° | 180.0° |
| CA | C | O | H21 | 180.0° | 180.0° |
| C | CA | C2 | H7 | 98.6° | 65.0° |
| C | CA | C2 | H8 | 21.3° | 55.0° |
| C | CA | N | H22 | 47.0° | 176.0° |
| C | CA | N | H23 | 166.9° | 60.0° |
| N3 | C13 | C12 | H9 | 103.2° | 96.1° |
| N3 | C13 | H17 | H18 | 122.4° | 121.2° |
| C13 | N3 | C14 | H19 | 149.0° | 94.8° |
| O5 | C10 | O6 | H4 | 0.0° | 0.0° |
| O | C | CA | H20 | 118.6° | 120.0° |
| H1 | C11 | C24 | H31 | 154.3° | 100.0° |
| H3 | C6 | C5 | H5 | 42.5° | 65.6° |
| H3 | C6 | O4 | H6 | 62.7° | 172.4° |
| H3 | C6 | C7 | H13 | 62.0° | 59.9° |
| H3 | C6 | C7 | H14 | 178.0° | 60.0° |
| H3 | C6 | C7 | H15 | 58.1° | 180.0° |
| H5 | C5 | C8 | H16 | 150.0° | 66.7° |
| H7 | C2 | CA | H20 | 148.8° | 175.1° |
| H8 | C2 | CA | H20 | 91.3° | 65.0° |
| H9 | C12 | C13 | H17 | 137.6° | 144.5° |
| H9 | C12 | C13 | H18 | 15.9° | 23.4° |
| H9 | C12 | C23 | H29 | 118.4° | 35.3° |
| H9 | C12 | C23 | H30 | 2.5° | 159.2° |
| H10 | C21 | C22 | H11 | 0.6° | 0.1° |
| H10 | C21 | C20 | H12 | 0.2° | 0.1° |
| H13 | C7 | H14 | H15 | 120.0° | 120.0° |
| H16 | C8 | C24 | H31 | 5.8° | 23.0° |
| H17 | C13 | N3 | H25 | 151.5° | 117.4° |
| H18 | C13 | N3 | H25 | 29.8° | 3.8° |
| H19 | C14 | N3 | H25 | 28.9° | 27.5° |
| H19 | C14 | C23 | H29 | 102.6° | 36.2° |
| H19 | C14 | C23 | H30 | 18.3° | 160.1° |
| H20 | CA | C | H21 | 61.4° | 60.0° |
| H20 | CA | N | H22 | 67.6° | 56.0° |
| H20 | CA | N | H23 | 52.4° | 180.0° |
| H31 | C24 | C25 | H32 | 56.3° | 173.7° |
| H31 | C24 | C25 | H33 | 63.7° | 53.7° |
| H31 | C24 | C25 | H34 | 176.3° | 66.4° |
| H32 | C25 | H33 | H34 | 120.0° | 120.0° |
