E5I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O37 | C6 | sing | 1.43Å | 1.43Å | |
| N3 | C4 | sing | 1.47Å | 1.42Å | |
| N3 | C2 | sing | 1.35Å | 1.34Å | |
| C4 | C6 | sing | 1.53Å | 1.52Å | |
| C4 | C5 | sing | 1.52Å | 1.49Å | |
| C6 | C10 | sing | 1.53Å | 1.53Å | |
| O9 | C2 | doub | 1.22Å | 1.22Å | |
| C2 | C1 | sing | 1.46Å | 1.48Å | |
| C5 | O26 | doub | 1.21Å | 1.22Å | |
| C5 | C1 | sing | 1.42Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.52Å | |
| C1 | C7 | doub | 1.40Å | 1.39Å | |
| C11 | N12 | sing | 1.49Å | 1.46Å | |
| C7 | O8 | sing | 1.34Å | 1.34Å | |
| C7 | C24 | sing | 1.46Å | 1.44Å | |
| N12 | C13 | sing | 1.37Å | 1.34Å | |
| C24 | C23 | doub | 1.33Å | 1.31Å | |
| C13 | O25 | doub | 1.22Å | 1.24Å | |
| C13 | C14 | sing | 1.47Å | 1.48Å | |
| C14 | C15 | doub | 1.33Å | 1.33Å | |
| C23 | C22 | sing | 1.51Å | 1.48Å | |
| C15 | C16 | sing | 1.51Å | 1.50Å | |
| C22 | C21 | sing | 1.52Å | 1.53Å | |
| C22 | C17 | sing | 1.53Å | 1.54Å | |
| C21 | C20 | sing | 1.51Å | 1.50Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C17 | C18 | sing | 1.51Å | 1.53Å | |
| O36 | C20 | doub | 1.21Å | 1.21Å | |
| C20 | C19 | sing | 1.49Å | 1.51Å | |
| C18 | C19 | sing | 1.56Å | 1.53Å | |
| C18 | C27 | sing | 1.53Å | 1.51Å | |
| C19 | C29 | sing | 1.53Å | 1.52Å | |
| C27 | C28 | sing | 1.55Å | 1.54Å | |
| C29 | C28 | sing | 1.55Å | 1.54Å | |
| C29 | C32 | sing | 1.53Å | 1.54Å | |
| C28 | C30 | sing | 1.53Å | 1.53Å | |
| C35 | C32 | sing | 1.53Å | 1.52Å | |
| C32 | C31 | sing | 1.53Å | 1.54Å | |
| C30 | C31 | sing | 1.53Å | 1.53Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.47Å | |
| C10 | H10B | sing | 1.09Å | 1.10Å | |
| C10 | H10A | sing | 1.09Å | 1.10Å | |
| C11 | H11A | sing | 1.09Å | 1.10Å | |
| C11 | H11B | sing | 1.09Å | 1.10Å | |
| C14 | HC14 | sing | 1.08Å | 1.08Å | |
| C15 | HC15 | sing | 1.08Å | 1.08Å | |
| C16 | H16A | sing | 1.09Å | 1.10Å | |
| C16 | H16B | sing | 1.09Å | 1.10Å | |
| C17 | HC17 | sing | 1.09Å | 1.10Å | |
| C18 | HC18 | sing | 1.09Å | 1.10Å | |
| C19 | HC19 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C21 | H21B | sing | 1.09Å | 1.10Å | |
| C22 | HC22 | sing | 1.09Å | 1.10Å | |
| C23 | HC23 | sing | 1.08Å | 1.08Å | |
| C24 | HC24 | sing | 1.08Å | 1.08Å | |
| C27 | H27B | sing | 1.09Å | 1.10Å | |
| C27 | H27A | sing | 1.09Å | 1.10Å | |
| C28 | HC28 | sing | 1.09Å | 1.10Å | |
| C29 | HC29 | sing | 1.09Å | 1.10Å | |
| C30 | H30B | sing | 1.09Å | 1.10Å | |
| C30 | H30A | sing | 1.09Å | 1.10Å | |
| C31 | HC31 | sing | 1.09Å | 1.10Å | |
| C32 | HC32 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34C | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| C35 | H35C | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C4 | HC4 | sing | 1.08Å | 1.10Å | |
| C6 | HC6 | sing | 1.09Å | 1.10Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| O37 | HO37 | sing | 0.97Å | 0.95Å | |
| O8 | HO8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O37 | C6 | C4 | 113.7° | 109.6° |
| O37 | C6 | C10 | 109.4° | 109.6° |
| O37 | C6 | HC6 | 107.3° | 109.6° |
| C6 | O37 | HO37 | 109.5° | 114.0° |
| C4 | N3 | C2 | 117.5° | 109.0° |
| N3 | C4 | C6 | 117.8° | 110.3° |
| N3 | C4 | C5 | 101.3° | 105.9° |
| N3 | C4 | HC4 | 107.4° | 110.6° |
| C4 | N3 | HN3 | 121.2° | 125.5° |
| N3 | C2 | O9 | 125.6° | 124.8° |
| N3 | C2 | C1 | 103.5° | 110.4° |
| C2 | N3 | HN3 | 121.3° | 125.5° |
| C6 | C4 | C5 | 116.6° | 109.2° |
| C4 | C6 | C10 | 113.4° | 108.9° |
| C6 | C4 | HC4 | 106.3° | 110.4° |
| C4 | C6 | HC6 | 106.2° | 109.6° |
| C4 | C5 | O26 | 123.7° | 127.3° |
| C4 | C5 | C1 | 107.2° | 105.2° |
| C5 | C4 | HC4 | 106.7° | 110.4° |
| C6 | C10 | C11 | 116.7° | 109.6° |
| C6 | C10 | H10B | 107.7° | 109.4° |
| C6 | C10 | H10A | 107.6° | 109.4° |
| C10 | C6 | HC6 | 106.2° | 109.6° |
| O9 | C2 | C1 | 130.8° | 124.8° |
| C2 | C1 | C5 | 108.5° | 108.0° |
| C2 | C1 | C7 | 126.3° | 127.5° |
| O26 | C5 | C1 | 129.1° | 127.4° |
| C5 | C1 | C7 | 125.1° | 124.5° |
| C10 | C11 | N12 | 111.9° | 108.0° |
| C11 | C10 | H10B | 107.6° | 109.5° |
| C11 | C10 | H10A | 107.6° | 109.5° |
| C10 | C11 | H11A | 108.9° | 109.8° |
| C10 | C11 | H11B | 108.9° | 109.7° |
| C1 | C7 | O8 | 120.0° | 120.8° |
| C1 | C7 | C24 | 123.7° | 118.6° |
| C11 | N12 | C13 | 122.5° | 114.5° |
| N12 | C11 | H11A | 108.8° | 109.8° |
| N12 | C11 | H11B | 108.9° | 109.8° |
| C11 | N12 | HN12 | 118.7° | 122.7° |
| O8 | C7 | C24 | 116.2° | 120.6° |
| C7 | O8 | HO8 | 109.5° | 117.0° |
| C7 | C24 | C23 | 125.7° | 121.0° |
| C7 | C24 | HC24 | 117.1° | 119.2° |
| N12 | C13 | O25 | 121.9° | 120.6° |
| N12 | C13 | C14 | 115.1° | 118.8° |
| C13 | N12 | HN12 | 118.7° | 122.8° |
| C24 | C23 | C22 | 124.8° | 118.6° |
| C24 | C23 | HC23 | 117.6° | 120.6° |
| C23 | C24 | HC24 | 117.1° | 119.8° |
| O25 | C13 | C14 | 123.1° | 120.6° |
| C13 | C14 | C15 | 130.3° | 120.3° |
| C13 | C14 | HC14 | 114.9° | 119.8° |
| C14 | C15 | C16 | 126.7° | 120.3° |
| C15 | C14 | HC14 | 114.9° | 119.9° |
| C14 | C15 | HC15 | 116.7° | 119.7° |
| C23 | C22 | C21 | 104.4° | 109.2° |
| C23 | C22 | C17 | 114.1° | 108.6° |
| C23 | C22 | HC22 | 109.7° | 108.0° |
| C22 | C23 | HC23 | 117.6° | 120.8° |
| C15 | C16 | C17 | 111.4° | 109.7° |
| C16 | C15 | HC15 | 116.7° | 120.0° |
| C15 | C16 | H16A | 109.0° | 109.4° |
| C15 | C16 | H16B | 109.0° | 109.4° |
| C21 | C22 | C17 | 110.7° | 113.7° |
| C22 | C21 | C20 | 104.8° | 113.1° |
| C22 | C21 | H21A | 110.6° | 108.7° |
| C22 | C21 | H21B | 110.6° | 108.6° |
| C21 | C22 | HC22 | 109.0° | 108.8° |
| C22 | C17 | C16 | 113.0° | 109.7° |
| C22 | C17 | C18 | 106.5° | 107.8° |
| C22 | C17 | HC17 | 108.0° | 110.1° |
| C17 | C22 | HC22 | 108.9° | 108.3° |
| C21 | C20 | O36 | 123.8° | 121.4° |
| C21 | C20 | C19 | 113.6° | 117.2° |
| C20 | C21 | H21A | 110.6° | 108.8° |
| C20 | C21 | H21B | 110.6° | 108.8° |
| C16 | C17 | C18 | 113.1° | 110.0° |
| C17 | C16 | H16A | 109.0° | 109.4° |
| C17 | C16 | H16B | 109.0° | 109.4° |
| C16 | C17 | HC17 | 108.0° | 109.7° |
| C17 | C18 | C19 | 106.5° | 106.5° |
| C17 | C18 | C27 | 118.1° | 118.0° |
| C18 | C17 | HC17 | 108.1° | 109.5° |
| C17 | C18 | HC18 | 110.1° | 110.0° |
| O36 | C20 | C19 | 122.2° | 121.4° |
| C20 | C19 | C18 | 111.9° | 106.4° |
| C20 | C19 | C29 | 120.5° | 117.3° |
| C20 | C19 | HC19 | 107.1° | 110.7° |
| C19 | C18 | C27 | 101.3° | 102.0° |
| C18 | C19 | C29 | 102.8° | 101.8° |
| C19 | C18 | HC18 | 110.1° | 109.9° |
| C18 | C19 | HC19 | 106.8° | 110.0° |
| C18 | C27 | C28 | 103.3° | 104.3° |
| C27 | C18 | HC18 | 110.3° | 109.8° |
| C18 | C27 | H27B | 111.0° | 110.5° |
| C18 | C27 | H27A | 111.0° | 110.5° |
| C19 | C29 | C28 | 104.2° | 104.0° |
| C19 | C29 | C32 | 118.9° | 110.4° |
| C29 | C19 | HC19 | 106.9° | 110.1° |
| C19 | C29 | HC29 | 108.9° | 111.7° |
| C27 | C28 | C29 | 106.3° | 106.5° |
| C27 | C28 | C30 | 113.3° | 109.2° |
| C28 | C27 | H27B | 111.0° | 110.5° |
| C28 | C27 | H27A | 111.0° | 110.5° |
| C27 | C28 | HC28 | 111.1° | 111.1° |
| C28 | C29 | C32 | 107.2° | 107.0° |
| C29 | C28 | C30 | 103.4° | 106.9° |
| C29 | C28 | HC28 | 111.1° | 111.2° |
| C28 | C29 | HC29 | 108.6° | 111.8° |
| C29 | C32 | C35 | 115.2° | 109.8° |
| C29 | C32 | C31 | 103.5° | 108.0° |
| C32 | C29 | HC29 | 108.6° | 111.6° |
| C29 | C32 | HC32 | 107.6° | 109.8° |
| C28 | C30 | C31 | 102.2° | 107.8° |
| C30 | C28 | HC28 | 111.2° | 111.6° |
| C28 | C30 | H30B | 111.3° | 109.8° |
| C28 | C30 | H30A | 111.2° | 109.8° |
| C35 | C32 | C31 | 114.7° | 109.8° |
| C35 | C32 | HC32 | 107.8° | 109.8° |
| C32 | C35 | H35C | 109.5° | 109.5° |
| C32 | C35 | H35B | 109.5° | 109.5° |
| C32 | C35 | H35A | 109.5° | 109.5° |
| C32 | C31 | C30 | 101.6° | 107.9° |
| C32 | C31 | C33 | 104.1° | 109.8° |
| C32 | C31 | HC31 | 113.0° | 109.7° |
| C31 | C32 | HC32 | 107.6° | 109.7° |
| C30 | C31 | C33 | 110.5° | 109.8° |
| C31 | C30 | H30B | 111.3° | 109.8° |
| C31 | C30 | H30A | 111.2° | 109.8° |
| C30 | C31 | HC31 | 113.3° | 109.8° |
| C31 | C33 | C34 | 113.9° | 109.5° |
| C33 | C31 | HC31 | 113.3° | 109.7° |
| C31 | C33 | H33A | 108.3° | 109.4° |
| C31 | C33 | H33B | 108.3° | 109.5° |
| C34 | C33 | H33A | 108.3° | 109.4° |
| C34 | C33 | H33B | 108.3° | 109.5° |
| C33 | C34 | H34C | 109.5° | 109.5° |
| C33 | C34 | H34A | 109.5° | 109.5° |
| C33 | C34 | H34B | 109.4° | 109.5° |
| H10B | C10 | H10A | 109.5° | 109.4° |
| H11A | C11 | H11B | 109.5° | 109.8° |
| H16A | C16 | H16B | 109.5° | 109.4° |
| H21A | C21 | H21B | 109.4° | 108.8° |
| H27B | C27 | H27A | 109.5° | 110.4° |
| H30B | C30 | H30A | 109.5° | 109.8° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34C | C34 | H34A | 109.5° | 109.5° |
| H34C | C34 | H34B | 109.5° | 109.4° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| H35C | C35 | H35B | 109.5° | 109.4° |
| H35C | C35 | H35A | 109.4° | 109.5° |
| H35B | C35 | H35A | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O37 | C6 | C4 | N3 | 62.8° | 2.0° |
| O37 | C6 | C4 | C10 | 125.9° | 119.9° |
| O37 | C6 | C4 | HC6 | 117.8° | 120.3° |
| O37 | C6 | C4 | C5 | 176.4° | 118.0° |
| O37 | C6 | C10 | HC6 | 115.6° | 120.4° |
| O37 | C6 | C10 | C11 | 93.5° | 97.1° |
| O37 | C6 | C10 | H10B | 27.6° | 142.8° |
| O37 | C6 | C10 | H10A | 145.5° | 23.0° |
| O37 | C6 | C4 | HC4 | 57.7° | 120.5° |
| C4 | N3 | C2 | HN3 | 180.0° | 180.0° |
| N3 | C4 | C6 | C5 | 120.8° | 116.0° |
| N3 | C4 | C6 | HC4 | 120.5° | 122.6° |
| N3 | C4 | C5 | HC4 | 112.3° | 119.7° |
| N3 | C4 | C6 | C10 | 63.1° | 117.8° |
| C4 | N3 | C2 | O9 | 173.1° | 179.8° |
| C4 | N3 | C2 | C1 | 3.7° | 0.2° |
| N3 | C4 | C5 | O26 | 167.3° | 168.6° |
| N3 | C4 | C5 | C1 | 14.2° | 11.4° |
| N3 | C4 | C6 | HC6 | 179.4° | 122.4° |
| C2 | N3 | C4 | C6 | 117.1° | 110.8° |
| C2 | N3 | C4 | C5 | 11.4° | 7.2° |
| N3 | C2 | O9 | C1 | 175.8° | 179.9° |
| N3 | C2 | C1 | C5 | 6.2° | 7.4° |
| N3 | C2 | C1 | C7 | 171.9° | 173.2° |
| C2 | N3 | C4 | HC4 | 123.0° | 126.8° |
| C6 | C4 | C5 | HC4 | 118.5° | 121.5° |
| C4 | C6 | C10 | HC6 | 116.3° | 119.8° |
| C6 | C4 | C5 | O26 | 63.5° | 72.6° |
| C6 | C4 | C5 | C1 | 115.1° | 107.4° |
| C4 | C6 | C10 | C11 | 138.4° | 143.1° |
| C4 | C6 | C10 | H10B | 100.5° | 23.0° |
| C4 | C6 | C10 | H10A | 17.4° | 96.9° |
| C6 | C4 | N3 | HN3 | 62.9° | 69.2° |
| C4 | C6 | O37 | HO37 | 180.0° | 180.0° |
| C5 | C4 | C6 | C10 | 57.7° | 1.9° |
| C4 | C5 | C1 | C2 | 13.1° | 11.3° |
| C4 | C5 | O26 | C1 | 178.2° | 180.0° |
| C4 | C5 | C1 | C7 | 165.0° | 169.2° |
| C5 | C4 | C6 | HC6 | 58.6° | 121.7° |
| C5 | C4 | N3 | HN3 | 168.6° | 172.8° |
| C6 | C10 | C11 | H10B | 121.1° | 120.1° |
| C6 | C10 | C11 | H10A | 121.0° | 120.0° |
| C6 | C10 | C11 | N12 | 76.2° | 159.2° |
| C6 | C10 | H10B | H10A | 116.7° | 119.9° |
| C6 | C10 | C11 | H11A | 44.2° | 81.2° |
| C6 | C10 | C11 | H11B | 163.5° | 39.5° |
| C10 | C6 | C4 | HC4 | 176.4° | 119.6° |
| C10 | C6 | O37 | HO37 | 52.0° | 60.6° |
| O9 | C2 | C1 | C5 | 177.3° | 172.6° |
| O9 | C2 | C1 | C7 | 4.7° | 6.9° |
| O9 | C2 | N3 | HN3 | 6.9° | 0.2° |
| C2 | C1 | C5 | O26 | 168.4° | 168.7° |
| C2 | C1 | C5 | C7 | 178.1° | 179.4° |
| C2 | C1 | C7 | O8 | 9.6° | 3.5° |
| C2 | C1 | C7 | C24 | 172.8° | 175.0° |
| C1 | C2 | N3 | HN3 | 176.3° | 179.7° |
| O26 | C5 | C1 | C7 | 13.4° | 10.7° |
| O26 | C5 | C4 | HC4 | 55.0° | 48.9° |
| C5 | C1 | C7 | O8 | 172.6° | 175.9° |
| C5 | C1 | C7 | C24 | 5.0° | 5.7° |
| C1 | C5 | C4 | HC4 | 126.4° | 131.1° |
| C10 | C11 | N12 | H11A | 120.4° | 119.6° |
| C10 | C11 | N12 | H11B | 120.4° | 119.6° |
| C10 | C11 | N12 | C13 | 68.1° | 43.8° |
| C11 | C10 | H10B | H10A | 116.7° | 119.9° |
| C10 | C11 | H11A | H11B | 118.9° | 120.7° |
| C11 | C10 | C6 | HC6 | 22.1° | 23.3° |
| C10 | C11 | N12 | HN12 | 111.9° | 136.2° |
| C1 | C7 | O8 | C24 | 177.8° | 178.4° |
| C1 | C7 | C24 | C23 | 175.2° | 161.0° |
| C1 | C7 | C24 | HC24 | 4.8° | 16.7° |
| C1 | C7 | O8 | HO8 | 6.3° | 180.0° |
| C11 | N12 | C13 | HN12 | 180.0° | 179.9° |
| C11 | N12 | C13 | O25 | 5.4° | 3.8° |
| C11 | N12 | C13 | C14 | 173.4° | 176.2° |
| N12 | C11 | C10 | H10B | 162.7° | 80.8° |
| N12 | C11 | C10 | H10A | 44.9° | 39.1° |
| N12 | C11 | H11A | H11B | 118.9° | 120.8° |
| O8 | C7 | C24 | C23 | 7.1° | 17.5° |
| O8 | C7 | C24 | HC24 | 172.9° | 164.8° |
| C7 | C24 | C23 | HC24 | 180.0° | 177.7° |
| C7 | C24 | C23 | C22 | 176.8° | 174.6° |
| C7 | C24 | C23 | HC23 | 3.2° | 5.2° |
| C24 | C7 | O8 | HO8 | 175.9° | 1.6° |
| N12 | C13 | O25 | C14 | 178.7° | 180.0° |
| N12 | C13 | C14 | C15 | 179.7° | 176.7° |
| C13 | N12 | C11 | H11A | 171.5° | 75.8° |
| C13 | N12 | C11 | H11B | 52.2° | 163.4° |
| N12 | C13 | C14 | HC14 | 0.3° | 3.1° |
| C24 | C23 | C22 | HC23 | 180.0° | 179.8° |
| C24 | C23 | C22 | C21 | 136.3° | 137.7° |
| C24 | C23 | C22 | C17 | 102.8° | 97.8° |
| C24 | C23 | C22 | HC22 | 19.6° | 19.4° |
| O25 | C13 | C14 | C15 | 0.9° | 3.4° |
| O25 | C13 | C14 | HC14 | 179.1° | 176.9° |
| O25 | C13 | N12 | HN12 | 174.6° | 176.2° |
| C13 | C14 | C15 | HC14 | 180.0° | 179.8° |
| C13 | C14 | C15 | C16 | 2.1° | 0.8° |
| C13 | C14 | C15 | HC15 | 177.8° | 178.9° |
| C14 | C13 | N12 | HN12 | 6.6° | 3.9° |
| C14 | C15 | C16 | HC15 | 180.0° | 179.7° |
| C14 | C15 | C16 | C17 | 148.7° | 126.7° |
| C14 | C15 | C16 | H16A | 91.1° | 6.7° |
| C14 | C15 | C16 | H16B | 28.4° | 113.2° |
| C23 | C22 | C21 | C17 | 123.2° | 121.5° |
| C23 | C22 | C21 | HC22 | 117.1° | 117.7° |
| C23 | C22 | C17 | HC22 | 122.9° | 117.1° |
| C23 | C22 | C21 | C20 | 174.3° | 83.7° |
| C23 | C22 | C17 | C16 | 49.7° | 101.7° |
| C23 | C22 | C17 | C18 | 174.5° | 138.5° |
| C23 | C22 | C17 | HC17 | 69.7° | 19.1° |
| C23 | C22 | C21 | H21A | 66.4° | 155.4° |
| C23 | C22 | C21 | H21B | 55.1° | 37.2° |
| C22 | C23 | C24 | HC24 | 3.2° | 3.0° |
| C15 | C16 | C17 | C22 | 65.5° | 167.7° |
| C15 | C16 | C17 | H16A | 120.3° | 120.1° |
| C15 | C16 | C17 | H16B | 120.3° | 120.1° |
| C15 | C16 | C17 | C18 | 55.6° | 73.9° |
| C16 | C15 | C14 | HC14 | 177.9° | 179.0° |
| C15 | C16 | H16A | H16B | 119.2° | 119.9° |
| C15 | C16 | C17 | HC17 | 175.2° | 46.6° |
| C21 | C22 | C17 | HC22 | 119.8° | 121.1° |
| C22 | C21 | C20 | H21A | 119.2° | 120.9° |
| C22 | C21 | C20 | H21B | 119.3° | 120.8° |
| C21 | C22 | C17 | C16 | 167.1° | 136.5° |
| C21 | C22 | C17 | C18 | 68.2° | 16.7° |
| C22 | C21 | C20 | O36 | 117.6° | 137.5° |
| C22 | C21 | C20 | C19 | 56.5° | 42.5° |
| C21 | C22 | C17 | HC17 | 47.7° | 102.7° |
| C22 | C21 | H21A | H21B | 122.1° | 118.1° |
| C21 | C22 | C23 | HC23 | 43.7° | 42.5° |
| C17 | C22 | C21 | C20 | 62.5° | 37.9° |
| C22 | C17 | C16 | C18 | 121.1° | 118.5° |
| C22 | C17 | C16 | HC17 | 119.4° | 121.0° |
| C22 | C17 | C18 | HC17 | 115.8° | 119.8° |
| C22 | C17 | C18 | C19 | 62.3° | 70.1° |
| C22 | C17 | C18 | C27 | 175.2° | 176.1° |
| C22 | C17 | C16 | H16A | 174.3° | 47.6° |
| C22 | C17 | C16 | H16B | 54.9° | 72.3° |
| C22 | C17 | C18 | HC18 | 57.0° | 49.0° |
| C17 | C22 | C21 | H21A | 56.8° | 83.1° |
| C17 | C22 | C21 | H21B | 178.2° | 158.7° |
| C17 | C22 | C23 | HC23 | 77.2° | 82.0° |
| C21 | C20 | O36 | C19 | 173.7° | 180.0° |
| C21 | C20 | C19 | C18 | 57.6° | 8.9° |
| C21 | C20 | C19 | C29 | 178.6° | 122.0° |
| C21 | C20 | C19 | HC19 | 59.1° | 110.6° |
| C20 | C21 | H21A | H21B | 122.2° | 118.3° |
| C20 | C21 | C22 | HC22 | 57.2° | 158.7° |
| C16 | C17 | C18 | HC17 | 119.5° | 120.6° |
| C16 | C17 | C18 | C19 | 173.0° | 170.4° |
| C16 | C17 | C18 | C27 | 60.1° | 56.5° |
| C17 | C16 | C15 | HC15 | 31.3° | 53.0° |
| C17 | C16 | H16A | H16B | 119.1° | 119.9° |
| C16 | C17 | C18 | HC18 | 67.7° | 70.6° |
| C16 | C17 | C22 | HC22 | 73.1° | 15.4° |
| C17 | C18 | C19 | C20 | 58.2° | 65.6° |
| C17 | C18 | C19 | C27 | 124.1° | 124.3° |
| C17 | C18 | C19 | HC18 | 119.3° | 119.1° |
| C17 | C18 | C27 | HC18 | 127.7° | 127.2° |
| C17 | C18 | C19 | C29 | 171.1° | 171.0° |
| C17 | C18 | C27 | C28 | 157.6° | 152.8° |
| C18 | C17 | C16 | H16A | 64.7° | 166.1° |
| C18 | C17 | C16 | H16B | 175.9° | 46.2° |
| C17 | C18 | C19 | HC19 | 58.7° | 54.4° |
| C18 | C17 | C22 | HC22 | 51.6° | 104.4° |
| C17 | C18 | C27 | H27B | 83.4° | 88.4° |
| C17 | C18 | C27 | H27A | 38.6° | 34.0° |
| O36 | C20 | C19 | C18 | 116.6° | 171.1° |
| O36 | C20 | C19 | C29 | 4.4° | 58.1° |
| O36 | C20 | C19 | HC19 | 126.6° | 69.4° |
| O36 | C20 | C21 | H21A | 123.1° | 101.6° |
| O36 | C20 | C21 | H21B | 1.6° | 16.7° |
| C20 | C19 | C18 | C29 | 130.8° | 123.4° |
| C20 | C19 | C18 | HC19 | 116.9° | 120.0° |
| C20 | C19 | C18 | C27 | 177.8° | 170.0° |
| C20 | C19 | C29 | HC19 | 122.3° | 127.7° |
| C20 | C19 | C29 | C28 | 158.5° | 153.6° |
| C20 | C19 | C29 | C32 | 82.2° | 91.9° |
| C20 | C19 | C18 | HC18 | 61.1° | 53.5° |
| C19 | C20 | C21 | H21A | 62.7° | 78.4° |
| C19 | C20 | C21 | H21B | 175.8° | 163.3° |
| C20 | C19 | C29 | HC29 | 42.8° | 32.9° |
| C19 | C18 | C27 | HC18 | 116.5° | 116.6° |
| C18 | C19 | C29 | HC19 | 112.3° | 116.6° |
| C19 | C18 | C27 | C28 | 41.8° | 36.6° |
| C18 | C19 | C29 | C28 | 33.2° | 38.0° |
| C18 | C19 | C29 | C32 | 152.4° | 152.5° |
| C19 | C18 | C17 | HC17 | 53.5° | 49.7° |
| C19 | C18 | C27 | H27B | 160.8° | 155.3° |
| C19 | C18 | C27 | H27A | 77.2° | 82.2° |
| C18 | C19 | C29 | HC29 | 82.5° | 82.7° |
| C27 | C18 | C19 | C29 | 47.0° | 46.7° |
| C18 | C27 | C28 | H27B | 119.0° | 118.7° |
| C18 | C27 | C28 | H27A | 119.0° | 118.7° |
| C18 | C27 | C28 | C29 | 21.6° | 13.3° |
| C18 | C27 | C28 | C30 | 134.5° | 128.4° |
| C27 | C18 | C17 | HC17 | 59.4° | 64.1° |
| C27 | C18 | C19 | HC19 | 65.4° | 70.0° |
| C18 | C27 | H27B | H27A | 122.9° | 122.5° |
| C18 | C27 | C28 | HC28 | 99.5° | 108.0° |
| C19 | C29 | C28 | C27 | 7.3° | 15.7° |
| C19 | C29 | C28 | C32 | 126.9° | 116.9° |
| C19 | C29 | C28 | HC29 | 115.9° | 120.6° |
| C19 | C29 | C32 | HC29 | 125.2° | 124.9° |
| C19 | C29 | C28 | C30 | 112.3° | 101.0° |
| C19 | C29 | C32 | C35 | 102.1° | 139.0° |
| C19 | C29 | C32 | C31 | 131.9° | 101.3° |
| C29 | C19 | C18 | HC18 | 69.7° | 69.8° |
| C19 | C29 | C28 | HC28 | 128.3° | 136.9° |
| C19 | C29 | C32 | HC32 | 18.2° | 18.3° |
| C27 | C28 | C29 | C30 | 119.6° | 116.7° |
| C27 | C28 | C29 | HC28 | 121.0° | 121.2° |
| C27 | C28 | C29 | C32 | 134.2° | 132.6° |
| C27 | C28 | C30 | HC28 | 126.0° | 123.3° |
| C27 | C28 | C30 | C31 | 152.8° | 129.5° |
| C28 | C27 | C18 | HC18 | 74.7° | 80.0° |
| C28 | C27 | H27B | H27A | 122.8° | 122.6° |
| C27 | C28 | C29 | HC29 | 108.6° | 104.9° |
| C27 | C28 | C30 | H30B | 88.3° | 110.9° |
| C27 | C28 | C30 | H30A | 34.0° | 9.9° |
| C28 | C29 | C32 | HC29 | 117.2° | 122.6° |
| C29 | C28 | C30 | HC28 | 119.3° | 121.8° |
| C28 | C29 | C32 | C35 | 140.3° | 108.5° |
| C28 | C29 | C32 | C31 | 14.2° | 11.2° |
| C29 | C28 | C30 | C31 | 38.2° | 14.6° |
| C28 | C29 | C19 | HC19 | 79.1° | 78.6° |
| C29 | C28 | C27 | H27B | 140.6° | 132.0° |
| C29 | C28 | C27 | H27A | 97.4° | 105.5° |
| C29 | C28 | C30 | H30B | 157.0° | 134.2° |
| C29 | C28 | C30 | H30A | 80.6° | 105.0° |
| C28 | C29 | C32 | HC32 | 99.5° | 130.8° |
| C32 | C29 | C28 | C30 | 14.6° | 15.9° |
| C29 | C32 | C35 | C31 | 120.0° | 118.6° |
| C29 | C32 | C35 | HC32 | 120.2° | 120.7° |
| C29 | C32 | C31 | HC32 | 113.7° | 119.6° |
| C29 | C32 | C31 | C30 | 37.7° | 2.3° |
| C29 | C32 | C31 | C33 | 152.5° | 117.4° |
| C32 | C29 | C19 | HC19 | 40.1° | 35.8° |
| C32 | C29 | C28 | HC28 | 104.8° | 106.2° |
| C29 | C32 | C31 | HC31 | 84.1° | 121.9° |
| C29 | C32 | C35 | H35C | 180.0° | 60.0° |
| C29 | C32 | C35 | H35B | 60.0° | 180.0° |
| C29 | C32 | C35 | H35A | 60.0° | 60.0° |
| C28 | C30 | C31 | C32 | 47.3° | 7.7° |
| C28 | C30 | C31 | H30B | 118.9° | 119.6° |
| C28 | C30 | C31 | H30A | 118.8° | 119.6° |
| C28 | C30 | C31 | C33 | 157.3° | 127.4° |
| C30 | C28 | C27 | H27B | 106.5° | 112.9° |
| C30 | C28 | C27 | H27A | 15.5° | 9.7° |
| C30 | C28 | C29 | HC29 | 131.8° | 138.4° |
| C28 | C30 | H30B | H30A | 123.4° | 120.8° |
| C28 | C30 | C31 | HC31 | 74.2° | 111.9° |
| C35 | C32 | C31 | HC32 | 119.9° | 120.7° |
| C35 | C32 | C31 | C30 | 164.0° | 117.4° |
| C35 | C32 | C31 | C33 | 81.1° | 122.9° |
| C35 | C32 | C29 | HC29 | 23.0° | 14.1° |
| C35 | C32 | C31 | HC31 | 42.3° | 2.2° |
| C32 | C35 | H35C | H35B | 120.0° | 120.0° |
| C32 | C35 | H35C | H35A | 120.0° | 120.0° |
| C32 | C35 | H35B | H35A | 120.0° | 120.0° |
| C32 | C31 | C30 | C33 | 110.0° | 119.7° |
| C32 | C31 | C30 | HC31 | 121.5° | 119.6° |
| C32 | C31 | C33 | HC31 | 123.2° | 120.7° |
| C32 | C31 | C33 | C34 | 176.1° | 175.1° |
| C31 | C32 | C29 | HC29 | 103.0° | 133.8° |
| C32 | C31 | C30 | H30B | 166.1° | 127.3° |
| C32 | C31 | C30 | H30A | 71.5° | 111.8° |
| C32 | C31 | C33 | H33A | 63.2° | 64.9° |
| C32 | C31 | C33 | H33B | 55.5° | 55.1° |
| C31 | C32 | C35 | H35C | 59.9° | 58.6° |
| C31 | C32 | C35 | H35B | 180.0° | 61.4° |
| C31 | C32 | C35 | H35A | 60.0° | 178.6° |
| C30 | C31 | C33 | HC31 | 128.4° | 120.8° |
| C30 | C31 | C33 | C34 | 75.5° | 66.4° |
| C31 | C30 | C28 | HC28 | 81.2° | 107.3° |
| C31 | C30 | H30B | H30A | 123.3° | 120.8° |
| C30 | C31 | C32 | HC32 | 76.1° | 121.9° |
| C30 | C31 | C33 | H33A | 45.1° | 53.5° |
| C30 | C31 | C33 | H33B | 163.9° | 173.6° |
| C31 | C33 | C34 | H33A | 120.6° | 120.0° |
| C31 | C33 | C34 | H33B | 120.6° | 120.0° |
| C33 | C31 | C30 | H30B | 83.8° | 113.0° |
| C33 | C31 | C30 | H30A | 38.5° | 7.8° |
| C33 | C31 | C32 | HC32 | 38.8° | 2.2° |
| C31 | C33 | H33A | H33B | 118.0° | 120.0° |
| C31 | C33 | C34 | H34C | 180.0° | 179.9° |
| C31 | C33 | C34 | H34A | 60.0° | 60.0° |
| C31 | C33 | C34 | H34B | 60.0° | 60.0° |
| C34 | C33 | C31 | HC31 | 52.9° | 54.4° |
| C34 | C33 | H33A | H33B | 118.0° | 120.0° |
| C33 | C34 | H34C | H34A | 120.0° | 120.1° |
| C33 | C34 | H34C | H34B | 120.0° | 120.0° |
| C33 | C34 | H34A | H34B | 120.0° | 120.0° |
| H10B | C10 | C11 | H11A | 76.9° | 38.9° |
| H10B | C10 | C11 | H11B | 42.4° | 159.6° |
| H10B | C10 | C6 | HC6 | 143.2° | 96.8° |
| H10A | C10 | C11 | H11A | 165.2° | 158.7° |
| H10A | C10 | C11 | H11B | 75.5° | 80.5° |
| H10A | C10 | C6 | HC6 | 98.9° | 143.3° |
| H11A | C11 | N12 | HN12 | 8.5° | 104.1° |
| H11B | C11 | N12 | HN12 | 127.8° | 16.6° |
| HC14 | C14 | C15 | HC15 | 2.1° | 1.4° |
| HC15 | C15 | C16 | H16A | 89.0° | 173.0° |
| HC15 | C15 | C16 | H16B | 151.6° | 67.1° |
| H16A | C16 | C17 | HC17 | 54.9° | 73.4° |
| H16B | C16 | C17 | HC17 | 64.5° | 166.7° |
| HC17 | C17 | C18 | HC18 | 172.8° | 168.8° |
| HC17 | C17 | C22 | HC22 | 167.5° | 136.2° |
| HC18 | C18 | C19 | HC19 | 178.0° | 173.5° |
| HC18 | C18 | C27 | H27B | 44.3° | 38.8° |
| HC18 | C18 | C27 | H27A | 166.3° | 161.2° |
| HC19 | C19 | C29 | HC29 | 165.2° | 160.7° |
| H21A | C21 | C22 | HC22 | 176.5° | 37.7° |
| H21B | C21 | C22 | HC22 | 62.1° | 80.5° |
| HC22 | C22 | C23 | HC23 | 160.4° | 160.7° |
| HC23 | C23 | C24 | HC24 | 176.9° | 177.1° |
| H27B | C27 | C28 | HC28 | 19.6° | 10.7° |
| H27A | C27 | C28 | HC28 | 141.5° | 133.2° |
| HC28 | C28 | C29 | HC29 | 12.4° | 16.3° |
| HC28 | C28 | C30 | H30B | 37.7° | 12.3° |
| HC28 | C28 | C30 | H30A | 160.0° | 133.2° |
| HC29 | C29 | C32 | HC32 | 143.3° | 106.6° |
| H30B | C30 | C31 | HC31 | 44.6° | 7.7° |
| H30A | C30 | C31 | HC31 | 166.9° | 128.6° |
| HC31 | C31 | C32 | HC32 | 162.2° | 118.5° |
| HC31 | C31 | C33 | H33A | 173.6° | 174.3° |
| HC31 | C31 | C33 | H33B | 67.7° | 65.6° |
| HC32 | C32 | C35 | H35C | 59.8° | 179.3° |
| HC32 | C32 | C35 | H35B | 60.2° | 59.3° |
| HC32 | C32 | C35 | H35A | 179.8° | 60.7° |
| H33A | C33 | C34 | H34C | 59.4° | 60.0° |
| H33A | C33 | C34 | H34A | 179.4° | 180.0° |
| H33A | C33 | C34 | H34B | 60.6° | 60.0° |
| H33B | C33 | C34 | H34C | 59.4° | 60.1° |
| H33B | C33 | C34 | H34A | 60.7° | 60.0° |
| H33B | C33 | C34 | H34B | 179.4° | 180.0° |
| H34C | C34 | H34A | H34B | 120.0° | 119.9° |
| H35C | C35 | H35B | H35A | 119.9° | 120.0° |
| HC4 | C4 | C6 | HC6 | 60.1° | 0.2° |
| HC4 | C4 | N3 | HN3 | 57.0° | 53.2° |
| HC6 | C6 | O37 | HO37 | 62.9° | 59.7° |
