90X
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C8 | C9 | sing | 1.55Å | 1.54Å | |
| C8 | N | sing | 1.47Å | 1.46Å | |
| C1 | O1 | sing | 1.43Å | 1.45Å | |
| C1 | C | sing | 1.51Å | 1.52Å | |
| C9 | C10 | sing | 1.55Å | 1.52Å | |
| O1 | C2 | sing | 1.36Å | 1.39Å | |
| N | C | sing | 1.35Å | 1.33Å | |
| N | C11 | sing | 1.47Å | 1.47Å | |
| C | O | doub | 1.21Å | 1.24Å | |
| CL1 | C7 | sing | 1.74Å | 1.80Å | |
| C10 | C11 | sing | 1.54Å | 1.54Å | |
| C2 | C7 | doub | 1.39Å | 1.37Å | Aromatic |
| C2 | C3 | sing | 1.39Å | 1.41Å | Aromatic |
| C11 | C12 | sing | 1.51Å | 1.48Å | |
| C7 | C6 | sing | 1.38Å | 1.38Å | Aromatic |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C12 | O5 | doub | 1.21Å | 1.22Å | |
| C12 | N1 | sing | 1.35Å | 1.34Å | |
| C6 | C5 | doub | 1.38Å | 1.40Å | Aromatic |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| N1 | C13 | sing | 1.46Å | 1.44Å | |
| C5 | CL | sing | 1.74Å | 1.80Å | |
| C26 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C26 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| O4 | C19 | sing | 1.43Å | 1.46Å | |
| C15 | C18 | sing | 1.51Å | 1.52Å | |
| C15 | C16 | sing | 1.55Å | 1.53Å | |
| C15 | C14 | sing | 1.53Å | 1.51Å | |
| C25 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C19 | sing | 1.53Å | 1.51Å | |
| O2 | C18 | doub | 1.21Å | 1.21Å | |
| C18 | N2 | sing | 1.34Å | 1.33Å | |
| C16 | C17 | sing | 1.54Å | 1.53Å | |
| C17 | N2 | sing | 1.47Å | 1.44Å | |
| C19 | C20 | sing | 1.51Å | 1.47Å | |
| C28 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| N3 | C20 | sing | 1.35Å | 1.35Å | |
| N3 | C21 | sing | 1.47Å | 1.47Å | |
| C20 | O3 | doub | 1.21Å | 1.21Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| N1 | H93 | sing | 0.97Å | 1.00Å | |
| C3 | H31 | sing | 1.08Å | 1.08Å | |
| C4 | H41 | sing | 1.08Å | 1.08Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | H92 | sing | 1.09Å | 1.10Å | |
| C9 | H91 | sing | 1.09Å | 1.10Å | |
| C10 | H13 | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H18 | sing | 1.09Å | 1.10Å | |
| C16 | H2A | sing | 1.09Å | 1.10Å | |
| C16 | H19 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H16 | sing | 1.09Å | 1.10Å | |
| C14 | H17 | sing | 1.09Å | 1.10Å | |
| C17 | H2C | sing | 1.09Å | 1.10Å | |
| C17 | H2B | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| N2 | H94 | sing | 0.97Å | 1.00Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | H24 | sing | 1.09Å | 1.10Å | |
| C24 | H25 | sing | 1.08Å | 1.08Å | |
| C25 | H26 | sing | 1.08Å | 1.08Å | |
| C26 | H27 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C28 | H29 | sing | 1.08Å | 1.08Å | |
| N3 | H32 | sing | 0.97Å | 1.00Å | |
| C19 | H1 | sing | 1.09Å | 1.10Å | |
| O4 | H42 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C8 | N | 104.0° | 104.8° |
| C8 | C9 | C10 | 107.6° | 101.6° |
| C9 | C8 | H81 | 110.8° | 110.4° |
| C9 | C8 | H82 | 110.8° | 110.4° |
| C8 | C9 | H92 | 109.9° | 111.0° |
| C8 | C9 | H91 | 110.0° | 111.0° |
| C8 | N | C | 127.0° | 125.6° |
| C8 | N | C11 | 113.1° | 108.7° |
| N | C8 | H81 | 110.8° | 110.4° |
| N | C8 | H82 | 110.8° | 110.3° |
| O1 | C1 | C | 110.9° | 109.5° |
| C1 | O1 | C2 | 123.5° | 117.0° |
| O1 | C1 | H12 | 109.1° | 109.5° |
| O1 | C1 | H11 | 109.1° | 109.4° |
| C1 | C | N | 115.6° | 120.0° |
| C1 | C | O | 123.2° | 120.0° |
| C | C1 | H12 | 109.1° | 109.5° |
| C | C1 | H11 | 109.1° | 109.4° |
| C9 | C10 | C11 | 104.9° | 103.0° |
| C10 | C9 | H92 | 109.9° | 111.0° |
| C10 | C9 | H91 | 109.9° | 111.0° |
| C9 | C10 | H13 | 110.6° | 110.7° |
| C9 | C10 | H10 | 110.6° | 110.7° |
| O1 | C2 | C7 | 117.2° | 120.0° |
| O1 | C2 | C3 | 123.3° | 120.1° |
| C | N | C11 | 119.8° | 125.6° |
| N | C | O | 121.1° | 120.0° |
| N | C11 | C10 | 105.9° | 107.3° |
| N | C11 | C12 | 112.1° | 109.9° |
| N | C11 | H14 | 109.0° | 110.0° |
| CL1 | C7 | C2 | 118.1° | 120.0° |
| CL1 | C7 | C6 | 120.3° | 120.0° |
| C10 | C11 | C12 | 112.8° | 109.9° |
| C11 | C10 | H13 | 110.6° | 110.8° |
| C11 | C10 | H10 | 110.6° | 110.7° |
| C10 | C11 | H14 | 108.1° | 109.8° |
| C7 | C2 | C3 | 119.5° | 119.9° |
| C2 | C7 | C6 | 121.6° | 119.9° |
| C2 | C3 | C4 | 119.7° | 120.0° |
| C2 | C3 | H31 | 120.2° | 120.0° |
| C11 | C12 | O5 | 124.3° | 120.0° |
| C11 | C12 | N1 | 114.3° | 120.1° |
| C12 | C11 | H14 | 108.8° | 109.9° |
| C7 | C6 | C5 | 119.2° | 120.1° |
| C7 | C6 | H6 | 120.4° | 120.0° |
| C3 | C4 | C5 | 119.7° | 120.1° |
| C4 | C3 | H31 | 120.2° | 120.0° |
| C3 | C4 | H41 | 120.1° | 120.0° |
| O5 | C12 | N1 | 121.3° | 119.9° |
| C12 | N1 | C13 | 121.8° | 120.0° |
| C12 | N1 | H93 | 119.1° | 119.9° |
| C6 | C5 | C4 | 120.3° | 120.1° |
| C6 | C5 | CL | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.4° | 120.0° |
| C4 | C5 | CL | 119.9° | 120.0° |
| C5 | C4 | H41 | 120.1° | 120.0° |
| N1 | C13 | C14 | 111.5° | 109.5° |
| N1 | C13 | C19 | 104.1° | 109.5° |
| C13 | N1 | H93 | 119.1° | 120.0° |
| N1 | C13 | H15 | 111.3° | 109.5° |
| C27 | C26 | C25 | 119.9° | 120.0° |
| C26 | C27 | C28 | 120.0° | 120.0° |
| C27 | C26 | H27 | 120.1° | 120.0° |
| C26 | C27 | H28 | 120.0° | 120.0° |
| C26 | C25 | C24 | 120.1° | 120.0° |
| C26 | C25 | H26 | 119.9° | 120.0° |
| C25 | C26 | H27 | 120.0° | 120.0° |
| C27 | C28 | C23 | 120.6° | 120.0° |
| C28 | C27 | H28 | 120.0° | 120.0° |
| C27 | C28 | H29 | 119.7° | 120.0° |
| O4 | C19 | C13 | 110.0° | 109.5° |
| O4 | C19 | C20 | 109.7° | 109.5° |
| O4 | C19 | H1 | 110.4° | 109.5° |
| C19 | O4 | H42 | 109.5° | 114.0° |
| C18 | C15 | C16 | 102.3° | 104.2° |
| C18 | C15 | C14 | 112.4° | 110.5° |
| C15 | C18 | O2 | 122.2° | 124.9° |
| C15 | C18 | N2 | 110.4° | 110.1° |
| C18 | C15 | H18 | 109.8° | 110.5° |
| C16 | C15 | C14 | 112.5° | 110.5° |
| C15 | C16 | C17 | 107.2° | 101.8° |
| C16 | C15 | H18 | 109.7° | 110.4° |
| C15 | C16 | H2A | 110.0° | 111.0° |
| C15 | C16 | H19 | 110.0° | 111.0° |
| C15 | C14 | C13 | 109.0° | 109.5° |
| C14 | C15 | H18 | 109.9° | 110.6° |
| C15 | C14 | H16 | 109.6° | 109.5° |
| C15 | C14 | H17 | 109.6° | 109.5° |
| C25 | C24 | C23 | 120.3° | 120.0° |
| C25 | C24 | H25 | 119.8° | 120.0° |
| C24 | C25 | H26 | 119.9° | 120.0° |
| C14 | C13 | C19 | 110.2° | 109.5° |
| C14 | C13 | H15 | 109.6° | 109.4° |
| C13 | C14 | H16 | 109.6° | 109.5° |
| C13 | C14 | H17 | 109.6° | 109.5° |
| C13 | C19 | C20 | 106.8° | 109.5° |
| C19 | C13 | H15 | 110.2° | 109.5° |
| C13 | C19 | H1 | 109.7° | 109.4° |
| O2 | C18 | N2 | 127.3° | 124.9° |
| C18 | N2 | C17 | 114.6° | 111.3° |
| C18 | N2 | H94 | 122.7° | 124.3° |
| C16 | C17 | N2 | 103.2° | 105.5° |
| C17 | C16 | H2A | 110.0° | 110.9° |
| C17 | C16 | H19 | 110.0° | 110.9° |
| C16 | C17 | H2C | 111.0° | 110.3° |
| C16 | C17 | H2B | 111.0° | 110.3° |
| N2 | C17 | H2C | 111.0° | 110.2° |
| N2 | C17 | H2B | 111.0° | 110.3° |
| C17 | N2 | H94 | 122.7° | 124.4° |
| C19 | C20 | N3 | 115.4° | 120.0° |
| C19 | C20 | O3 | 116.7° | 120.0° |
| C20 | C19 | H1 | 110.3° | 109.5° |
| C28 | C23 | C24 | 119.0° | 120.0° |
| C28 | C23 | C22 | 119.5° | 120.0° |
| C23 | C28 | H29 | 119.7° | 120.0° |
| C24 | C23 | C22 | 121.5° | 120.0° |
| C23 | C24 | H25 | 119.8° | 120.0° |
| C23 | C22 | C21 | 112.0° | 109.5° |
| C23 | C22 | H23 | 108.8° | 109.5° |
| C23 | C22 | H24 | 108.8° | 109.4° |
| C20 | N3 | C21 | 121.4° | 120.0° |
| N3 | C20 | O3 | 127.9° | 120.0° |
| C20 | N3 | H32 | 119.3° | 120.1° |
| N3 | C21 | C22 | 112.2° | 109.5° |
| N3 | C21 | H22 | 108.8° | 109.5° |
| N3 | C21 | H21 | 108.8° | 109.5° |
| C21 | N3 | H32 | 119.3° | 119.9° |
| C22 | C21 | H22 | 108.8° | 109.5° |
| C22 | C21 | H21 | 108.8° | 109.5° |
| C21 | C22 | H23 | 108.8° | 109.5° |
| C21 | C22 | H24 | 108.8° | 109.5° |
| H81 | C8 | H82 | 109.5° | 110.4° |
| H92 | C9 | H91 | 109.5° | 110.9° |
| H13 | C10 | H10 | 109.5° | 110.7° |
| H2A | C16 | H19 | 109.5° | 110.9° |
| H12 | C1 | H11 | 109.5° | 109.5° |
| H16 | C14 | H17 | 109.5° | 109.4° |
| H2C | C17 | H2B | 109.5° | 110.2° |
| H22 | C21 | H21 | 109.5° | 109.5° |
| H23 | C22 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C8 | N | H81 | 119.1° | 118.9° |
| C9 | C8 | N | H82 | 119.1° | 118.8° |
| C8 | C9 | C10 | H92 | 119.7° | 118.1° |
| C8 | C9 | C10 | H91 | 119.7° | 118.1° |
| C9 | C8 | N | C | 171.6° | 155.9° |
| C9 | C8 | N | C11 | 10.0° | 24.1° |
| C8 | C9 | C10 | C11 | 21.5° | 35.5° |
| C9 | C8 | H81 | H82 | 122.5° | 122.3° |
| C8 | C9 | H92 | H91 | 120.9° | 123.9° |
| C8 | C9 | C10 | H13 | 140.7° | 153.9° |
| C8 | C9 | C10 | H10 | 97.8° | 82.9° |
| C8 | N | C | C1 | 2.3° | 4.6° |
| N | C8 | C9 | C10 | 19.4° | 37.0° |
| C8 | N | C | C11 | 178.3° | 180.0° |
| C8 | N | C | O | 179.1° | 175.4° |
| C8 | N | C11 | C10 | 3.2° | 1.1° |
| C8 | N | C11 | C12 | 126.6° | 118.4° |
| N | C8 | H81 | H82 | 122.5° | 122.3° |
| N | C8 | C9 | H92 | 100.3° | 81.1° |
| N | C8 | C9 | H91 | 139.1° | 155.1° |
| C8 | N | C11 | H14 | 112.9° | 120.5° |
| O1 | C1 | C | H12 | 120.2° | 120.0° |
| O1 | C1 | C | H11 | 120.2° | 119.9° |
| O1 | C1 | C | N | 151.3° | 180.0° |
| O1 | C1 | C | O | 25.4° | 0.0° |
| C1 | O1 | C2 | C7 | 171.5° | 180.0° |
| C1 | O1 | C2 | C3 | 10.0° | 0.3° |
| O1 | C1 | H12 | H11 | 119.4° | 120.0° |
| C | C1 | O1 | C2 | 53.0° | 180.0° |
| C1 | C | N | O | 176.8° | 180.0° |
| C1 | C | N | C11 | 176.0° | 175.4° |
| C | C1 | H12 | H11 | 119.3° | 120.0° |
| C9 | C10 | C11 | N | 15.1° | 22.2° |
| C9 | C10 | C11 | H13 | 119.3° | 118.4° |
| C9 | C10 | C11 | H10 | 119.3° | 118.3° |
| C9 | C10 | C11 | C12 | 138.0° | 141.6° |
| C10 | C9 | C8 | H81 | 99.7° | 81.9° |
| C10 | C9 | C8 | H82 | 138.5° | 155.8° |
| C10 | C9 | H92 | H91 | 120.8° | 123.9° |
| C9 | C10 | H13 | H10 | 122.1° | 123.1° |
| C9 | C10 | C11 | H14 | 101.6° | 97.4° |
| O1 | C2 | C7 | CL1 | 0.1° | 0.3° |
| O1 | C2 | C7 | C3 | 178.6° | 179.7° |
| O1 | C2 | C7 | C6 | 180.0° | 179.7° |
| O1 | C2 | C3 | C4 | 179.8° | 179.7° |
| O1 | C2 | C3 | H31 | 0.2° | 0.3° |
| C2 | O1 | C1 | H12 | 173.2° | 60.0° |
| C2 | O1 | C1 | H11 | 67.2° | 60.1° |
| C | N | C11 | C10 | 175.4° | 178.9° |
| C | N | C11 | C12 | 52.0° | 61.6° |
| C | N | C8 | H81 | 69.2° | 85.3° |
| C | N | C8 | H82 | 52.5° | 37.1° |
| C | N | C11 | H14 | 68.6° | 59.5° |
| N | C | C1 | H12 | 88.5° | 60.0° |
| N | C | C1 | H11 | 31.1° | 60.0° |
| C11 | N | C | O | 0.8° | 4.6° |
| N | C11 | C10 | C12 | 122.9° | 119.4° |
| N | C11 | C10 | H14 | 116.7° | 119.6° |
| N | C11 | C12 | H14 | 120.7° | 121.2° |
| N | C11 | C12 | O5 | 48.2° | 23.7° |
| N | C11 | C12 | N1 | 129.5° | 156.3° |
| C11 | N | C8 | H81 | 109.2° | 94.7° |
| C11 | N | C8 | H82 | 129.1° | 142.9° |
| N | C11 | C10 | H13 | 134.4° | 140.6° |
| N | C11 | C10 | H10 | 104.2° | 96.1° |
| O | C | C1 | H12 | 94.8° | 120.0° |
| O | C | C1 | H11 | 145.6° | 119.9° |
| CL1 | C7 | C2 | C6 | 179.8° | 179.9° |
| CL1 | C7 | C2 | C3 | 178.7° | 180.0° |
| CL1 | C7 | C6 | C5 | 179.2° | 180.0° |
| CL1 | C7 | C6 | H6 | 0.8° | 0.0° |
| C10 | C11 | C12 | H14 | 120.0° | 121.0° |
| C10 | C11 | C12 | O5 | 71.2° | 94.1° |
| C10 | C11 | C12 | N1 | 111.1° | 85.9° |
| C11 | C10 | C9 | H92 | 98.2° | 82.6° |
| C11 | C10 | C9 | H91 | 141.2° | 153.5° |
| C11 | C10 | H13 | H10 | 122.1° | 123.3° |
| C7 | C2 | C3 | C4 | 1.3° | 0.0° |
| C2 | C7 | C6 | C5 | 0.9° | 0.0° |
| C7 | C2 | C3 | H31 | 178.7° | 180.0° |
| C2 | C7 | C6 | H6 | 179.1° | 180.0° |
| C3 | C2 | C7 | C6 | 1.4° | 0.0° |
| C2 | C3 | C4 | H31 | 180.0° | 180.0° |
| C2 | C3 | C4 | C5 | 0.7° | 0.0° |
| C2 | C3 | C4 | H41 | 179.3° | 180.0° |
| C11 | C12 | O5 | N1 | 177.6° | 180.0° |
| C11 | C12 | N1 | C13 | 168.0° | 175.0° |
| C11 | C12 | N1 | H93 | 12.0° | 4.8° |
| C12 | C11 | C10 | H13 | 102.7° | 100.0° |
| C12 | C11 | C10 | H10 | 18.7° | 23.3° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 0.3° | 0.0° |
| C7 | C6 | C5 | CL | 179.9° | 180.0° |
| C3 | C4 | C5 | C6 | 0.2° | 0.0° |
| C3 | C4 | C5 | H41 | 180.0° | 180.0° |
| C3 | C4 | C5 | CL | 180.0° | 180.0° |
| O5 | C12 | N1 | C13 | 14.2° | 5.0° |
| O5 | C12 | N1 | H93 | 165.7° | 175.2° |
| O5 | C12 | C11 | H14 | 168.8° | 144.9° |
| C12 | N1 | C13 | H93 | 180.0° | 179.8° |
| C12 | N1 | C13 | C14 | 128.9° | 85.5° |
| C12 | N1 | C13 | C19 | 112.4° | 154.5° |
| N1 | C12 | C11 | H14 | 8.9° | 35.1° |
| C12 | N1 | C13 | H15 | 6.3° | 34.5° |
| C6 | C5 | C4 | CL | 179.9° | 180.0° |
| C6 | C5 | C4 | H41 | 179.9° | 180.0° |
| C5 | C4 | C3 | H31 | 179.3° | 180.0° |
| C4 | C5 | C6 | H6 | 179.7° | 180.0° |
| N1 | C13 | C19 | O4 | 35.7° | 60.0° |
| N1 | C13 | C14 | C15 | 55.7° | 176.3° |
| N1 | C13 | C14 | C19 | 115.0° | 120.0° |
| N1 | C13 | C14 | H15 | 123.6° | 120.0° |
| N1 | C13 | C19 | H15 | 119.4° | 120.0° |
| N1 | C13 | C19 | C20 | 154.6° | 60.0° |
| N1 | C13 | C14 | H16 | 175.7° | 63.7° |
| N1 | C13 | C14 | H17 | 64.2° | 56.2° |
| N1 | C13 | C19 | H1 | 85.9° | 180.0° |
| CL | C5 | C4 | H41 | 0.0° | 0.0° |
| CL | C5 | C6 | H6 | 0.1° | 0.0° |
| C27 | C26 | C25 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | H28 | 180.0° | 179.8° |
| C27 | C26 | C25 | C24 | 0.0° | 0.1° |
| C26 | C27 | C28 | C23 | 1.6° | 0.5° |
| C27 | C26 | C25 | H26 | 179.9° | 180.0° |
| C26 | C27 | C28 | H29 | 178.4° | 180.0° |
| C25 | C26 | C27 | C28 | 1.0° | 0.2° |
| C26 | C25 | C24 | H26 | 180.0° | 179.9° |
| C26 | C25 | C24 | C23 | 0.4° | 0.1° |
| C26 | C25 | C24 | H25 | 179.6° | 180.0° |
| C25 | C26 | C27 | H28 | 179.0° | 180.0° |
| C27 | C28 | C23 | H29 | 180.0° | 179.5° |
| C27 | C28 | C23 | C24 | 1.1° | 0.5° |
| C27 | C28 | C23 | C22 | 179.0° | 179.7° |
| C28 | C27 | C26 | H27 | 179.0° | 180.0° |
| O4 | C19 | C13 | C14 | 155.3° | 60.0° |
| O4 | C19 | C13 | C20 | 118.9° | 120.0° |
| O4 | C19 | C13 | H1 | 121.6° | 120.0° |
| O4 | C19 | C20 | H1 | 121.8° | 120.0° |
| O4 | C19 | C20 | N3 | 30.4° | 175.0° |
| O4 | C19 | C20 | O3 | 150.6° | 5.0° |
| O4 | C19 | C13 | H15 | 83.6° | 180.0° |
| C18 | C15 | C16 | C14 | 120.8° | 118.7° |
| C18 | C15 | C16 | H18 | 116.5° | 118.7° |
| C18 | C15 | C14 | H18 | 122.6° | 122.7° |
| C18 | C15 | C14 | C13 | 174.1° | 65.2° |
| C15 | C18 | O2 | N2 | 178.9° | 180.0° |
| C18 | C15 | C16 | C17 | 12.9° | 24.8° |
| C15 | C18 | N2 | C17 | 4.1° | 0.3° |
| C18 | C15 | C16 | H2A | 106.8° | 142.9° |
| C18 | C15 | C16 | H19 | 132.5° | 93.3° |
| C18 | C15 | C14 | H16 | 66.0° | 174.8° |
| C18 | C15 | C14 | H17 | 54.2° | 54.8° |
| C15 | C18 | N2 | H94 | 175.9° | 179.6° |
| C16 | C15 | C14 | H18 | 122.6° | 122.6° |
| C16 | C15 | C14 | C13 | 71.1° | 180.0° |
| C16 | C15 | C18 | O2 | 175.0° | 163.7° |
| C16 | C15 | C18 | N2 | 5.9° | 16.3° |
| C15 | C16 | C17 | H2A | 119.6° | 118.1° |
| C15 | C16 | C17 | H19 | 119.7° | 118.2° |
| C15 | C16 | C17 | N2 | 15.1° | 25.4° |
| C15 | C16 | H2A | H19 | 121.0° | 123.9° |
| C16 | C15 | C14 | H16 | 48.9° | 60.0° |
| C16 | C15 | C14 | H17 | 169.0° | 60.0° |
| C15 | C16 | C17 | H2C | 134.1° | 93.6° |
| C15 | C16 | C17 | H2B | 103.8° | 144.5° |
| C15 | C14 | C13 | H16 | 119.9° | 120.0° |
| C15 | C14 | C13 | H17 | 119.9° | 120.0° |
| C15 | C14 | C13 | C19 | 170.8° | 63.7° |
| C14 | C15 | C18 | O2 | 54.1° | 77.6° |
| C14 | C15 | C18 | N2 | 126.8° | 102.4° |
| C14 | C15 | C16 | C17 | 133.7° | 93.9° |
| C14 | C15 | C16 | H2A | 14.1° | 24.2° |
| C14 | C15 | C16 | H19 | 106.6° | 148.0° |
| C15 | C14 | C13 | H15 | 67.9° | 56.3° |
| C15 | C14 | H16 | H17 | 120.2° | 120.0° |
| C25 | C24 | C23 | C28 | 0.1° | 0.2° |
| C25 | C24 | C23 | H25 | 180.0° | 179.9° |
| C25 | C24 | C23 | C22 | 180.0° | 180.0° |
| C24 | C25 | C26 | H27 | 180.0° | 179.7° |
| C14 | C13 | C19 | H15 | 121.0° | 120.0° |
| C14 | C13 | C19 | C20 | 85.7° | 180.0° |
| C14 | C13 | N1 | H93 | 51.1° | 94.3° |
| C13 | C14 | C15 | H18 | 51.5° | 57.4° |
| C13 | C14 | H16 | H17 | 120.2° | 120.0° |
| C14 | C13 | C19 | H1 | 33.7° | 60.0° |
| C13 | C19 | C20 | H1 | 119.1° | 120.0° |
| C13 | C19 | C20 | N3 | 88.7° | 65.0° |
| C13 | C19 | C20 | O3 | 90.3° | 115.0° |
| C19 | C13 | N1 | H93 | 67.7° | 25.7° |
| C19 | C13 | C14 | H16 | 69.3° | 56.3° |
| C19 | C13 | C14 | H17 | 50.8° | 176.2° |
| C13 | C19 | O4 | H42 | 180.0° | 60.0° |
| O2 | C18 | N2 | C17 | 174.9° | 179.7° |
| O2 | C18 | C15 | H18 | 68.6° | 45.1° |
| O2 | C18 | N2 | H94 | 5.1° | 0.4° |
| C18 | N2 | C17 | C16 | 12.2° | 17.0° |
| C18 | N2 | C17 | H94 | 180.0° | 179.9° |
| N2 | C18 | C15 | H18 | 110.5° | 134.9° |
| C18 | N2 | C17 | H2C | 131.2° | 102.1° |
| C18 | N2 | C17 | H2B | 106.8° | 136.0° |
| C16 | C17 | N2 | H2C | 119.0° | 119.1° |
| C16 | C17 | N2 | H2B | 119.0° | 119.1° |
| C17 | C16 | C15 | H18 | 103.6° | 143.5° |
| C17 | C16 | H2A | H19 | 121.1° | 123.8° |
| C16 | C17 | H2C | H2B | 122.9° | 122.0° |
| C16 | C17 | N2 | H94 | 167.8° | 162.9° |
| N2 | C17 | C16 | H2A | 104.5° | 143.5° |
| N2 | C17 | C16 | H19 | 134.8° | 92.7° |
| N2 | C17 | H2C | H2B | 123.0° | 121.9° |
| C19 | C20 | N3 | O3 | 178.8° | 180.0° |
| C19 | C20 | N3 | C21 | 161.0° | 180.0° |
| C20 | C19 | C13 | H15 | 35.3° | 60.0° |
| C19 | C20 | N3 | H32 | 19.0° | 0.0° |
| C20 | C19 | O4 | H42 | 62.9° | 60.0° |
| C28 | C23 | C24 | C22 | 179.9° | 179.8° |
| C28 | C23 | C22 | C21 | 135.0° | 90.2° |
| C28 | C23 | C22 | H23 | 14.6° | 149.7° |
| C28 | C23 | C22 | H24 | 104.7° | 29.8° |
| C28 | C23 | C24 | H25 | 179.9° | 179.7° |
| C23 | C28 | C27 | H28 | 178.4° | 179.7° |
| C24 | C23 | C22 | C21 | 44.9° | 90.0° |
| C24 | C23 | C22 | H23 | 165.3° | 30.1° |
| C24 | C23 | C22 | H24 | 75.4° | 150.0° |
| C23 | C24 | C25 | H26 | 179.6° | 180.0° |
| C24 | C23 | C28 | H29 | 178.9° | 180.0° |
| C23 | C22 | C21 | N3 | 47.5° | 180.0° |
| C23 | C22 | C21 | H23 | 120.4° | 120.0° |
| C23 | C22 | C21 | H24 | 120.3° | 120.0° |
| C23 | C22 | C21 | H22 | 72.9° | 60.0° |
| C23 | C22 | C21 | H21 | 167.9° | 60.0° |
| C23 | C22 | H23 | H24 | 118.9° | 119.9° |
| C22 | C23 | C24 | H25 | 0.0° | 0.1° |
| C22 | C23 | C28 | H29 | 1.0° | 0.2° |
| C20 | N3 | C21 | H32 | 180.0° | 180.0° |
| C20 | N3 | C21 | C22 | 121.7° | 180.0° |
| C20 | N3 | C21 | H22 | 117.9° | 60.0° |
| C20 | N3 | C21 | H21 | 1.3° | 60.0° |
| N3 | C20 | C19 | H1 | 152.2° | 55.0° |
| C21 | N3 | C20 | O3 | 20.2° | 0.0° |
| N3 | C21 | C22 | H22 | 120.4° | 120.0° |
| N3 | C21 | C22 | H21 | 120.4° | 120.0° |
| N3 | C21 | H22 | H21 | 118.8° | 120.0° |
| N3 | C21 | C22 | H23 | 72.9° | 60.0° |
| N3 | C21 | C22 | H24 | 167.8° | 60.0° |
| O3 | C20 | N3 | H32 | 159.8° | 180.0° |
| O3 | C20 | C19 | H1 | 28.8° | 125.0° |
| C22 | C21 | H22 | H21 | 118.8° | 120.0° |
| C21 | C22 | H23 | H24 | 118.9° | 120.0° |
| C22 | C21 | N3 | H32 | 58.3° | 0.0° |
| H93 | N1 | C13 | H15 | 173.7° | 145.8° |
| H31 | C3 | C4 | H41 | 0.7° | 0.0° |
| H81 | C8 | C9 | H92 | 140.6° | 160.0° |
| H81 | C8 | C9 | H91 | 20.0° | 36.2° |
| H82 | C8 | C9 | H92 | 18.8° | 37.7° |
| H82 | C8 | C9 | H91 | 101.8° | 86.1° |
| H92 | C9 | C10 | H13 | 21.0° | 35.8° |
| H92 | C9 | C10 | H10 | 142.5° | 159.0° |
| H91 | C9 | C10 | H13 | 99.5° | 88.0° |
| H91 | C9 | C10 | H10 | 21.9° | 35.2° |
| H13 | C10 | C11 | H14 | 17.7° | 21.0° |
| H10 | C10 | C11 | H14 | 139.1° | 144.3° |
| H18 | C15 | C16 | H2A | 136.8° | 98.5° |
| H18 | C15 | C16 | H19 | 16.1° | 25.4° |
| H18 | C15 | C14 | H16 | 171.4° | 62.6° |
| H18 | C15 | C14 | H17 | 68.4° | 177.5° |
| H2A | C16 | C17 | H2C | 14.5° | 24.5° |
| H2A | C16 | C17 | H2B | 136.5° | 97.4° |
| H19 | C16 | C17 | H2C | 106.2° | 148.2° |
| H19 | C16 | C17 | H2B | 15.8° | 26.3° |
| H15 | C13 | C14 | H16 | 52.1° | 176.3° |
| H15 | C13 | C14 | H17 | 172.2° | 63.8° |
| H15 | C13 | C19 | H1 | 154.8° | 60.0° |
| H2C | C17 | N2 | H94 | 48.9° | 78.0° |
| H2B | C17 | N2 | H94 | 73.2° | 43.9° |
| H22 | C21 | C22 | H23 | 166.7° | 60.0° |
| H22 | C21 | C22 | H24 | 47.4° | 180.0° |
| H22 | C21 | N3 | H32 | 62.1° | 120.0° |
| H21 | C21 | C22 | H23 | 47.5° | 180.0° |
| H21 | C21 | C22 | H24 | 71.8° | 60.0° |
| H21 | C21 | N3 | H32 | 178.7° | 120.0° |
| H25 | C24 | C25 | H26 | 0.4° | 0.1° |
| H26 | C25 | C26 | H27 | 0.1° | 0.2° |
| H27 | C26 | C27 | H28 | 1.0° | 0.2° |
| H28 | C27 | C28 | H29 | 1.6° | 0.2° |
| H1 | C19 | O4 | H42 | 58.9° | 180.0° |
