6OY
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C | C1 | sing | 1.53Å | 1.49Å | |
| N | C9 | sing | 1.47Å | 1.46Å | |
| N | C10 | sing | 1.34Å | 1.34Å | |
| O | C1 | sing | 1.45Å | 1.47Å | |
| O | C2 | sing | 1.34Å | 1.33Å | |
| N1 | C5 | sing | 1.47Å | 1.46Å | |
| N1 | C11 | sing | 1.35Å | 1.34Å | |
| O1 | C2 | doub | 1.21Å | 1.21Å | |
| C2 | C3 | sing | 1.51Å | 1.50Å | |
| N2 | C12 | sing | 1.47Å | 1.47Å | |
| N2 | C15 | sing | 1.47Å | 1.48Å | |
| N2 | C16 | sing | 1.35Å | 1.35Å | |
| O2 | C10 | doub | 1.21Å | 1.23Å | |
| C3 | C4 | sing | 1.53Å | 1.53Å | |
| N3 | C17 | sing | 1.46Å | 1.46Å | |
| N3 | C21 | sing | 1.35Å | 1.34Å | |
| O3 | C11 | doub | 1.21Å | 1.24Å | |
| C4 | C5 | sing | 1.53Å | 1.53Å | |
| N4 | O6 | sing | 1.21Å | 1.43Å | Aromatic |
| N4 | C22 | doub | 1.31Å | 1.33Å | Aromatic |
| O4 | C16 | doub | 1.21Å | 1.23Å | |
| C5 | C6 | sing | 1.53Å | 1.52Å | |
| O5 | C21 | doub | 1.22Å | 1.24Å | |
| C6 | C7 | sing | 1.53Å | 1.55Å | |
| O6 | C24 | sing | 1.34Å | 1.35Å | Aromatic |
| C7 | C8 | sing | 1.55Å | 1.55Å | |
| C7 | C10 | sing | 1.51Å | 1.52Å | |
| C8 | C9 | sing | 1.54Å | 1.54Å | |
| C11 | C12 | sing | 1.51Å | 1.53Å | |
| C12 | C13 | sing | 1.54Å | 1.53Å | |
| C13 | C14 | sing | 1.55Å | 1.55Å | |
| C14 | C15 | sing | 1.55Å | 1.54Å | |
| C14 | C26 | sing | 1.51Å | 1.52Å | |
| C16 | C17 | sing | 1.51Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.54Å | |
| C18 | C19 | sing | 1.53Å | 1.53Å | |
| C18 | C20 | sing | 1.53Å | 1.52Å | |
| C21 | C22 | sing | 1.48Å | 1.48Å | |
| C22 | C23 | sing | 1.42Å | 1.40Å | Aromatic |
| C23 | C24 | doub | 1.35Å | 1.34Å | Aromatic |
| C24 | C25 | sing | 1.51Å | 1.49Å | |
| C26 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C27 | C28 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | C29 | doub | 1.38Å | 1.38Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.39Å | Aromatic |
| C | H | sing | 1.09Å | 1.10Å | |
| C | HA | sing | 1.09Å | 1.10Å | |
| C | HB | sing | 1.09Å | 1.10Å | |
| N | HN | sing | 0.97Å | 1.00Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| N1 | HN1 | sing | 0.97Å | 1.00Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| N3 | HN3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C6 | H6A | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C8 | H8A | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C9 | H9A | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C13 | H13A | sing | 1.09Å | 1.10Å | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C15 | H15A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C19 | H19B | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H20A | sing | 1.09Å | 1.10Å | |
| C20 | H20B | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C25 | H25A | sing | 1.09Å | 1.10Å | |
| C25 | H25B | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C | C1 | O | 110.7° | 109.5° |
| C1 | C | H | 109.5° | 109.5° |
| C1 | C | HA | 109.5° | 109.5° |
| C1 | C | HB | 109.4° | 109.5° |
| C | C1 | H1 | 109.1° | 109.5° |
| C | C1 | H1A | 109.2° | 109.5° |
| C9 | N | C10 | 113.7° | 111.3° |
| N | C9 | C8 | 102.5° | 105.4° |
| C9 | N | HN | 123.2° | 124.3° |
| N | C9 | H9 | 111.2° | 110.2° |
| N | C9 | H9A | 111.1° | 110.2° |
| N | C10 | O2 | 126.4° | 125.0° |
| N | C10 | C7 | 109.2° | 110.1° |
| C10 | N | HN | 123.1° | 124.4° |
| C1 | O | C2 | 116.8° | 117.0° |
| O | C1 | H1 | 109.2° | 109.4° |
| O | C1 | H1A | 109.2° | 109.4° |
| O | C2 | O1 | 123.9° | 120.0° |
| O | C2 | C3 | 111.1° | 120.0° |
| C5 | N1 | C11 | 124.1° | 120.0° |
| N1 | C5 | C4 | 110.6° | 109.5° |
| N1 | C5 | C6 | 109.6° | 109.5° |
| C5 | N1 | HN1 | 118.0° | 119.9° |
| N1 | C5 | H5 | 107.9° | 109.5° |
| N1 | C11 | O3 | 123.6° | 120.0° |
| N1 | C11 | C12 | 113.9° | 119.9° |
| C11 | N1 | HN1 | 117.9° | 120.1° |
| O1 | C2 | C3 | 124.9° | 120.0° |
| C2 | C3 | C4 | 112.3° | 109.5° |
| C2 | C3 | H3 | 108.8° | 109.5° |
| C2 | C3 | H3A | 108.7° | 109.4° |
| C12 | N2 | C15 | 112.4° | 108.8° |
| C12 | N2 | C16 | 119.5° | 125.6° |
| N2 | C12 | C11 | 111.3° | 109.9° |
| N2 | C12 | C13 | 103.4° | 107.2° |
| N2 | C12 | H12 | 110.9° | 110.0° |
| C15 | N2 | C16 | 128.1° | 125.6° |
| N2 | C15 | C14 | 102.2° | 104.8° |
| N2 | C15 | H15 | 111.2° | 110.4° |
| N2 | C15 | H15A | 111.3° | 110.3° |
| N2 | C16 | O4 | 122.2° | 120.0° |
| N2 | C16 | C17 | 117.5° | 120.0° |
| O2 | C10 | C7 | 124.4° | 124.9° |
| C3 | C4 | C5 | 109.6° | 109.5° |
| C4 | C3 | H3 | 108.8° | 109.5° |
| C4 | C3 | H3A | 108.8° | 109.4° |
| C3 | C4 | H4 | 109.4° | 109.5° |
| C3 | C4 | H4A | 109.4° | 109.4° |
| C17 | N3 | C21 | 120.2° | 120.0° |
| N3 | C17 | C16 | 108.3° | 109.5° |
| N3 | C17 | C18 | 114.4° | 109.5° |
| C17 | N3 | HN3 | 119.9° | 120.0° |
| N3 | C17 | H17 | 108.2° | 109.5° |
| N3 | C21 | O5 | 124.0° | 120.0° |
| N3 | C21 | C22 | 115.0° | 120.0° |
| C21 | N3 | HN3 | 119.9° | 120.0° |
| O3 | C11 | C12 | 122.4° | 120.0° |
| C4 | C5 | C6 | 114.3° | 109.5° |
| C5 | C4 | H4 | 109.4° | 109.5° |
| C5 | C4 | H4A | 109.4° | 109.5° |
| C4 | C5 | H5 | 107.0° | 109.4° |
| O6 | N4 | C22 | 104.1° | 111.4° |
| N4 | O6 | C24 | 108.5° | 111.9° |
| N4 | C22 | C21 | 120.2° | 127.0° |
| N4 | C22 | C23 | 112.2° | 106.1° |
| O4 | C16 | C17 | 120.2° | 120.0° |
| C5 | C6 | C7 | 112.3° | 109.5° |
| C6 | C5 | H5 | 107.1° | 109.5° |
| C5 | C6 | H6 | 108.8° | 109.5° |
| C5 | C6 | H6A | 108.7° | 109.5° |
| O5 | C21 | C22 | 121.0° | 120.0° |
| C6 | C7 | C8 | 116.9° | 110.5° |
| C6 | C7 | C10 | 112.1° | 110.5° |
| C7 | C6 | H6 | 108.7° | 109.5° |
| C7 | C6 | H6A | 108.8° | 109.4° |
| C6 | C7 | H7 | 108.0° | 110.4° |
| O6 | C24 | C23 | 109.9° | 106.7° |
| O6 | C24 | C25 | 116.0° | 126.7° |
| C8 | C7 | C10 | 103.0° | 104.2° |
| C7 | C8 | C9 | 103.7° | 101.8° |
| C8 | C7 | H7 | 108.1° | 110.5° |
| C7 | C8 | H8 | 110.9° | 111.0° |
| C7 | C8 | H8A | 110.9° | 111.0° |
| C10 | C7 | H7 | 108.4° | 110.6° |
| C9 | C8 | H8 | 110.9° | 111.0° |
| C9 | C8 | H8A | 110.9° | 111.0° |
| C8 | C9 | H9 | 111.1° | 110.2° |
| C8 | C9 | H9A | 111.2° | 110.3° |
| C11 | C12 | C13 | 111.0° | 109.8° |
| C11 | C12 | H12 | 110.0° | 109.9° |
| C12 | C13 | C14 | 103.6° | 103.0° |
| C13 | C12 | H12 | 110.0° | 110.1° |
| C12 | C13 | H13 | 110.9° | 110.7° |
| C12 | C13 | H13A | 110.9° | 110.6° |
| C13 | C14 | C15 | 101.7° | 101.6° |
| C13 | C14 | C26 | 109.2° | 111.0° |
| C14 | C13 | H13 | 110.9° | 110.8° |
| C14 | C13 | H13A | 110.9° | 110.7° |
| C13 | C14 | H14 | 109.5° | 110.9° |
| C15 | C14 | C26 | 116.5° | 111.0° |
| C15 | C14 | H14 | 109.7° | 111.0° |
| C14 | C15 | H15 | 111.3° | 110.4° |
| C14 | C15 | H15A | 111.3° | 110.4° |
| C14 | C26 | C27 | 119.9° | 120.1° |
| C14 | C26 | C31 | 121.7° | 120.0° |
| C26 | C14 | H14 | 109.9° | 110.9° |
| C16 | C17 | C18 | 111.3° | 109.4° |
| C16 | C17 | H17 | 107.3° | 109.5° |
| C17 | C18 | C19 | 112.0° | 109.5° |
| C17 | C18 | C20 | 113.5° | 109.5° |
| C18 | C17 | H17 | 107.1° | 109.4° |
| C17 | C18 | H18 | 106.1° | 109.5° |
| C19 | C18 | C20 | 111.9° | 109.5° |
| C19 | C18 | H18 | 106.3° | 109.5° |
| C18 | C19 | H19 | 109.5° | 109.5° |
| C18 | C19 | H19A | 109.5° | 109.5° |
| C18 | C19 | H19B | 109.5° | 109.5° |
| C20 | C18 | H18 | 106.4° | 109.5° |
| C18 | C20 | H20 | 109.5° | 109.5° |
| C18 | C20 | H20A | 109.5° | 109.5° |
| C18 | C20 | H20B | 109.5° | 109.5° |
| C21 | C22 | C23 | 127.0° | 126.9° |
| C22 | C23 | C24 | 105.2° | 103.9° |
| C22 | C23 | H23 | 127.4° | 128.0° |
| C23 | C24 | C25 | 133.9° | 126.6° |
| C24 | C23 | H23 | 127.4° | 128.0° |
| C24 | C25 | H25 | 109.5° | 109.5° |
| C24 | C25 | H25A | 109.4° | 109.5° |
| C24 | C25 | H25B | 109.4° | 109.5° |
| C27 | C26 | C31 | 118.4° | 119.9° |
| C26 | C27 | C28 | 120.5° | 120.1° |
| C26 | C27 | H27 | 119.7° | 120.0° |
| C26 | C31 | C30 | 121.0° | 120.0° |
| C26 | C31 | H31 | 119.5° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | H28 | 119.7° | 120.0° |
| C28 | C29 | C30 | 119.6° | 120.0° |
| C29 | C28 | H28 | 119.8° | 120.0° |
| C28 | C29 | H29 | 120.3° | 120.0° |
| C29 | C30 | C31 | 120.0° | 120.0° |
| C30 | C29 | H29 | 120.2° | 120.0° |
| C29 | C30 | H30 | 120.0° | 120.0° |
| C31 | C30 | H30 | 120.0° | 120.0° |
| C30 | C31 | H31 | 119.5° | 120.0° |
| H | C | HA | 109.4° | 109.5° |
| H | C | HB | 109.5° | 109.4° |
| HA | C | HB | 109.5° | 109.5° |
| H1 | C1 | H1A | 109.5° | 109.5° |
| H3 | C3 | H3A | 109.5° | 109.6° |
| H4 | C4 | H4A | 109.5° | 109.5° |
| H6 | C6 | H6A | 109.5° | 109.5° |
| H8 | C8 | H8A | 109.5° | 110.8° |
| H9 | C9 | H9A | 109.5° | 110.3° |
| H13 | C13 | H13A | 109.5° | 110.8° |
| H15 | C15 | H15A | 109.4° | 110.5° |
| H19 | C19 | H19A | 109.5° | 109.4° |
| H19 | C19 | H19B | 109.5° | 109.5° |
| H19A | C19 | H19B | 109.5° | 109.5° |
| H20 | C20 | H20A | 109.5° | 109.4° |
| H20 | C20 | H20B | 109.5° | 109.5° |
| H20A | C20 | H20B | 109.5° | 109.5° |
| H25 | C25 | H25A | 109.5° | 109.4° |
| H25 | C25 | H25B | 109.5° | 109.5° |
| H25A | C25 | H25B | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C | C1 | O | H1 | 120.2° | 120.0° |
| C | C1 | O | H1A | 120.2° | 120.0° |
| C | C1 | O | C2 | 87.5° | 180.0° |
| C1 | C | H | HA | 120.0° | 120.0° |
| C1 | C | H | HB | 120.0° | 120.0° |
| C1 | C | HA | HB | 120.0° | 120.0° |
| C | C1 | H1 | H1A | 119.4° | 120.1° |
| C9 | N | C10 | HN | 180.0° | 179.7° |
| C9 | N | C10 | O2 | 173.3° | 179.7° |
| N | C9 | C8 | C7 | 27.4° | 25.4° |
| C9 | N | C10 | C7 | 4.2° | 0.4° |
| N | C9 | C8 | H9 | 118.9° | 119.0° |
| N | C9 | C8 | H9A | 118.9° | 119.0° |
| N | C9 | C8 | H8 | 91.7° | 143.5° |
| N | C9 | C8 | H8A | 146.4° | 92.7° |
| N | C9 | H9 | H9A | 123.2° | 122.0° |
| N | C10 | O2 | C7 | 177.2° | 179.9° |
| N | C10 | C7 | C6 | 140.4° | 102.4° |
| N | C10 | C7 | C8 | 13.9° | 16.3° |
| C10 | N | C9 | C8 | 20.5° | 17.0° |
| N | C10 | C7 | H7 | 100.5° | 135.0° |
| C10 | N | C9 | H9 | 98.4° | 136.0° |
| C10 | N | C9 | H9A | 139.4° | 102.0° |
| C1 | O | C2 | O1 | 21.6° | 0.0° |
| C1 | O | C2 | C3 | 155.9° | 180.0° |
| O | C1 | C | H | 180.0° | 60.0° |
| O | C1 | C | HA | 60.0° | 180.0° |
| O | C1 | C | HB | 60.0° | 60.0° |
| O | C1 | H1 | H1A | 119.5° | 119.9° |
| O | C2 | O1 | C3 | 177.1° | 180.0° |
| O | C2 | C3 | C4 | 152.7° | 180.0° |
| C2 | O | C1 | H1 | 152.3° | 60.0° |
| C2 | O | C1 | H1A | 32.7° | 60.0° |
| O | C2 | C3 | H3 | 32.3° | 60.0° |
| O | C2 | C3 | H3A | 86.8° | 60.0° |
| C5 | N1 | C11 | HN1 | 180.0° | 180.0° |
| N1 | C5 | C4 | C3 | 75.8° | 65.0° |
| C5 | N1 | C11 | O3 | 2.8° | 5.1° |
| N1 | C5 | C4 | C6 | 124.3° | 120.0° |
| N1 | C5 | C4 | H5 | 117.3° | 120.0° |
| N1 | C5 | C6 | H5 | 116.8° | 120.0° |
| N1 | C5 | C6 | C7 | 57.9° | 174.0° |
| C5 | N1 | C11 | C12 | 178.9° | 174.8° |
| N1 | C5 | C4 | H4 | 44.2° | 55.0° |
| N1 | C5 | C4 | H4A | 164.2° | 175.0° |
| N1 | C5 | C6 | H6 | 62.5° | 54.0° |
| N1 | C5 | C6 | H6A | 178.3° | 66.1° |
| N1 | C11 | C12 | N2 | 139.4° | 162.3° |
| N1 | C11 | O3 | C12 | 178.2° | 180.0° |
| C11 | N1 | C5 | C4 | 119.3° | 157.8° |
| C11 | N1 | C5 | C6 | 113.7° | 82.1° |
| N1 | C11 | C12 | C13 | 106.0° | 80.0° |
| C11 | N1 | C5 | H5 | 2.6° | 37.9° |
| N1 | C11 | C12 | H12 | 16.0° | 41.2° |
| O1 | C2 | C3 | C4 | 29.8° | 0.0° |
| O1 | C2 | C3 | H3 | 150.3° | 120.0° |
| O1 | C2 | C3 | H3A | 90.6° | 119.9° |
| C2 | C3 | C4 | H3 | 120.4° | 120.0° |
| C2 | C3 | C4 | H3A | 120.4° | 119.9° |
| C2 | C3 | C4 | C5 | 72.1° | 180.0° |
| C2 | C3 | H3 | H3A | 118.7° | 120.0° |
| C2 | C3 | C4 | H4 | 167.9° | 60.0° |
| C2 | C3 | C4 | H4A | 47.9° | 60.0° |
| C12 | N2 | C15 | C16 | 180.0° | 179.7° |
| N2 | C12 | C11 | O3 | 39.0° | 17.6° |
| C12 | N2 | C16 | O4 | 1.4° | 4.3° |
| N2 | C12 | C11 | C13 | 114.6° | 117.7° |
| N2 | C12 | C11 | H12 | 123.4° | 121.1° |
| N2 | C12 | C13 | H12 | 118.5° | 119.6° |
| N2 | C12 | C13 | C14 | 27.9° | 22.1° |
| C12 | N2 | C15 | C14 | 20.5° | 24.2° |
| C12 | N2 | C16 | C17 | 177.9° | 175.6° |
| N2 | C12 | C13 | H13 | 147.0° | 140.6° |
| N2 | C12 | C13 | H13A | 91.1° | 96.2° |
| C12 | N2 | C15 | H15 | 98.4° | 94.6° |
| C12 | N2 | C15 | H15A | 139.3° | 143.0° |
| C15 | N2 | C16 | O4 | 178.6° | 176.1° |
| C15 | N2 | C12 | C11 | 114.5° | 120.5° |
| C15 | N2 | C12 | C13 | 4.7° | 1.2° |
| N2 | C15 | C14 | C13 | 36.5° | 37.0° |
| N2 | C15 | C14 | H15 | 118.8° | 118.9° |
| N2 | C15 | C14 | H15A | 118.9° | 118.8° |
| N2 | C15 | C14 | C26 | 155.2° | 155.1° |
| C15 | N2 | C16 | C17 | 2.1° | 4.0° |
| C15 | N2 | C12 | H12 | 122.6° | 118.5° |
| N2 | C15 | C14 | H14 | 79.3° | 81.0° |
| N2 | C15 | H15 | H15A | 123.4° | 122.3° |
| N2 | C16 | C17 | N3 | 149.5° | 140.6° |
| N2 | C16 | O4 | C17 | 176.4° | 179.9° |
| C16 | N2 | C12 | C11 | 65.4° | 59.8° |
| C16 | N2 | C12 | C13 | 175.3° | 179.2° |
| C16 | N2 | C15 | C14 | 159.5° | 156.1° |
| N2 | C16 | C17 | C18 | 84.0° | 99.4° |
| C16 | N2 | C12 | H12 | 57.4° | 61.2° |
| C16 | N2 | C15 | H15 | 81.7° | 85.0° |
| C16 | N2 | C15 | H15A | 40.6° | 37.4° |
| N2 | C16 | C17 | H17 | 32.9° | 20.5° |
| O2 | C10 | C7 | C6 | 42.0° | 77.7° |
| O2 | C10 | C7 | C8 | 168.5° | 163.7° |
| O2 | C10 | N | HN | 6.6° | 0.1° |
| O2 | C10 | C7 | H7 | 77.1° | 44.9° |
| C3 | C4 | C5 | H4 | 120.0° | 120.0° |
| C3 | C4 | C5 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | C6 | 159.9° | 175.0° |
| C4 | C3 | H3 | H3A | 118.7° | 120.0° |
| C3 | C4 | H4 | H4A | 120.0° | 120.0° |
| C3 | C4 | C5 | H5 | 41.4° | 55.0° |
| C17 | N3 | C21 | HN3 | 180.0° | 180.0° |
| N3 | C17 | C16 | O4 | 33.9° | 39.3° |
| C17 | N3 | C21 | O5 | 9.9° | 0.0° |
| N3 | C17 | C16 | C18 | 126.5° | 120.0° |
| N3 | C17 | C16 | H17 | 116.6° | 120.1° |
| N3 | C17 | C18 | H17 | 119.9° | 120.0° |
| N3 | C17 | C18 | C19 | 67.3° | 177.1° |
| N3 | C17 | C18 | C20 | 60.6° | 57.1° |
| C17 | N3 | C21 | C22 | 170.5° | 180.0° |
| N3 | C17 | C18 | H18 | 177.2° | 62.9° |
| N3 | C21 | C22 | N4 | 8.8° | 0.0° |
| N3 | C21 | O5 | C22 | 179.7° | 180.0° |
| C21 | N3 | C17 | C16 | 117.1° | 155.0° |
| C21 | N3 | C17 | C18 | 118.2° | 85.0° |
| N3 | C21 | C22 | C23 | 178.5° | 179.9° |
| C21 | N3 | C17 | H17 | 1.1° | 35.0° |
| O3 | C11 | C12 | C13 | 75.7° | 100.1° |
| O3 | C11 | N1 | HN1 | 177.2° | 174.8° |
| O3 | C11 | C12 | H12 | 162.3° | 138.7° |
| C4 | C5 | C6 | H5 | 118.4° | 120.0° |
| C4 | C5 | C6 | C7 | 177.3° | 66.0° |
| C4 | C5 | N1 | HN1 | 60.7° | 22.1° |
| C5 | C4 | C3 | H3 | 48.4° | 60.0° |
| C5 | C4 | C3 | H3A | 167.5° | 60.1° |
| C5 | C4 | H4 | H4A | 119.9° | 120.0° |
| C4 | C5 | C6 | H6 | 62.3° | 174.0° |
| C4 | C5 | C6 | H6A | 56.9° | 53.9° |
| O6 | N4 | C22 | C21 | 174.0° | 179.9° |
| O6 | N4 | C22 | C23 | 2.9° | 0.0° |
| N4 | O6 | C24 | C23 | 2.3° | 0.0° |
| N4 | O6 | C24 | C25 | 178.4° | 179.9° |
| N4 | C22 | C21 | O5 | 171.5° | 180.0° |
| C22 | N4 | O6 | C24 | 0.4° | 0.0° |
| N4 | C22 | C21 | C23 | 169.7° | 179.9° |
| N4 | C22 | C23 | C24 | 4.3° | 0.0° |
| N4 | C22 | C23 | H23 | 175.7° | 180.0° |
| O4 | C16 | C17 | C18 | 92.6° | 80.7° |
| O4 | C16 | C17 | H17 | 150.5° | 159.4° |
| C5 | C6 | C7 | H6 | 120.4° | 120.0° |
| C5 | C6 | C7 | H6A | 120.4° | 120.0° |
| C5 | C6 | C7 | C8 | 59.2° | 176.7° |
| C5 | C6 | C7 | C10 | 177.8° | 68.6° |
| C6 | C5 | N1 | HN1 | 66.3° | 97.9° |
| C6 | C5 | C4 | H4 | 80.1° | 65.0° |
| C6 | C5 | C4 | H4A | 39.9° | 55.0° |
| C5 | C6 | H6 | H6A | 118.7° | 120.0° |
| C5 | C6 | C7 | H7 | 62.8° | 54.1° |
| O5 | C21 | C22 | C23 | 1.8° | 0.1° |
| O5 | C21 | N3 | HN3 | 170.1° | 180.0° |
| C6 | C7 | C8 | C10 | 123.4° | 118.7° |
| C6 | C7 | C8 | H7 | 122.0° | 122.5° |
| C6 | C7 | C10 | H7 | 119.1° | 122.6° |
| C6 | C7 | C8 | C9 | 148.6° | 93.8° |
| C7 | C6 | C5 | H5 | 58.9° | 53.9° |
| C7 | C6 | H6 | H6A | 118.7° | 120.0° |
| C6 | C7 | C8 | H8 | 29.5° | 24.3° |
| C6 | C7 | C8 | H8A | 92.4° | 148.0° |
| O6 | C24 | C23 | C22 | 3.9° | 0.1° |
| O6 | C24 | C23 | C25 | 175.2° | 180.0° |
| O6 | C24 | C23 | H23 | 176.1° | 180.0° |
| O6 | C24 | C25 | H25 | 0.0° | 0.1° |
| O6 | C24 | C25 | H25A | 120.0° | 120.0° |
| O6 | C24 | C25 | H25B | 120.0° | 120.0° |
| C8 | C7 | C10 | H7 | 114.4° | 118.7° |
| C7 | C8 | C9 | H8 | 119.1° | 118.1° |
| C7 | C8 | C9 | H8A | 119.1° | 118.2° |
| C8 | C7 | C6 | H6 | 179.6° | 63.3° |
| C8 | C7 | C6 | H6A | 61.2° | 56.7° |
| C7 | C8 | H8 | H8A | 122.7° | 123.8° |
| C7 | C8 | C9 | H9 | 91.5° | 144.4° |
| C7 | C8 | C9 | H9A | 146.2° | 93.5° |
| C10 | C7 | C8 | C9 | 25.2° | 24.8° |
| C7 | C10 | N | HN | 175.8° | 179.8° |
| C10 | C7 | C6 | H6 | 61.8° | 51.5° |
| C10 | C7 | C6 | H6A | 57.4° | 171.5° |
| C10 | C7 | C8 | H8 | 93.9° | 142.9° |
| C10 | C7 | C8 | H8A | 144.3° | 93.4° |
| C8 | C9 | N | HN | 159.5° | 163.2° |
| C9 | C8 | C7 | H7 | 89.4° | 143.6° |
| C9 | C8 | H8 | H8A | 122.7° | 123.8° |
| C8 | C9 | H9 | H9A | 123.2° | 122.0° |
| C11 | C12 | C13 | H12 | 122.0° | 121.1° |
| C11 | C12 | C13 | C14 | 91.6° | 97.2° |
| C12 | C11 | N1 | HN1 | 1.1° | 5.2° |
| C11 | C12 | C13 | H13 | 27.5° | 21.2° |
| C11 | C12 | C13 | H13A | 149.4° | 144.5° |
| C12 | C13 | C14 | H13 | 119.0° | 118.4° |
| C12 | C13 | C14 | H13A | 119.1° | 118.3° |
| C12 | C13 | C14 | C15 | 40.3° | 35.5° |
| C12 | C13 | C14 | C26 | 164.0° | 153.6° |
| C12 | C13 | H13 | H13A | 122.7° | 123.1° |
| C12 | C13 | C14 | H14 | 75.6° | 82.6° |
| C13 | C14 | C15 | C26 | 118.6° | 118.1° |
| C13 | C14 | C15 | H14 | 115.8° | 118.0° |
| C13 | C14 | C26 | H14 | 120.1° | 123.8° |
| C13 | C14 | C26 | C27 | 104.2° | 119.9° |
| C13 | C14 | C26 | C31 | 72.8° | 59.7° |
| C14 | C13 | C12 | H12 | 146.4° | 141.7° |
| C14 | C13 | H13 | H13A | 122.8° | 123.3° |
| C13 | C14 | C15 | H15 | 82.3° | 81.9° |
| C13 | C14 | C15 | H15A | 155.4° | 155.8° |
| C15 | C14 | C26 | H14 | 125.4° | 123.9° |
| C15 | C14 | C26 | C27 | 141.4° | 127.8° |
| C15 | C14 | C26 | C31 | 41.7° | 52.5° |
| C15 | C14 | C13 | H13 | 159.4° | 153.9° |
| C15 | C14 | C13 | H13A | 78.7° | 82.8° |
| C14 | C15 | H15 | H15A | 123.4° | 122.3° |
| C14 | C26 | C27 | C31 | 177.0° | 179.7° |
| C14 | C26 | C27 | C28 | 179.5° | 180.0° |
| C14 | C26 | C31 | C30 | 177.0° | 179.8° |
| C26 | C14 | C13 | H13 | 77.0° | 88.0° |
| C26 | C14 | C13 | H13A | 44.9° | 35.3° |
| C26 | C14 | C15 | H15 | 36.3° | 36.3° |
| C26 | C14 | C15 | H15A | 86.0° | 86.1° |
| C14 | C26 | C27 | H27 | 0.5° | 0.0° |
| C14 | C26 | C31 | H31 | 3.0° | 0.0° |
| C16 | C17 | C18 | H17 | 117.1° | 120.0° |
| C16 | C17 | C18 | C19 | 169.7° | 62.9° |
| C16 | C17 | C18 | C20 | 62.5° | 177.1° |
| C16 | C17 | N3 | HN3 | 62.9° | 24.9° |
| C16 | C17 | C18 | H18 | 54.1° | 57.1° |
| C17 | C18 | C19 | C20 | 128.7° | 120.0° |
| C17 | C18 | C19 | H18 | 115.5° | 120.0° |
| C17 | C18 | C20 | H18 | 116.4° | 120.0° |
| C18 | C17 | N3 | HN3 | 61.8° | 95.0° |
| C17 | C18 | C19 | H19 | 180.0° | 64.7° |
| C17 | C18 | C19 | H19A | 60.0° | 175.4° |
| C17 | C18 | C19 | H19B | 60.0° | 55.3° |
| C17 | C18 | C20 | H20 | 180.0° | 60.0° |
| C17 | C18 | C20 | H20A | 60.0° | 180.0° |
| C17 | C18 | C20 | H20B | 60.0° | 60.0° |
| C19 | C18 | C20 | H18 | 115.7° | 120.0° |
| C19 | C18 | C17 | H17 | 52.6° | 57.1° |
| C18 | C19 | H19 | H19A | 120.0° | 120.0° |
| C18 | C19 | H19 | H19B | 120.0° | 120.1° |
| C18 | C19 | H19A | H19B | 120.0° | 120.1° |
| C19 | C18 | C20 | H20 | 52.1° | 180.0° |
| C19 | C18 | C20 | H20A | 67.9° | 60.0° |
| C19 | C18 | C20 | H20B | 172.1° | 60.0° |
| C20 | C18 | C17 | H17 | 179.5° | 62.9° |
| C20 | C18 | C19 | H19 | 51.3° | 55.3° |
| C20 | C18 | C19 | H19A | 171.3° | 64.6° |
| C20 | C18 | C19 | H19B | 68.7° | 175.3° |
| C18 | C20 | H20 | H20A | 120.0° | 120.0° |
| C18 | C20 | H20 | H20B | 120.0° | 120.0° |
| C18 | C20 | H20A | H20B | 120.0° | 120.0° |
| C21 | C22 | C23 | C24 | 174.7° | 180.0° |
| C22 | C21 | N3 | HN3 | 9.6° | 0.0° |
| C21 | C22 | C23 | H23 | 5.3° | 0.1° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 179.1° | 179.9° |
| C23 | C24 | C25 | H25 | 175.0° | 180.0° |
| C23 | C24 | C25 | H25A | 65.0° | 60.0° |
| C23 | C24 | C25 | H25B | 55.0° | 60.0° |
| C25 | C24 | C23 | H23 | 0.9° | 0.0° |
| C24 | C25 | H25 | H25A | 120.0° | 120.0° |
| C24 | C25 | H25 | H25B | 120.0° | 120.1° |
| C24 | C25 | H25A | H25B | 120.0° | 120.1° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 3.1° | 0.0° |
| C27 | C26 | C31 | C30 | 0.1° | 0.5° |
| C27 | C26 | C14 | H14 | 16.0° | 3.9° |
| C26 | C27 | C28 | H28 | 177.0° | 179.9° |
| C27 | C26 | C31 | H31 | 180.0° | 179.7° |
| C31 | C26 | C27 | C28 | 2.5° | 0.3° |
| C26 | C31 | C30 | C29 | 1.9° | 0.5° |
| C26 | C31 | C30 | H31 | 180.0° | 179.8° |
| C31 | C26 | C14 | H14 | 167.1° | 176.4° |
| C31 | C26 | C27 | H27 | 177.5° | 179.7° |
| C26 | C31 | C30 | H30 | 178.1° | 179.7° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 1.1° | 0.0° |
| C27 | C28 | C29 | H29 | 178.9° | 179.9° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 1.3° | 0.2° |
| C29 | C28 | C27 | H27 | 177.0° | 180.0° |
| C28 | C29 | C30 | H30 | 178.7° | 180.0° |
| C29 | C30 | C31 | H30 | 180.0° | 179.9° |
| C30 | C29 | C28 | H28 | 178.9° | 180.0° |
| C29 | C30 | C31 | H31 | 178.1° | 179.8° |
| C31 | C30 | C29 | H29 | 178.7° | 179.8° |
| H | C | HA | HB | 120.0° | 120.0° |
| H | C | C1 | H1 | 59.8° | 180.0° |
| H | C | C1 | H1A | 59.8° | 60.0° |
| HA | C | C1 | H1 | 60.1° | 60.0° |
| HA | C | C1 | H1A | 179.8° | 60.0° |
| HB | C | C1 | H1 | 179.8° | 60.0° |
| HB | C | C1 | H1A | 60.2° | 179.9° |
| HN | N | C9 | H9 | 81.6° | 44.3° |
| HN | N | C9 | H9A | 40.6° | 77.7° |
| HN1 | N1 | C5 | H5 | 177.4° | 142.1° |
| H3 | C3 | C4 | H4 | 71.7° | 180.0° |
| H3 | C3 | C4 | H4A | 168.4° | 60.0° |
| H3A | C3 | C4 | H4 | 47.5° | 60.0° |
| H3A | C3 | C4 | H4A | 72.5° | 180.0° |
| HN3 | N3 | C17 | H17 | 179.0° | 145.0° |
| H4 | C4 | C5 | H5 | 161.5° | 175.0° |
| H4A | C4 | C5 | H5 | 78.6° | 65.0° |
| H5 | C5 | C6 | H6 | 179.3° | 66.1° |
| H5 | C5 | C6 | H6A | 61.5° | 173.9° |
| H6 | C6 | C7 | H7 | 57.6° | 174.1° |
| H6A | C6 | C7 | H7 | 176.7° | 65.8° |
| H7 | C7 | C8 | H8 | 151.5° | 98.3° |
| H7 | C7 | C8 | H8A | 29.6° | 25.5° |
| H8 | C8 | C9 | H9 | 149.4° | 97.5° |
| H8 | C8 | C9 | H9A | 27.1° | 24.6° |
| H8A | C8 | C9 | H9 | 27.5° | 26.2° |
| H8A | C8 | C9 | H9A | 94.7° | 148.3° |
| H12 | C12 | C13 | H13 | 94.6° | 99.9° |
| H12 | C12 | C13 | H13A | 27.3° | 23.4° |
| H13 | C13 | C14 | H14 | 43.4° | 35.8° |
| H13A | C13 | C14 | H14 | 165.3° | 159.1° |
| H14 | C14 | C15 | H15 | 161.9° | 160.1° |
| H14 | C14 | C15 | H15A | 39.6° | 37.8° |
| H17 | C17 | C18 | H18 | 63.0° | 177.1° |
| H18 | C18 | C19 | H19 | 64.5° | 175.3° |
| H18 | C18 | C19 | H19A | 55.5° | 55.4° |
| H18 | C18 | C19 | H19B | 175.5° | 64.7° |
| H18 | C18 | C20 | H20 | 63.6° | 60.0° |
| H18 | C18 | C20 | H20A | 176.4° | 60.0° |
| H18 | C18 | C20 | H20B | 56.4° | 180.0° |
| H19 | C19 | H19A | H19B | 120.0° | 119.9° |
| H20 | C20 | H20A | H20B | 120.0° | 120.0° |
| H25 | C25 | H25A | H25B | 120.0° | 120.0° |
| H27 | C27 | C28 | H28 | 3.0° | 0.1° |
| H28 | C28 | C29 | H29 | 1.1° | 0.0° |
| H29 | C29 | C30 | H30 | 1.3° | 0.0° |
| H30 | C30 | C31 | H31 | 1.9° | 0.1° |
