HR2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.39Å | 1.35Å | Aromatic |
| N1 | C10 | sing | 1.47Å | 1.50Å | |
| N1 | C3 | sing | 1.34Å | 1.35Å | Aromatic |
| C4 | C6 | sing | 1.50Å | 1.51Å | |
| C4 | C1 | doub | 1.36Å | 1.39Å | Aromatic |
| C4 | C5 | sing | 1.41Å | 1.38Å | Aromatic |
| C5 | C9 | sing | 1.48Å | 1.49Å | Aromatic |
| C5 | C3 | doub | 1.36Å | 1.38Å | Aromatic |
| C6 | C2 | sing | 1.51Å | 1.53Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C15 | sing | 1.39Å | 1.39Å | Aromatic |
| C7 | F1 | sing | 1.35Å | 1.35Å | |
| C7 | C18 | doub | 1.39Å | 1.39Å | Aromatic |
| C8 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C8 | C9 | sing | 1.39Å | 1.39Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| C10 | C11 | sing | 1.53Å | 1.53Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | N15 | sing | 1.31Å | 1.34Å | |
| C13 | C1 | sing | 1.46Å | 1.49Å | |
| C13 | O14 | doub | 1.22Å | 1.22Å | |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C17 | C28 | doub | 1.39Å | 1.40Å | Aromatic |
| C17 | C32 | sing | 1.39Å | 1.40Å | Aromatic |
| C17 | N15 | sing | 1.40Å | 1.37Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C20 | C21 | sing | 1.53Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | O33 | sing | 1.43Å | 1.42Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | sing | 1.53Å | 1.52Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C24 | C23 | sing | 1.53Å | 1.52Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C9 | C14 | doub | 1.39Å | 1.40Å | Aromatic |
| C14 | C18 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C3 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| O33 | HO33 | sing | 0.97Å | 0.95Å | |
| C23 | O34 | sing | 1.43Å | 1.41Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| O34 | HO34 | sing | 0.97Å | 0.95Å | |
| C25 | O27 | doub | 1.21Å | 1.33Å | |
| C25 | O26 | sing | 1.34Å | 1.22Å | |
| O26 | HO26 | sing | 0.97Å | 0.95Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C12 | H123 | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C11 | H113 | sing | 1.09Å | 1.10Å | |
| C2 | C16 | sing | 1.50Å | 1.54Å | |
| C2 | H21A | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | N15 | sing | 1.44Å | 1.46Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | H32 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | C10 | 126.4° | 125.4° |
| C1 | N1 | C3 | 108.8° | 109.3° |
| N1 | C1 | C4 | 111.1° | 107.4° |
| N1 | C1 | C13 | 130.8° | 123.5° |
| C10 | N1 | C3 | 124.8° | 125.3° |
| N1 | C10 | C12 | 109.4° | 109.5° |
| N1 | C10 | C11 | 110.9° | 109.5° |
| N1 | C10 | H10 | 109.8° | 109.5° |
| N1 | C3 | C5 | 105.5° | 108.5° |
| N1 | C3 | C19 | 127.4° | 125.7° |
| C6 | C4 | C1 | 126.8° | 128.1° |
| C6 | C4 | C5 | 130.8° | 124.6° |
| C4 | C6 | C2 | 109.8° | 113.1° |
| C4 | C6 | H61 | 109.4° | 108.8° |
| C4 | C6 | H62 | 109.3° | 108.7° |
| C1 | C4 | C5 | 102.4° | 107.3° |
| C4 | C1 | C13 | 118.1° | 129.1° |
| C4 | C5 | C9 | 124.7° | 126.2° |
| C4 | C5 | C3 | 112.2° | 107.5° |
| C9 | C5 | C3 | 123.1° | 126.3° |
| C5 | C9 | C8 | 120.2° | 120.1° |
| C5 | C9 | C14 | 120.0° | 120.1° |
| C5 | C3 | C19 | 127.2° | 125.7° |
| C2 | C6 | H61 | 109.4° | 108.8° |
| C2 | C6 | H62 | 109.3° | 108.8° |
| C6 | C2 | C16 | 116.3° | 113.7° |
| C6 | C2 | H21A | 107.2° | 108.7° |
| C6 | C2 | H22 | 105.7° | 108.6° |
| H61 | C6 | H62 | 109.7° | 108.7° |
| C15 | C7 | F1 | 119.4° | 119.9° |
| C15 | C7 | C18 | 119.9° | 120.2° |
| C7 | C15 | C8 | 120.3° | 120.0° |
| C7 | C15 | H15 | 119.8° | 120.0° |
| F1 | C7 | C18 | 120.7° | 119.9° |
| C7 | C18 | C14 | 119.8° | 120.1° |
| C7 | C18 | H18 | 120.1° | 120.0° |
| C15 | C8 | C9 | 120.0° | 119.9° |
| C15 | C8 | H8 | 120.0° | 120.0° |
| C8 | C15 | H15 | 119.8° | 120.0° |
| C9 | C8 | H8 | 120.0° | 120.1° |
| C8 | C9 | C14 | 119.9° | 119.8° |
| C12 | C10 | C11 | 112.8° | 109.5° |
| C12 | C10 | H10 | 107.8° | 109.4° |
| C10 | C12 | H121 | 109.5° | 109.4° |
| C10 | C12 | H122 | 109.5° | 109.5° |
| C10 | C12 | H123 | 109.4° | 109.5° |
| C11 | C10 | H10 | 106.1° | 109.5° |
| C10 | C11 | H111 | 109.5° | 109.4° |
| C10 | C11 | H112 | 109.4° | 109.4° |
| C10 | C11 | H113 | 109.4° | 109.4° |
| N15 | C13 | C1 | 118.7° | 129.1° |
| N15 | C13 | O14 | 122.2° | 115.5° |
| C13 | N15 | C17 | 118.3° | 115.5° |
| C13 | N15 | C16 | 124.1° | 129.1° |
| C1 | C13 | O14 | 117.2° | 115.5° |
| C28 | C17 | C32 | 119.4° | 119.8° |
| C28 | C17 | N15 | 120.6° | 120.1° |
| C17 | C28 | C29 | 120.6° | 119.9° |
| C17 | C28 | H28 | 119.7° | 120.0° |
| C32 | C17 | N15 | 120.0° | 120.1° |
| C17 | C32 | C31 | 119.9° | 119.9° |
| C17 | C32 | H32 | 120.1° | 120.0° |
| C17 | N15 | C16 | 117.4° | 115.5° |
| C19 | C20 | C21 | 111.2° | 109.5° |
| C19 | C20 | H201 | 108.9° | 109.5° |
| C19 | C20 | H202 | 108.5° | 109.5° |
| C20 | C19 | C3 | 108.5° | 109.5° |
| C20 | C19 | H191 | 109.8° | 109.4° |
| C20 | C19 | H192 | 110.0° | 109.5° |
| C21 | C20 | H201 | 108.9° | 109.4° |
| C21 | C20 | H202 | 108.5° | 109.5° |
| C20 | C21 | O33 | 109.4° | 109.5° |
| C20 | C21 | C22 | 109.8° | 109.5° |
| C20 | C21 | H21 | 109.0° | 109.5° |
| H201 | C20 | H202 | 110.8° | 109.5° |
| O33 | C21 | C22 | 108.8° | 109.4° |
| O33 | C21 | H21 | 110.1° | 109.5° |
| C21 | O33 | HO33 | 109.5° | 114.0° |
| C22 | C21 | H21 | 109.7° | 109.5° |
| C21 | C22 | C23 | 111.6° | 109.5° |
| C21 | C22 | H221 | 108.7° | 109.5° |
| C21 | C22 | H222 | 108.3° | 109.5° |
| C23 | C22 | H221 | 108.8° | 109.5° |
| C23 | C22 | H222 | 108.3° | 109.5° |
| C22 | C23 | C24 | 109.7° | 109.5° |
| C22 | C23 | O34 | 109.7° | 109.5° |
| C22 | C23 | H23 | 109.3° | 109.5° |
| H221 | C22 | H222 | 111.2° | 109.4° |
| C23 | C24 | C25 | 108.6° | 109.5° |
| C23 | C24 | H241 | 109.7° | 109.5° |
| C23 | C24 | H242 | 110.0° | 109.5° |
| C24 | C23 | O34 | 109.9° | 109.5° |
| C24 | C23 | H23 | 109.1° | 109.5° |
| C25 | C24 | H241 | 109.7° | 109.5° |
| C25 | C24 | H242 | 109.9° | 109.4° |
| C24 | C25 | O27 | 120.0° | 120.0° |
| C24 | C25 | O26 | 119.9° | 120.0° |
| H241 | C24 | H242 | 108.8° | 109.5° |
| C29 | C28 | H28 | 119.7° | 120.1° |
| C28 | C29 | C30 | 119.9° | 120.1° |
| C28 | C29 | H29 | 120.1° | 120.0° |
| C9 | C14 | C18 | 120.1° | 119.9° |
| C9 | C14 | H14 | 119.9° | 120.0° |
| C18 | C14 | H14 | 119.9° | 120.1° |
| C14 | C18 | H18 | 120.1° | 119.9° |
| C3 | C19 | H191 | 109.8° | 109.5° |
| C3 | C19 | H192 | 110.0° | 109.5° |
| H191 | C19 | H192 | 108.7° | 109.4° |
| O34 | C23 | H23 | 109.1° | 109.4° |
| C23 | O34 | HO34 | 109.5° | 114.0° |
| O27 | C25 | O26 | 120.0° | 120.0° |
| C25 | O26 | HO26 | 109.5° | 117.0° |
| H121 | C12 | H122 | 109.5° | 109.4° |
| H121 | C12 | H123 | 109.5° | 109.5° |
| H122 | C12 | H123 | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H111 | C11 | H113 | 109.5° | 109.5° |
| H112 | C11 | H113 | 109.5° | 109.5° |
| C16 | C2 | H21A | 107.3° | 108.6° |
| C16 | C2 | H22 | 105.7° | 108.6° |
| C2 | C16 | N15 | 109.8° | 114.5° |
| C2 | C16 | H161 | 109.4° | 108.5° |
| C2 | C16 | H162 | 109.3° | 108.5° |
| H21A | C2 | H22 | 115.0° | 108.5° |
| N15 | C16 | H161 | 109.4° | 108.5° |
| N15 | C16 | H162 | 109.3° | 108.5° |
| H161 | C16 | H162 | 109.7° | 108.2° |
| C30 | C29 | H29 | 120.1° | 119.9° |
| C29 | C30 | C31 | 119.7° | 120.1° |
| C29 | C30 | H30 | 120.1° | 120.0° |
| C31 | C30 | H30 | 120.2° | 119.9° |
| C30 | C31 | C32 | 120.5° | 120.1° |
| C30 | C31 | H31 | 119.7° | 120.0° |
| C32 | C31 | H31 | 119.8° | 120.0° |
| C31 | C32 | H32 | 120.0° | 120.1° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | C10 | C3 | 179.2° | 179.7° |
| N1 | C1 | C4 | C6 | 179.6° | 178.9° |
| N1 | C1 | C4 | C13 | 179.7° | 179.3° |
| N1 | C1 | C4 | C5 | 0.2° | 0.6° |
| C1 | N1 | C3 | C5 | 0.4° | 0.5° |
| C1 | N1 | C10 | C12 | 54.9° | 126.8° |
| C1 | N1 | C10 | C11 | 70.1° | 113.2° |
| C1 | N1 | C10 | H10 | 172.9° | 6.8° |
| N1 | C1 | C13 | N15 | 139.3° | 179.3° |
| N1 | C1 | C13 | O14 | 55.7° | 0.7° |
| C1 | N1 | C3 | C19 | 180.0° | 179.5° |
| C10 | N1 | C1 | C4 | 179.7° | 179.0° |
| C10 | N1 | C3 | C5 | 179.7° | 179.2° |
| N1 | C10 | C12 | C11 | 123.9° | 120.0° |
| N1 | C10 | C12 | H10 | 119.3° | 120.0° |
| N1 | C10 | C11 | H10 | 119.2° | 120.0° |
| C10 | N1 | C1 | C13 | 0.6° | 1.7° |
| C10 | N1 | C3 | C19 | 0.7° | 0.8° |
| N1 | C10 | C12 | H121 | 157.4° | 65.2° |
| N1 | C10 | C12 | H122 | 82.6° | 174.8° |
| N1 | C10 | C12 | H123 | 37.4° | 54.8° |
| N1 | C10 | C11 | H111 | 65.5° | 65.1° |
| N1 | C10 | C11 | H112 | 54.5° | 174.9° |
| N1 | C10 | C11 | H113 | 174.5° | 54.9° |
| C3 | N1 | C1 | C4 | 0.4° | 0.7° |
| N1 | C3 | C5 | C4 | 0.2° | 0.1° |
| N1 | C3 | C5 | C9 | 179.7° | 179.9° |
| N1 | C3 | C5 | C19 | 179.6° | 180.0° |
| C3 | N1 | C10 | C12 | 124.3° | 52.9° |
| C3 | N1 | C10 | C11 | 110.7° | 67.2° |
| C3 | N1 | C10 | H10 | 6.3° | 172.8° |
| C3 | N1 | C1 | C13 | 179.9° | 178.6° |
| N1 | C3 | C19 | C20 | 70.6° | 95.8° |
| N1 | C3 | C19 | H191 | 49.4° | 24.2° |
| N1 | C3 | C19 | H192 | 169.0° | 144.1° |
| C6 | C4 | C1 | C5 | 179.4° | 179.5° |
| C6 | C4 | C5 | C9 | 0.7° | 0.8° |
| C6 | C4 | C5 | C3 | 179.4° | 179.2° |
| C4 | C6 | C2 | H61 | 120.0° | 120.9° |
| C4 | C6 | C2 | H62 | 119.8° | 120.9° |
| C4 | C6 | H61 | H62 | 119.8° | 118.2° |
| C6 | C4 | C1 | C13 | 0.6° | 1.8° |
| C4 | C6 | C2 | C16 | 41.3° | 73.5° |
| C4 | C6 | C2 | H21A | 78.7° | 47.6° |
| C4 | C6 | C2 | H22 | 158.2° | 165.5° |
| C1 | C4 | C5 | C9 | 180.0° | 179.7° |
| C1 | C4 | C5 | C3 | 0.0° | 0.3° |
| C1 | C4 | C6 | C2 | 66.2° | 32.5° |
| C1 | C4 | C6 | H61 | 173.8° | 153.4° |
| C1 | C4 | C6 | H62 | 53.7° | 88.4° |
| C4 | C1 | C13 | N15 | 41.1° | 0.1° |
| C4 | C1 | C13 | O14 | 124.0° | 179.9° |
| C4 | C5 | C9 | C3 | 180.0° | 180.0° |
| C5 | C4 | C6 | C2 | 113.1° | 148.1° |
| C5 | C4 | C6 | H61 | 6.9° | 27.1° |
| C5 | C4 | C6 | H62 | 127.1° | 91.0° |
| C4 | C5 | C9 | C8 | 70.7° | 65.0° |
| C5 | C4 | C1 | C13 | 180.0° | 178.7° |
| C4 | C5 | C9 | C14 | 110.0° | 115.5° |
| C4 | C5 | C3 | C19 | 179.8° | 179.9° |
| C5 | C9 | C8 | C15 | 179.6° | 180.0° |
| C5 | C9 | C8 | C14 | 179.3° | 179.5° |
| C5 | C9 | C8 | H8 | 0.4° | 0.1° |
| C5 | C9 | C14 | C18 | 179.7° | 179.7° |
| C5 | C9 | C14 | H14 | 0.3° | 0.0° |
| C9 | C5 | C3 | C19 | 0.1° | 0.1° |
| C3 | C5 | C9 | C8 | 109.3° | 115.0° |
| C5 | C3 | C19 | C20 | 108.9° | 84.2° |
| C3 | C5 | C9 | C14 | 69.9° | 64.5° |
| C5 | C3 | C19 | H191 | 131.1° | 155.8° |
| C5 | C3 | C19 | H192 | 11.5° | 35.8° |
| C2 | C6 | H61 | H62 | 119.9° | 118.2° |
| C6 | C2 | C16 | H21A | 120.0° | 121.2° |
| C6 | C2 | C16 | H22 | 116.9° | 121.0° |
| C6 | C2 | H21A | H22 | 117.2° | 117.9° |
| C6 | C2 | C16 | N15 | 37.0° | 77.5° |
| C6 | C2 | C16 | H161 | 83.0° | 161.1° |
| C6 | C2 | C16 | H162 | 156.9° | 43.7° |
| H61 | C6 | C2 | C16 | 161.3° | 165.6° |
| H61 | C6 | C2 | H21A | 41.3° | 73.3° |
| H61 | C6 | C2 | H22 | 81.8° | 44.6° |
| H62 | C6 | C2 | C16 | 78.5° | 47.4° |
| H62 | C6 | C2 | H21A | 161.5° | 168.5° |
| H62 | C6 | C2 | H22 | 38.3° | 73.6° |
| C15 | C7 | F1 | C18 | 179.9° | 179.8° |
| C7 | C15 | C8 | H15 | 180.0° | 180.0° |
| C7 | C15 | C8 | C9 | 0.1° | 0.0° |
| C7 | C15 | C8 | H8 | 179.9° | 179.9° |
| C15 | C7 | C18 | C14 | 0.0° | 0.0° |
| C15 | C7 | C18 | H18 | 180.0° | 180.0° |
| F1 | C7 | C15 | C8 | 180.0° | 180.0° |
| F1 | C7 | C15 | H15 | 0.1° | 0.0° |
| F1 | C7 | C18 | C14 | 179.9° | 179.7° |
| F1 | C7 | C18 | H18 | 0.2° | 0.2° |
| C18 | C7 | C15 | C8 | 0.1° | 0.2° |
| C18 | C7 | C15 | H15 | 179.9° | 179.8° |
| C7 | C18 | C14 | C9 | 0.3° | 0.5° |
| C7 | C18 | C14 | H18 | 180.0° | 179.9° |
| C7 | C18 | C14 | H14 | 179.7° | 179.7° |
| C15 | C8 | C9 | H8 | 180.0° | 179.9° |
| C15 | C8 | C9 | C14 | 0.3° | 0.5° |
| C9 | C8 | C15 | H15 | 179.9° | 180.0° |
| C8 | C9 | C14 | C18 | 0.4° | 0.7° |
| C8 | C9 | C14 | H14 | 179.6° | 179.5° |
| H8 | C8 | C15 | H15 | 0.1° | 0.1° |
| H8 | C8 | C9 | C14 | 179.7° | 179.5° |
| C12 | C10 | C11 | H10 | 117.8° | 119.9° |
| C10 | C12 | H121 | H122 | 120.0° | 120.0° |
| C10 | C12 | H121 | H123 | 120.0° | 120.0° |
| C10 | C12 | H122 | H123 | 120.0° | 120.0° |
| C12 | C10 | C11 | H111 | 57.6° | 174.9° |
| C12 | C10 | C11 | H112 | 177.5° | 54.8° |
| C12 | C10 | C11 | H113 | 62.4° | 65.2° |
| C11 | C10 | C12 | H121 | 33.5° | 54.8° |
| C11 | C10 | C12 | H122 | 153.6° | 65.1° |
| C11 | C10 | C12 | H123 | 86.4° | 174.8° |
| C10 | C11 | H111 | H112 | 120.0° | 120.0° |
| C10 | C11 | H111 | H113 | 120.0° | 120.0° |
| C10 | C11 | H112 | H113 | 120.0° | 120.0° |
| H10 | C10 | C12 | H121 | 83.3° | 174.8° |
| H10 | C10 | C12 | H122 | 36.7° | 54.8° |
| H10 | C10 | C12 | H123 | 156.7° | 65.2° |
| H10 | C10 | C11 | H111 | 175.3° | 54.9° |
| H10 | C10 | C11 | H112 | 64.7° | 65.1° |
| H10 | C10 | C11 | H113 | 55.3° | 174.9° |
| N15 | C13 | C1 | O14 | 165.1° | 180.0° |
| C13 | N15 | C17 | C28 | 71.7° | 97.9° |
| C13 | N15 | C17 | C32 | 108.7° | 82.4° |
| C13 | N15 | C17 | C16 | 176.3° | 179.9° |
| C13 | N15 | C16 | C2 | 80.7° | 37.9° |
| C13 | N15 | C16 | H161 | 39.3° | 159.2° |
| C13 | N15 | C16 | H162 | 159.5° | 83.4° |
| C1 | C13 | N15 | C17 | 166.7° | 175.8° |
| C1 | C13 | N15 | C16 | 17.3° | 4.1° |
| O14 | C13 | N15 | C17 | 2.4° | 4.2° |
| O14 | C13 | N15 | C16 | 178.4° | 175.9° |
| C28 | C17 | C32 | N15 | 179.6° | 179.7° |
| C17 | C28 | C29 | H28 | 180.0° | 180.0° |
| C28 | C17 | N15 | C16 | 104.6° | 82.2° |
| C17 | C28 | C29 | C30 | 0.4° | 0.0° |
| C17 | C28 | C29 | H29 | 179.6° | 180.0° |
| C28 | C17 | C32 | C31 | 0.7° | 0.0° |
| C28 | C17 | C32 | H32 | 179.3° | 180.0° |
| C32 | C17 | C28 | C29 | 0.7° | 0.0° |
| C32 | C17 | C28 | H28 | 179.3° | 180.0° |
| C32 | C17 | N15 | C16 | 75.0° | 97.5° |
| C17 | C32 | C31 | C30 | 0.3° | 0.0° |
| C17 | C32 | C31 | H32 | 180.0° | 180.0° |
| C17 | C32 | C31 | H31 | 179.7° | 180.0° |
| N15 | C17 | C28 | C29 | 179.8° | 179.7° |
| N15 | C17 | C28 | H28 | 0.3° | 0.3° |
| C17 | N15 | C16 | C2 | 103.3° | 142.1° |
| C17 | N15 | C16 | H161 | 136.7° | 20.7° |
| C17 | N15 | C16 | H162 | 16.6° | 96.7° |
| N15 | C17 | C32 | C31 | 179.8° | 179.7° |
| N15 | C17 | C32 | H32 | 0.2° | 0.3° |
| C19 | C20 | C21 | H201 | 120.0° | 120.0° |
| C19 | C20 | C21 | H202 | 119.3° | 120.0° |
| C19 | C20 | H201 | H202 | 119.3° | 120.1° |
| C19 | C20 | C21 | O33 | 82.5° | 65.0° |
| C19 | C20 | C21 | C22 | 158.2° | 175.0° |
| C19 | C20 | C21 | H21 | 38.0° | 55.0° |
| C20 | C19 | C3 | H191 | 120.0° | 120.0° |
| C20 | C19 | C3 | H192 | 120.4° | 120.1° |
| C20 | C19 | H191 | H192 | 120.4° | 120.0° |
| C21 | C20 | H201 | H202 | 119.3° | 120.0° |
| C20 | C21 | O33 | C22 | 119.9° | 120.0° |
| C20 | C21 | O33 | H21 | 119.8° | 120.0° |
| C20 | C21 | C22 | H21 | 119.8° | 120.1° |
| C20 | C21 | C22 | C23 | 73.2° | 175.0° |
| C20 | C21 | C22 | H221 | 166.8° | 64.9° |
| C20 | C21 | C22 | H222 | 45.9° | 55.0° |
| C21 | C20 | C19 | C3 | 180.0° | 175.8° |
| C21 | C20 | C19 | H191 | 60.1° | 55.8° |
| C21 | C20 | C19 | H192 | 59.6° | 64.2° |
| C20 | C21 | O33 | HO33 | 119.2° | 60.0° |
| H201 | C20 | C21 | O33 | 37.5° | 175.0° |
| H201 | C20 | C21 | C22 | 81.8° | 55.0° |
| H201 | C20 | C21 | H21 | 158.0° | 65.0° |
| H201 | C20 | C19 | C3 | 60.0° | 64.3° |
| H201 | C20 | C19 | H191 | 60.0° | 175.7° |
| H201 | C20 | C19 | H192 | 179.6° | 55.7° |
| H202 | C20 | C21 | O33 | 158.3° | 55.0° |
| H202 | C20 | C21 | C22 | 39.0° | 65.0° |
| H202 | C20 | C21 | H21 | 81.3° | 175.0° |
| H202 | C20 | C19 | C3 | 60.7° | 55.8° |
| H202 | C20 | C19 | H191 | 179.3° | 64.3° |
| H202 | C20 | C19 | H192 | 59.7° | 175.8° |
| O33 | C21 | C22 | H21 | 120.5° | 120.0° |
| O33 | C21 | C22 | C23 | 167.1° | 65.0° |
| O33 | C21 | C22 | H221 | 47.1° | 55.0° |
| O33 | C21 | C22 | H222 | 73.9° | 175.0° |
| C21 | C22 | C23 | H221 | 120.0° | 120.0° |
| C21 | C22 | C23 | H222 | 119.1° | 120.0° |
| C21 | C22 | H221 | H222 | 119.1° | 120.0° |
| C21 | C22 | C23 | C24 | 178.5° | 175.0° |
| C22 | C21 | O33 | HO33 | 0.8° | 60.0° |
| C21 | C22 | C23 | O34 | 57.7° | 65.0° |
| C21 | C22 | C23 | H23 | 61.9° | 55.0° |
| H21 | C21 | C22 | C23 | 46.6° | 55.0° |
| H21 | C21 | C22 | H221 | 73.4° | 175.0° |
| H21 | C21 | C22 | H222 | 165.7° | 65.1° |
| H21 | C21 | O33 | HO33 | 121.0° | 180.0° |
| C23 | C22 | H221 | H222 | 119.1° | 120.0° |
| C22 | C23 | C24 | O34 | 120.6° | 120.0° |
| C22 | C23 | C24 | H23 | 119.7° | 120.0° |
| C22 | C23 | C24 | C25 | 166.6° | 175.0° |
| C22 | C23 | C24 | H241 | 73.4° | 65.1° |
| C22 | C23 | C24 | H242 | 46.3° | 55.0° |
| C22 | C23 | O34 | H23 | 119.7° | 120.0° |
| C22 | C23 | O34 | HO34 | 53.8° | 60.1° |
| H221 | C22 | C23 | C24 | 58.5° | 65.0° |
| H221 | C22 | C23 | O34 | 62.3° | 55.0° |
| H221 | C22 | C23 | H23 | 178.1° | 175.0° |
| H222 | C22 | C23 | C24 | 62.4° | 54.9° |
| H222 | C22 | C23 | O34 | 176.8° | 175.0° |
| H222 | C22 | C23 | H23 | 57.2° | 65.1° |
| C23 | C24 | C25 | H241 | 120.0° | 120.0° |
| C23 | C24 | C25 | H242 | 120.3° | 120.0° |
| C23 | C24 | H241 | H242 | 120.4° | 120.1° |
| C24 | C23 | O34 | H23 | 119.6° | 120.0° |
| C24 | C23 | O34 | HO34 | 174.4° | 59.9° |
| C23 | C24 | C25 | O27 | 68.6° | 0.0° |
| C23 | C24 | C25 | O26 | 110.7° | 180.0° |
| C25 | C24 | H241 | H242 | 120.3° | 120.0° |
| C25 | C24 | C23 | O34 | 72.8° | 65.0° |
| C25 | C24 | C23 | H23 | 46.8° | 55.0° |
| C24 | C25 | O27 | O26 | 179.3° | 179.9° |
| C24 | C25 | O26 | HO26 | 179.3° | 180.0° |
| H241 | C24 | C23 | O34 | 47.2° | 55.0° |
| H241 | C24 | C23 | H23 | 166.8° | 175.0° |
| H241 | C24 | C25 | O27 | 171.4° | 120.0° |
| H241 | C24 | C25 | O26 | 9.3° | 60.1° |
| H242 | C24 | C23 | O34 | 166.9° | 175.1° |
| H242 | C24 | C23 | H23 | 73.5° | 64.9° |
| H242 | C24 | C25 | O27 | 51.7° | 120.0° |
| H242 | C24 | C25 | O26 | 129.0° | 60.0° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | C31 | 0.0° | 0.0° |
| C28 | C29 | C30 | H30 | 179.9° | 180.0° |
| H28 | C28 | C29 | C30 | 179.6° | 180.0° |
| H28 | C28 | C29 | H29 | 0.4° | 0.0° |
| C9 | C14 | C18 | H14 | 180.0° | 179.8° |
| C9 | C14 | C18 | H18 | 179.7° | 179.6° |
| H14 | C14 | C18 | H18 | 0.3° | 0.2° |
| C3 | C19 | H191 | H192 | 120.4° | 120.0° |
| H23 | C23 | O34 | HO34 | 66.0° | 179.9° |
| O27 | C25 | O26 | HO26 | 0.0° | 0.0° |
| H121 | C12 | H122 | H123 | 120.0° | 120.0° |
| H111 | C11 | H112 | H113 | 120.0° | 120.1° |
| C16 | C2 | H21A | H22 | 117.2° | 117.9° |
| C2 | C16 | N15 | H161 | 120.0° | 121.4° |
| C2 | C16 | N15 | H162 | 119.9° | 121.3° |
| C2 | C16 | H161 | H162 | 119.9° | 117.5° |
| H21A | C2 | C16 | N15 | 157.0° | 43.6° |
| H21A | C2 | C16 | H161 | 37.0° | 77.7° |
| H21A | C2 | C16 | H162 | 83.1° | 164.9° |
| H22 | C2 | C16 | N15 | 79.8° | 161.5° |
| H22 | C2 | C16 | H161 | 160.2° | 40.1° |
| H22 | C2 | C16 | H162 | 40.0° | 77.3° |
| N15 | C16 | H161 | H162 | 119.9° | 117.5° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C32 | 0.0° | 0.0° |
| C29 | C30 | C31 | H31 | 180.0° | 180.0° |
| H29 | C29 | C30 | C31 | 180.0° | 180.0° |
| H29 | C29 | C30 | H30 | 0.1° | 0.1° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | H32 | 179.7° | 180.0° |
| H30 | C30 | C31 | C32 | 180.0° | 180.0° |
| H30 | C30 | C31 | H31 | 0.0° | 0.0° |
| H31 | C31 | C32 | H32 | 0.3° | 0.0° |
