HD1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O1 | C14 | doub | 1.22Å | 1.23Å | |
| C14 | N4 | sing | 1.35Å | 1.36Å | |
| C14 | C5 | sing | 1.47Å | 1.53Å | |
| N4 | C15 | sing | 1.46Å | 1.46Å | |
| C15 | C20 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.53Å | 1.53Å | |
| C19 | C18 | sing | 1.53Å | 1.54Å | |
| C21 | C22 | sing | 1.53Å | 1.53Å | |
| C22 | C23 | sing | 1.53Å | 1.53Å | |
| C22 | O2 | sing | 1.43Å | 1.42Å | |
| C22 | C24 | sing | 1.53Å | 1.53Å | |
| C23 | C18 | sing | 1.53Å | 1.53Å | |
| C18 | C17 | sing | 1.53Å | 1.53Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| C24 | C16 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.40Å | 1.38Å | Aromatic |
| C5 | C4 | doub | 1.41Å | 1.42Å | Aromatic |
| C6 | C7 | doub | 1.37Å | 1.40Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.40Å | Aromatic |
| C8 | N2 | sing | 1.38Å | 1.41Å | |
| C8 | N1 | doub | 1.32Å | 1.36Å | Aromatic |
| N2 | C12 | sing | 1.47Å | 1.49Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C12 | C11 | sing | 1.53Å | 1.54Å | |
| C11 | N3 | sing | 1.47Å | 1.49Å | |
| N3 | C13 | sing | 1.47Å | 1.49Å | |
| N3 | C10 | sing | 1.47Å | 1.48Å | |
| C10 | C9 | sing | 1.53Å | 1.54Å | |
| N1 | C4 | sing | 1.32Å | 1.35Å | Aromatic |
| C4 | S1 | sing | 1.76Å | 1.76Å | |
| S1 | C3 | sing | 1.81Å | 1.78Å | |
| C3 | C2 | sing | 1.53Å | 1.53Å | |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| O2 | H2 | sing | 0.97Å | 0.95Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.09Å | 1.10Å | |
| C12 | H122 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C1 | H11C | sing | 1.09Å | 1.10Å | |
| C1 | H12C | sing | 1.09Å | 1.10Å | |
| C1 | H13C | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O1 | C14 | N4 | 122.3° | 120.0° |
| O1 | C14 | C5 | 120.1° | 120.0° |
| N4 | C14 | C5 | 117.6° | 120.0° |
| C14 | N4 | C15 | 123.3° | 120.0° |
| C14 | N4 | H4 | 118.3° | 120.0° |
| C14 | C5 | C6 | 119.0° | 120.5° |
| C14 | C5 | C4 | 122.2° | 120.5° |
| N4 | C15 | C20 | 111.6° | 109.5° |
| N4 | C15 | C16 | 109.3° | 109.4° |
| C15 | N4 | H4 | 118.3° | 120.0° |
| N4 | C15 | H15 | 109.4° | 109.5° |
| C20 | C15 | C16 | 109.5° | 109.5° |
| C15 | C20 | C19 | 110.5° | 109.4° |
| C15 | C20 | C21 | 108.5° | 109.5° |
| C20 | C15 | H15 | 108.6° | 109.5° |
| C15 | C20 | H20 | 109.7° | 109.5° |
| C15 | C16 | C17 | 110.5° | 109.5° |
| C15 | C16 | C24 | 109.1° | 109.5° |
| C16 | C15 | H15 | 108.5° | 109.5° |
| C15 | C16 | H16 | 109.4° | 109.5° |
| C19 | C20 | C21 | 109.1° | 109.5° |
| C20 | C19 | C18 | 110.3° | 109.5° |
| C19 | C20 | H20 | 109.5° | 109.4° |
| C20 | C19 | H191 | 109.3° | 109.4° |
| C20 | C19 | H192 | 109.3° | 109.5° |
| C20 | C21 | C22 | 109.5° | 109.4° |
| C21 | C20 | H20 | 109.5° | 109.5° |
| C20 | C21 | H211 | 109.5° | 109.5° |
| C20 | C21 | H212 | 109.5° | 109.5° |
| C19 | C18 | C23 | 108.6° | 109.5° |
| C19 | C18 | C17 | 109.0° | 109.5° |
| C18 | C19 | H191 | 109.3° | 109.5° |
| C18 | C19 | H192 | 109.3° | 109.5° |
| C19 | C18 | H18 | 110.1° | 109.4° |
| C21 | C22 | C23 | 109.5° | 109.5° |
| C21 | C22 | O2 | 109.8° | 109.4° |
| C21 | C22 | C24 | 109.7° | 109.5° |
| C22 | C21 | H211 | 109.5° | 109.5° |
| C22 | C21 | H212 | 109.5° | 109.5° |
| C23 | C22 | O2 | 109.4° | 109.5° |
| C23 | C22 | C24 | 109.2° | 109.5° |
| C22 | C23 | C18 | 110.3° | 109.5° |
| C22 | C23 | H231 | 109.3° | 109.5° |
| C22 | C23 | H232 | 109.3° | 109.5° |
| O2 | C22 | C24 | 109.2° | 109.4° |
| C22 | O2 | H2 | 109.5° | 114.0° |
| C22 | C24 | C16 | 109.5° | 109.5° |
| C22 | C24 | H241 | 109.5° | 109.5° |
| C22 | C24 | H242 | 109.5° | 109.5° |
| C23 | C18 | C17 | 108.6° | 109.5° |
| C23 | C18 | H18 | 110.2° | 109.5° |
| C18 | C23 | H231 | 109.3° | 109.4° |
| C18 | C23 | H232 | 109.3° | 109.4° |
| C18 | C17 | C16 | 110.2° | 109.5° |
| C17 | C18 | H18 | 110.2° | 109.5° |
| C18 | C17 | H171 | 109.3° | 109.5° |
| C18 | C17 | H172 | 109.3° | 109.5° |
| C17 | C16 | C24 | 108.9° | 109.5° |
| C17 | C16 | H16 | 109.4° | 109.5° |
| C16 | C17 | H171 | 109.3° | 109.5° |
| C16 | C17 | H172 | 109.3° | 109.5° |
| C24 | C16 | H16 | 109.5° | 109.5° |
| C16 | C24 | H241 | 109.5° | 109.5° |
| C16 | C24 | H242 | 109.5° | 109.4° |
| C6 | C5 | C4 | 118.4° | 118.9° |
| C5 | C6 | C7 | 119.6° | 118.6° |
| C5 | C6 | H6 | 120.2° | 120.7° |
| C5 | C4 | N1 | 121.0° | 120.3° |
| C5 | C4 | S1 | 120.0° | 119.8° |
| C6 | C7 | C8 | 120.2° | 119.6° |
| C7 | C6 | H6 | 120.2° | 120.7° |
| C6 | C7 | H7 | 119.9° | 120.2° |
| C7 | C8 | N2 | 120.5° | 119.4° |
| C7 | C8 | N1 | 119.6° | 121.1° |
| C8 | C7 | H7 | 119.9° | 120.2° |
| N2 | C8 | N1 | 119.9° | 119.5° |
| C8 | N2 | C12 | 109.2° | 111.0° |
| C8 | N2 | C9 | 109.8° | 111.0° |
| C8 | N1 | C4 | 121.1° | 121.5° |
| C12 | N2 | C9 | 108.8° | 110.9° |
| N2 | C12 | C11 | 110.1° | 109.4° |
| N2 | C12 | H121 | 109.3° | 109.5° |
| N2 | C12 | H122 | 109.3° | 109.5° |
| N2 | C9 | C10 | 113.0° | 109.4° |
| N2 | C9 | H91C | 108.6° | 109.5° |
| N2 | C9 | H92C | 108.6° | 109.5° |
| C12 | C11 | N3 | 110.4° | 109.3° |
| C11 | C12 | H121 | 109.3° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.4° |
| C12 | C11 | H111 | 109.2° | 109.5° |
| C12 | C11 | H112 | 109.3° | 109.5° |
| C11 | N3 | C13 | 109.5° | 111.0° |
| C11 | N3 | C10 | 109.9° | 110.9° |
| N3 | C11 | H111 | 109.2° | 109.4° |
| N3 | C11 | H112 | 109.2° | 109.5° |
| C13 | N3 | C10 | 109.3° | 111.0° |
| N3 | C13 | H131 | 109.5° | 109.5° |
| N3 | C13 | H132 | 109.5° | 109.5° |
| N3 | C13 | H133 | 109.5° | 109.5° |
| N3 | C10 | C9 | 110.1° | 109.4° |
| N3 | C10 | H101 | 109.3° | 109.5° |
| N3 | C10 | H102 | 109.3° | 109.5° |
| C10 | C9 | H91C | 108.6° | 109.5° |
| C10 | C9 | H92C | 108.5° | 109.4° |
| C9 | C10 | H101 | 109.3° | 109.5° |
| C9 | C10 | H102 | 109.3° | 109.4° |
| N1 | C4 | S1 | 119.0° | 119.8° |
| C4 | S1 | C3 | 101.8° | 100.0° |
| S1 | C3 | C2 | 112.0° | 109.4° |
| S1 | C3 | H31C | 108.8° | 109.4° |
| S1 | C3 | H32C | 108.9° | 109.5° |
| C3 | C2 | C1 | 110.6° | 109.4° |
| C2 | C3 | H31C | 108.8° | 109.5° |
| C2 | C3 | H32C | 108.8° | 109.5° |
| C3 | C2 | H21C | 109.2° | 109.5° |
| C3 | C2 | H22C | 109.2° | 109.5° |
| C1 | C2 | H21C | 109.2° | 109.5° |
| C1 | C2 | H22C | 109.2° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.5° |
| C2 | C1 | H12C | 109.4° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.4° |
| H191 | C19 | H192 | 109.5° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H231 | C23 | H232 | 109.5° | 109.4° |
| H241 | C24 | H242 | 109.5° | 109.5° |
| H171 | C17 | H172 | 109.5° | 109.4° |
| H121 | C12 | H122 | 109.5° | 109.5° |
| H91C | C9 | H92C | 109.5° | 109.5° |
| H111 | C11 | H112 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.5° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H101 | C10 | H102 | 109.5° | 109.5° |
| H31C | C3 | H32C | 109.5° | 109.5° |
| H21C | C2 | H22C | 109.5° | 109.5° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.5° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O1 | C14 | N4 | C5 | 179.5° | 179.8° |
| O1 | C14 | N4 | C15 | 0.0° | 0.1° |
| O1 | C14 | C5 | C6 | 74.7° | 180.0° |
| O1 | C14 | C5 | C4 | 112.7° | 0.3° |
| O1 | C14 | N4 | H4 | 180.0° | 180.0° |
| C14 | N4 | C15 | H4 | 180.0° | 179.9° |
| C14 | N4 | C15 | C20 | 94.2° | 155.0° |
| C14 | N4 | C15 | C16 | 144.6° | 85.0° |
| N4 | C14 | C5 | C6 | 104.8° | 0.3° |
| N4 | C14 | C5 | C4 | 67.8° | 179.5° |
| C14 | N4 | C15 | H15 | 26.0° | 35.0° |
| C5 | C14 | N4 | C15 | 179.6° | 179.7° |
| C14 | C5 | C6 | C4 | 172.9° | 179.7° |
| C14 | C5 | C6 | C7 | 175.5° | 180.0° |
| C14 | C5 | C4 | N1 | 174.7° | 179.7° |
| C14 | C5 | C4 | S1 | 5.7° | 0.0° |
| C5 | C14 | N4 | H4 | 0.5° | 0.2° |
| C14 | C5 | C6 | H6 | 4.5° | 0.0° |
| N4 | C15 | C20 | C16 | 121.1° | 120.0° |
| N4 | C15 | C20 | H15 | 120.6° | 120.0° |
| N4 | C15 | C16 | H15 | 119.2° | 120.0° |
| N4 | C15 | C20 | C19 | 63.0° | 59.9° |
| N4 | C15 | C20 | C21 | 177.4° | 180.0° |
| N4 | C15 | C16 | C17 | 64.2° | 60.0° |
| N4 | C15 | C16 | C24 | 176.0° | 180.0° |
| N4 | C15 | C20 | H20 | 57.9° | 60.0° |
| N4 | C15 | C16 | H16 | 56.2° | 60.0° |
| C20 | C15 | C16 | H15 | 118.4° | 120.0° |
| C15 | C20 | C19 | C21 | 119.2° | 120.1° |
| C15 | C20 | C19 | H20 | 120.9° | 120.0° |
| C15 | C20 | C21 | H20 | 119.7° | 120.0° |
| C15 | C20 | C19 | C18 | 59.1° | 60.1° |
| C15 | C20 | C21 | C22 | 60.6° | 60.0° |
| C20 | C15 | C16 | C17 | 58.2° | 60.0° |
| C20 | C15 | C16 | C24 | 61.5° | 60.0° |
| C20 | C15 | N4 | H4 | 85.8° | 24.9° |
| C20 | C15 | C16 | H16 | 178.7° | 180.0° |
| C15 | C20 | C19 | H191 | 179.2° | 180.0° |
| C15 | C20 | C19 | H192 | 61.0° | 60.0° |
| C15 | C20 | C21 | H211 | 59.4° | 60.0° |
| C15 | C20 | C21 | H212 | 179.4° | 180.0° |
| C16 | C15 | C20 | C19 | 58.1° | 60.0° |
| C16 | C15 | C20 | C21 | 61.4° | 60.0° |
| C15 | C16 | C24 | C22 | 60.0° | 60.0° |
| C15 | C16 | C17 | C18 | 59.2° | 60.0° |
| C15 | C16 | C17 | C24 | 119.9° | 120.0° |
| C15 | C16 | C17 | H16 | 120.5° | 120.0° |
| C15 | C16 | C24 | H16 | 119.7° | 120.0° |
| C16 | C15 | N4 | H4 | 35.4° | 95.1° |
| C16 | C15 | C20 | H20 | 179.0° | 180.0° |
| C15 | C16 | C24 | H241 | 60.0° | 60.0° |
| C15 | C16 | C24 | H242 | 180.0° | 180.0° |
| C15 | C16 | C17 | H171 | 179.3° | 180.0° |
| C15 | C16 | C17 | H172 | 60.9° | 60.1° |
| C19 | C20 | C21 | H20 | 119.9° | 119.9° |
| C20 | C19 | C18 | H191 | 120.1° | 120.0° |
| C20 | C19 | C18 | H192 | 120.1° | 120.0° |
| C19 | C20 | C21 | C22 | 59.9° | 60.0° |
| C20 | C19 | C18 | C23 | 59.5° | 60.0° |
| C20 | C19 | C18 | C17 | 58.7° | 60.0° |
| C19 | C20 | C15 | H15 | 176.4° | 180.0° |
| C20 | C19 | H191 | H192 | 119.6° | 120.0° |
| C19 | C20 | C21 | H211 | 179.9° | 180.0° |
| C19 | C20 | C21 | H212 | 60.1° | 60.0° |
| C20 | C19 | C18 | H18 | 179.8° | 180.0° |
| C21 | C20 | C19 | C18 | 60.1° | 60.0° |
| C20 | C21 | C22 | H211 | 120.0° | 120.0° |
| C20 | C21 | C22 | H212 | 120.0° | 120.0° |
| C20 | C21 | C22 | C23 | 60.0° | 60.0° |
| C20 | C21 | C22 | O2 | 179.8° | 180.0° |
| C20 | C21 | C22 | C24 | 59.8° | 60.0° |
| C21 | C20 | C15 | H15 | 56.8° | 60.0° |
| C21 | C20 | C19 | H191 | 60.0° | 60.0° |
| C21 | C20 | C19 | H192 | 179.8° | 180.0° |
| C20 | C21 | H211 | H212 | 120.0° | 120.0° |
| C19 | C18 | C23 | C22 | 59.4° | 60.0° |
| C19 | C18 | C23 | C17 | 118.4° | 120.0° |
| C19 | C18 | C23 | H18 | 120.7° | 120.0° |
| C19 | C18 | C17 | H18 | 121.0° | 120.0° |
| C19 | C18 | C17 | C16 | 58.7° | 60.0° |
| C18 | C19 | C20 | H20 | 180.0° | 180.0° |
| C18 | C19 | H191 | H192 | 119.6° | 120.0° |
| C19 | C18 | C23 | H231 | 179.5° | 179.9° |
| C19 | C18 | C23 | H232 | 60.7° | 60.0° |
| C19 | C18 | C17 | H171 | 178.8° | 180.0° |
| C19 | C18 | C17 | H172 | 61.4° | 60.0° |
| C21 | C22 | C23 | O2 | 120.4° | 120.0° |
| C21 | C22 | C23 | C24 | 120.1° | 120.0° |
| C21 | C22 | O2 | C24 | 120.3° | 120.0° |
| C21 | C22 | C23 | C18 | 60.2° | 60.0° |
| C21 | C22 | C24 | C16 | 59.5° | 60.0° |
| C22 | C21 | C20 | H20 | 179.7° | 180.0° |
| C22 | C21 | H211 | H212 | 120.0° | 120.0° |
| C21 | C22 | C23 | H231 | 179.6° | 180.0° |
| C21 | C22 | C23 | H232 | 59.9° | 60.0° |
| C21 | C22 | O2 | H2 | 180.0° | 180.0° |
| C21 | C22 | C24 | H241 | 60.5° | 60.0° |
| C21 | C22 | C24 | H242 | 179.5° | 180.0° |
| C23 | C22 | O2 | C24 | 119.5° | 120.0° |
| C22 | C23 | C18 | H231 | 120.1° | 120.0° |
| C22 | C23 | C18 | H232 | 120.1° | 120.0° |
| C22 | C23 | C18 | C17 | 59.1° | 60.0° |
| C23 | C22 | C24 | C16 | 60.5° | 60.0° |
| C23 | C22 | C21 | H211 | 180.0° | 180.0° |
| C23 | C22 | C21 | H212 | 60.0° | 60.0° |
| C22 | C23 | C18 | H18 | 179.9° | 180.0° |
| C22 | C23 | H231 | H232 | 119.6° | 120.1° |
| C23 | C22 | O2 | H2 | 59.8° | 60.0° |
| C23 | C22 | C24 | H241 | 179.5° | 180.0° |
| C23 | C22 | C24 | H242 | 59.5° | 59.9° |
| O2 | C22 | C23 | C18 | 179.4° | 180.0° |
| O2 | C22 | C24 | C16 | 179.9° | 180.0° |
| O2 | C22 | C21 | H211 | 59.8° | 60.0° |
| O2 | C22 | C21 | H212 | 60.2° | 60.0° |
| O2 | C22 | C23 | H231 | 59.2° | 60.0° |
| O2 | C22 | C23 | H232 | 60.5° | 60.0° |
| O2 | C22 | C24 | H241 | 59.9° | 60.0° |
| O2 | C22 | C24 | H242 | 60.1° | 60.1° |
| C24 | C22 | C23 | C18 | 59.9° | 60.0° |
| C22 | C24 | C16 | C17 | 60.7° | 60.0° |
| C22 | C24 | C16 | H241 | 120.0° | 120.0° |
| C22 | C24 | C16 | H242 | 120.0° | 120.0° |
| C22 | C24 | C16 | H16 | 179.7° | 180.0° |
| C24 | C22 | C21 | H211 | 60.2° | 60.0° |
| C24 | C22 | C21 | H212 | 179.8° | 180.0° |
| C24 | C22 | C23 | H231 | 60.3° | 60.0° |
| C24 | C22 | C23 | H232 | 180.0° | 180.0° |
| C24 | C22 | O2 | H2 | 59.7° | 60.0° |
| C22 | C24 | H241 | H242 | 120.0° | 120.1° |
| C23 | C18 | C17 | H18 | 120.9° | 120.0° |
| C23 | C18 | C17 | C16 | 59.4° | 60.0° |
| C23 | C18 | C19 | H191 | 60.6° | 60.0° |
| C23 | C18 | C19 | H192 | 179.6° | 180.0° |
| C18 | C23 | H231 | H232 | 119.6° | 119.9° |
| C23 | C18 | C17 | H171 | 60.7° | 60.0° |
| C23 | C18 | C17 | H172 | 179.6° | 180.0° |
| C18 | C17 | C16 | H171 | 120.1° | 120.0° |
| C18 | C17 | C16 | H172 | 120.1° | 120.0° |
| C18 | C17 | C16 | C24 | 60.7° | 60.0° |
| C18 | C17 | C16 | H16 | 179.7° | 180.0° |
| C17 | C18 | C19 | H191 | 178.8° | 180.0° |
| C17 | C18 | C19 | H192 | 61.4° | 60.0° |
| C17 | C18 | C23 | H231 | 61.1° | 60.1° |
| C17 | C18 | C23 | H232 | 179.2° | 180.0° |
| C18 | C17 | H171 | H172 | 119.7° | 120.0° |
| C17 | C16 | C24 | H16 | 119.6° | 120.0° |
| C17 | C16 | C15 | H15 | 176.6° | 180.0° |
| C16 | C17 | C18 | H18 | 179.7° | 180.0° |
| C17 | C16 | C24 | H241 | 179.3° | 180.0° |
| C17 | C16 | C24 | H242 | 59.3° | 60.0° |
| C16 | C17 | H171 | H172 | 119.7° | 120.0° |
| C24 | C16 | C15 | H15 | 56.9° | 60.0° |
| C16 | C24 | H241 | H242 | 120.0° | 119.9° |
| C24 | C16 | C17 | H171 | 59.4° | 60.0° |
| C24 | C16 | C17 | H172 | 179.2° | 180.0° |
| C5 | C6 | C7 | H6 | 180.0° | 179.9° |
| C5 | C6 | C7 | C8 | 1.2° | 0.1° |
| C6 | C5 | C4 | N1 | 2.1° | 0.5° |
| C6 | C5 | C4 | S1 | 178.4° | 179.7° |
| C5 | C6 | C7 | H7 | 178.8° | 179.9° |
| C4 | C5 | C6 | C7 | 2.6° | 0.2° |
| C5 | C4 | N1 | C8 | 0.1° | 0.5° |
| C5 | C4 | N1 | S1 | 179.6° | 179.7° |
| C5 | C4 | S1 | C3 | 136.0° | 180.0° |
| C4 | C5 | C6 | H6 | 177.4° | 179.7° |
| C6 | C7 | C8 | H7 | 180.0° | 179.8° |
| C6 | C7 | C8 | N2 | 179.2° | 180.0° |
| C6 | C7 | C8 | N1 | 0.8° | 0.1° |
| C7 | C8 | N2 | N1 | 178.4° | 179.9° |
| C7 | C8 | N2 | C12 | 117.1° | 179.9° |
| C7 | C8 | N2 | C9 | 2.1° | 56.1° |
| C7 | C8 | N1 | C4 | 1.4° | 0.2° |
| C8 | C7 | C6 | H6 | 178.8° | 180.0° |
| C8 | N2 | C12 | C9 | 119.8° | 123.9° |
| C8 | N2 | C12 | C11 | 177.8° | 176.8° |
| C8 | N2 | C9 | C10 | 176.2° | 176.8° |
| N2 | C8 | N1 | C4 | 179.8° | 179.7° |
| N2 | C8 | C7 | H7 | 0.8° | 0.2° |
| C8 | N2 | C12 | H121 | 57.8° | 63.2° |
| C8 | N2 | C12 | H122 | 62.1° | 56.9° |
| C8 | N2 | C9 | H91C | 63.3° | 56.8° |
| C8 | N2 | C9 | H92C | 55.6° | 63.3° |
| N1 | C8 | N2 | C12 | 61.3° | 0.1° |
| N1 | C8 | N2 | C9 | 179.5° | 123.8° |
| C8 | N1 | C4 | S1 | 179.6° | 179.7° |
| N1 | C8 | C7 | H7 | 179.2° | 180.0° |
| N2 | C12 | C11 | H121 | 120.1° | 120.0° |
| N2 | C12 | C11 | H122 | 120.1° | 119.9° |
| N2 | C12 | C11 | N3 | 60.3° | 58.5° |
| C12 | N2 | C9 | C10 | 56.8° | 59.3° |
| N2 | C12 | H121 | H122 | 119.7° | 120.1° |
| C12 | N2 | C9 | H91C | 177.3° | 179.3° |
| C12 | N2 | C9 | H92C | 63.8° | 60.6° |
| N2 | C12 | C11 | H111 | 179.6° | 178.3° |
| N2 | C12 | C11 | H112 | 59.8° | 61.6° |
| C9 | N2 | C12 | C11 | 58.0° | 59.3° |
| N2 | C9 | C10 | N3 | 56.1° | 58.4° |
| N2 | C9 | C10 | H91C | 120.5° | 120.0° |
| N2 | C9 | C10 | H92C | 120.5° | 119.9° |
| C9 | N2 | C12 | H121 | 62.1° | 60.7° |
| C9 | N2 | C12 | H122 | 178.1° | 179.2° |
| N2 | C9 | H91C | H92C | 118.4° | 120.1° |
| N2 | C9 | C10 | H101 | 176.3° | 178.4° |
| N2 | C9 | C10 | H102 | 64.0° | 61.6° |
| C12 | C11 | N3 | H111 | 120.1° | 119.9° |
| C12 | C11 | N3 | H112 | 120.2° | 120.0° |
| C12 | C11 | N3 | C13 | 178.9° | 176.8° |
| C12 | C11 | N3 | C10 | 58.8° | 59.4° |
| C11 | C12 | H121 | H122 | 119.7° | 120.0° |
| C12 | C11 | H111 | H112 | 119.6° | 120.1° |
| C11 | N3 | C13 | C10 | 120.5° | 123.8° |
| C11 | N3 | C10 | C9 | 55.7° | 59.3° |
| N3 | C11 | C12 | H121 | 59.8° | 61.6° |
| N3 | C11 | C12 | H122 | 179.6° | 178.4° |
| N3 | C11 | H111 | H112 | 119.6° | 120.1° |
| C11 | N3 | C13 | H131 | 180.0° | 60.0° |
| C11 | N3 | C13 | H132 | 60.0° | 179.9° |
| C11 | N3 | C13 | H133 | 60.0° | 60.0° |
| C11 | N3 | C10 | H101 | 175.8° | 179.3° |
| C11 | N3 | C10 | H102 | 64.4° | 60.6° |
| C13 | N3 | C10 | C9 | 175.9° | 176.8° |
| C13 | N3 | C11 | H111 | 61.0° | 56.9° |
| C13 | N3 | C11 | H112 | 58.7° | 63.2° |
| N3 | C13 | H131 | H132 | 120.0° | 120.0° |
| N3 | C13 | H131 | H133 | 120.0° | 120.1° |
| N3 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | N3 | C10 | H101 | 64.0° | 56.8° |
| C13 | N3 | C10 | H102 | 55.8° | 63.2° |
| N3 | C10 | C9 | H101 | 120.1° | 120.0° |
| N3 | C10 | C9 | H102 | 120.1° | 120.0° |
| N3 | C10 | C9 | H91C | 176.6° | 178.4° |
| N3 | C10 | C9 | H92C | 64.4° | 61.5° |
| C10 | N3 | C11 | H111 | 178.9° | 179.3° |
| C10 | N3 | C11 | H112 | 61.3° | 60.6° |
| C10 | N3 | C13 | H131 | 59.5° | 63.8° |
| C10 | N3 | C13 | H132 | 179.5° | 56.2° |
| C10 | N3 | C13 | H133 | 60.5° | 176.2° |
| N3 | C10 | H101 | H102 | 119.7° | 120.1° |
| C10 | C9 | H91C | H92C | 118.4° | 120.0° |
| C9 | C10 | H101 | H102 | 119.7° | 120.0° |
| N1 | C4 | S1 | C3 | 44.4° | 0.3° |
| C4 | S1 | C3 | C2 | 86.6° | 180.0° |
| C4 | S1 | C3 | H31C | 33.8° | 60.0° |
| C4 | S1 | C3 | H32C | 153.0° | 60.0° |
| S1 | C3 | C2 | H31C | 120.4° | 120.0° |
| S1 | C3 | C2 | H32C | 120.4° | 120.0° |
| S1 | C3 | C2 | C1 | 166.0° | 180.0° |
| S1 | C3 | H31C | H32C | 118.9° | 120.0° |
| S1 | C3 | C2 | H21C | 45.8° | 60.0° |
| S1 | C3 | C2 | H22C | 73.8° | 60.0° |
| C3 | C2 | C1 | H21C | 120.2° | 120.0° |
| C3 | C2 | C1 | H22C | 120.2° | 120.0° |
| C2 | C3 | H31C | H32C | 118.8° | 120.0° |
| C3 | C2 | H21C | H22C | 119.5° | 120.0° |
| C3 | C2 | C1 | H11C | 180.0° | 60.0° |
| C3 | C2 | C1 | H12C | 60.0° | 60.0° |
| C3 | C2 | C1 | H13C | 60.0° | 180.0° |
| C1 | C2 | C3 | H31C | 73.6° | 60.0° |
| C1 | C2 | C3 | H32C | 45.6° | 60.0° |
| C1 | C2 | H21C | H22C | 119.4° | 120.0° |
| C2 | C1 | H11C | H12C | 120.0° | 120.0° |
| C2 | C1 | H11C | H13C | 120.0° | 120.0° |
| C2 | C1 | H12C | H13C | 120.0° | 120.0° |
| H4 | N4 | C15 | H15 | 154.0° | 145.0° |
| H15 | C15 | C20 | H20 | 62.8° | 60.0° |
| H15 | C15 | C16 | H16 | 62.9° | 60.0° |
| H20 | C20 | C19 | H191 | 59.8° | 60.0° |
| H20 | C20 | C19 | H192 | 59.9° | 60.0° |
| H20 | C20 | C21 | H211 | 60.2° | 60.1° |
| H20 | C20 | C21 | H212 | 59.7° | 59.9° |
| H16 | C16 | C24 | H241 | 59.7° | 60.0° |
| H16 | C16 | C24 | H242 | 60.3° | 60.0° |
| H16 | C16 | C17 | H171 | 60.3° | 60.0° |
| H16 | C16 | C17 | H172 | 59.5° | 60.0° |
| H191 | C19 | C18 | H18 | 60.1° | 60.0° |
| H192 | C19 | C18 | H18 | 59.6° | 60.0° |
| H18 | C18 | C23 | H231 | 59.8° | 60.0° |
| H18 | C18 | C23 | H232 | 59.9° | 60.0° |
| H18 | C18 | C17 | H171 | 60.2° | 60.0° |
| H18 | C18 | C17 | H172 | 59.6° | 60.0° |
| H6 | C6 | C7 | H7 | 1.3° | 0.1° |
| H121 | C12 | C11 | H111 | 60.4° | 58.3° |
| H121 | C12 | C11 | H112 | 179.9° | 178.4° |
| H122 | C12 | C11 | H111 | 59.5° | 61.7° |
| H122 | C12 | C11 | H112 | 60.3° | 58.4° |
| H91C | C9 | C10 | H101 | 63.2° | 61.6° |
| H91C | C9 | C10 | H102 | 56.5° | 58.4° |
| H92C | C9 | C10 | H101 | 55.7° | 58.5° |
| H92C | C9 | C10 | H102 | 175.5° | 178.5° |
| H131 | C13 | H132 | H133 | 120.0° | 120.0° |
| H31C | C3 | C2 | H21C | 166.2° | 180.0° |
| H31C | C3 | C2 | H22C | 46.5° | 59.9° |
| H32C | C3 | C2 | H21C | 74.6° | 59.9° |
| H32C | C3 | C2 | H22C | 165.7° | 180.0° |
| H21C | C2 | C1 | H11C | 59.8° | NaN° |
| H21C | C2 | C1 | H12C | 179.8° | 60.0° |
| H21C | C2 | C1 | H13C | 60.2° | 60.0° |
| H22C | C2 | C1 | H11C | 59.8° | 60.0° |
| H22C | C2 | C1 | H12C | 60.2° | 180.0° |
| H22C | C2 | C1 | H13C | 179.8° | 60.0° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
