ZY3
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O3 | C13 | doub | 1.22Å | 1.24Å | |
| C13 | C5 | sing | 1.48Å | 1.49Å | |
| C13 | N3 | sing | 1.35Å | 1.33Å | |
| C5 | C6 | sing | 1.39Å | 1.37Å | Aromatic |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C6 | C7 | doub | 1.39Å | 1.38Å | Aromatic |
| C7 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C7 | N2 | sing | 1.39Å | 1.43Å | |
| C12 | C11 | sing | 1.51Å | 1.53Å | |
| C12 | C3 | doub | 1.40Å | 1.38Å | Aromatic |
| C11 | C10 | sing | 1.53Å | 1.56Å | |
| C10 | C9 | sing | 1.55Å | 1.55Å | |
| C9 | S | sing | 1.82Å | 1.69Å | |
| S | O1 | doub | 1.42Å | 1.43Å | |
| S | O2 | doub | 1.42Å | 1.46Å | |
| S | N2 | sing | 1.66Å | 1.56Å | |
| N2 | C8 | sing | 1.47Å | 1.45Å | |
| C4 | C3 | sing | 1.38Å | 1.42Å | Aromatic |
| C3 | N1 | sing | 1.40Å | 1.35Å | |
| N1 | C2 | sing | 1.46Å | 1.46Å | |
| C2 | C1 | sing | 1.53Å | 1.46Å | |
| N3 | C14 | sing | 1.46Å | 1.44Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | C22 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.51Å | 1.51Å | |
| C16 | C21 | sing | 1.38Å | 1.41Å | Aromatic |
| C16 | C17 | doub | 1.38Å | 1.40Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.40Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C18 | C17 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | O4 | sing | 1.43Å | 1.44Å | |
| C22 | C23 | sing | 1.53Å | 1.54Å | |
| C23 | N4 | sing | 1.47Å | 1.48Å | |
| N4 | C24 | sing | 1.47Å | 1.48Å | |
| C24 | C25 | sing | 1.51Å | 1.53Å | |
| C25 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C29 | doub | 1.39Å | 1.39Å | Aromatic |
| C29 | O5 | sing | 1.36Å | 1.37Å | |
| C29 | C28 | sing | 1.39Å | 1.38Å | Aromatic |
| O5 | C30 | sing | 1.43Å | 1.40Å | |
| C28 | C27 | doub | 1.38Å | 1.38Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| N3 | H3 | sing | 0.97Å | 1.00Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| C9 | H91C | sing | 1.09Å | 1.10Å | |
| C9 | H92C | sing | 1.09Å | 1.10Å | |
| C8 | H81C | sing | 1.09Å | 1.10Å | |
| C8 | H82C | sing | 1.09Å | 1.10Å | |
| C8 | H83C | sing | 1.09Å | 1.10Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| 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 | |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| O4 | HA | sing | 0.97Å | 0.95Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N4 | HB | sing | 1.01Å | 1.00Å | |
| C24 | H241 | sing | 1.09Å | 1.10Å | |
| C24 | H242 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C30 | H303 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O3 | C13 | C5 | 118.5° | 120.0° |
| O3 | C13 | N3 | 123.1° | 120.0° |
| C5 | C13 | N3 | 118.2° | 120.0° |
| C13 | C5 | C6 | 121.5° | 120.4° |
| C13 | C5 | C4 | 120.5° | 120.5° |
| C13 | N3 | C14 | 123.0° | 120.0° |
| C13 | N3 | H3 | 118.5° | 120.0° |
| C6 | C5 | C4 | 118.0° | 119.1° |
| C5 | C6 | C7 | 122.8° | 120.3° |
| C5 | C6 | H6 | 118.6° | 119.9° |
| C5 | C4 | C3 | 119.4° | 120.1° |
| C5 | C4 | H4 | 120.3° | 119.9° |
| C6 | C7 | C12 | 119.9° | 121.1° |
| C6 | C7 | N2 | 119.9° | 119.4° |
| C7 | C6 | H6 | 118.6° | 119.8° |
| C12 | C7 | N2 | 120.2° | 119.5° |
| C7 | C12 | C11 | 124.5° | 125.5° |
| C7 | C12 | C3 | 118.0° | 118.4° |
| C7 | N2 | S | 120.5° | 119.7° |
| C7 | N2 | C8 | 121.0° | 120.2° |
| C11 | C12 | C3 | 117.5° | 116.2° |
| C12 | C11 | C10 | 112.5° | 112.4° |
| C12 | C11 | H111 | 108.4° | 108.9° |
| C12 | C11 | H112 | 107.8° | 108.9° |
| C12 | C3 | C4 | 121.8° | 121.0° |
| C12 | C3 | N1 | 118.8° | 119.5° |
| C11 | C10 | C9 | 109.8° | 109.2° |
| C10 | C11 | H111 | 108.5° | 108.9° |
| C10 | C11 | H112 | 107.7° | 108.9° |
| C11 | C10 | H101 | 109.4° | 109.6° |
| C11 | C10 | H102 | 109.3° | 109.5° |
| C10 | C9 | S | 111.6° | 106.3° |
| C9 | C10 | H101 | 109.4° | 109.5° |
| C9 | C10 | H102 | 109.3° | 109.5° |
| C10 | C9 | H91C | 108.8° | 110.1° |
| C10 | C9 | H92C | 108.3° | 110.1° |
| C9 | S | O1 | 108.0° | 111.0° |
| C9 | S | O2 | 108.6° | 111.0° |
| C9 | S | N2 | 101.9° | 101.7° |
| S | C9 | H91C | 108.8° | 110.1° |
| S | C9 | H92C | 108.3° | 110.1° |
| O1 | S | O2 | 115.9° | 121.4° |
| O1 | S | N2 | 110.8° | 104.7° |
| O2 | S | N2 | 110.7° | 104.8° |
| S | N2 | C8 | 118.4° | 120.2° |
| N2 | C8 | H81C | 109.5° | 109.5° |
| N2 | C8 | H82C | 109.5° | 109.5° |
| N2 | C8 | H83C | 109.5° | 109.4° |
| C4 | C3 | N1 | 119.4° | 119.5° |
| C3 | C4 | H4 | 120.3° | 119.9° |
| C3 | N1 | C2 | 116.7° | 120.0° |
| C3 | N1 | H1 | 107.1° | 119.9° |
| N1 | C2 | C1 | 112.8° | 109.5° |
| C2 | N1 | H1 | 107.1° | 120.1° |
| N1 | C2 | H21C | 108.4° | 109.5° |
| N1 | C2 | H22C | 107.6° | 109.5° |
| C1 | C2 | H21C | 108.4° | 109.4° |
| C1 | C2 | H22C | 107.7° | 109.5° |
| C2 | C1 | H11C | 109.5° | 109.4° |
| C2 | C1 | H12C | 109.5° | 109.5° |
| C2 | C1 | H13C | 109.5° | 109.5° |
| N3 | C14 | C15 | 107.3° | 109.4° |
| N3 | C14 | C22 | 109.5° | 109.5° |
| C14 | N3 | H3 | 118.5° | 120.0° |
| N3 | C14 | H14 | 112.7° | 109.5° |
| C15 | C14 | C22 | 114.2° | 109.5° |
| C14 | C15 | C16 | 114.6° | 109.5° |
| C15 | C14 | H14 | 107.8° | 109.4° |
| C14 | C15 | H151 | 107.8° | 109.4° |
| C14 | C15 | H152 | 106.6° | 109.4° |
| C14 | C22 | O4 | 112.7° | 109.5° |
| C14 | C22 | C23 | 111.4° | 109.4° |
| C22 | C14 | H14 | 105.6° | 109.5° |
| C14 | C22 | H22 | 105.1° | 109.4° |
| C15 | C16 | C21 | 120.2° | 120.0° |
| C15 | C16 | C17 | 119.8° | 120.0° |
| C16 | C15 | H151 | 107.8° | 109.5° |
| C16 | C15 | H152 | 106.6° | 109.5° |
| C21 | C16 | C17 | 120.0° | 120.0° |
| C16 | C21 | C20 | 120.9° | 120.0° |
| C16 | C21 | H21 | 119.6° | 120.0° |
| C16 | C17 | C18 | 119.2° | 120.0° |
| C16 | C17 | H17 | 120.4° | 120.0° |
| C21 | C20 | C19 | 118.9° | 120.0° |
| C20 | C21 | H21 | 119.5° | 120.0° |
| C21 | C20 | H20 | 120.6° | 120.0° |
| C20 | C19 | C18 | 120.1° | 120.0° |
| C19 | C20 | H20 | 120.6° | 120.0° |
| C20 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.9° | 120.0° |
| C18 | C19 | H19 | 119.9° | 120.0° |
| C19 | C18 | H18 | 119.5° | 120.0° |
| C18 | C17 | H17 | 120.4° | 120.0° |
| C17 | C18 | H18 | 119.6° | 120.0° |
| O4 | C22 | C23 | 106.8° | 109.5° |
| O4 | C22 | H22 | 109.8° | 109.5° |
| C22 | O4 | HA | 109.5° | 114.0° |
| C22 | C23 | N4 | 108.0° | 109.4° |
| C23 | C22 | H22 | 111.1° | 109.5° |
| C22 | C23 | H231 | 110.0° | 109.5° |
| C22 | C23 | H232 | 110.2° | 109.5° |
| C23 | N4 | C24 | 124.2° | 111.0° |
| N4 | C23 | H231 | 110.0° | 109.4° |
| N4 | C23 | H232 | 110.3° | 109.4° |
| C23 | N4 | HB | 104.8° | 111.1° |
| N4 | C24 | C25 | 112.3° | 109.5° |
| C24 | N4 | HB | 104.8° | 111.0° |
| N4 | C24 | H241 | 108.5° | 109.5° |
| N4 | C24 | H242 | 107.9° | 109.5° |
| C24 | C25 | C31 | 120.6° | 120.0° |
| C24 | C25 | C26 | 119.9° | 120.0° |
| C25 | C24 | H241 | 108.5° | 109.5° |
| C25 | C24 | H242 | 107.9° | 109.5° |
| C31 | C25 | C26 | 119.5° | 120.0° |
| C25 | C31 | C29 | 119.6° | 120.0° |
| C25 | C31 | H31 | 120.2° | 120.0° |
| C25 | C26 | C27 | 119.9° | 120.1° |
| C25 | C26 | H26 | 120.0° | 119.9° |
| C31 | C29 | O5 | 119.4° | 120.1° |
| C31 | C29 | C28 | 120.9° | 119.9° |
| C29 | C31 | H31 | 120.2° | 120.0° |
| O5 | C29 | C28 | 119.7° | 120.0° |
| C29 | O5 | C30 | 117.7° | 117.0° |
| C29 | C28 | C27 | 119.9° | 119.9° |
| C29 | C28 | H28 | 120.0° | 120.0° |
| O5 | C30 | H301 | 109.5° | 109.5° |
| O5 | C30 | H302 | 109.4° | 109.4° |
| O5 | C30 | H303 | 109.5° | 109.5° |
| C28 | C27 | C26 | 120.1° | 120.1° |
| C27 | C28 | H28 | 120.1° | 120.0° |
| C28 | C27 | H27 | 120.0° | 120.0° |
| C27 | C26 | H26 | 120.1° | 119.9° |
| C26 | C27 | H27 | 119.9° | 120.0° |
| H111 | C11 | H112 | 111.9° | 108.8° |
| H101 | C10 | H102 | 109.7° | 109.6° |
| H91C | C9 | H92C | 111.2° | 110.1° |
| H81C | C8 | H82C | 109.4° | 109.5° |
| H81C | C8 | H83C | 109.5° | 109.4° |
| H82C | C8 | H83C | 109.5° | 109.5° |
| H21C | C2 | H22C | 112.1° | 109.4° |
| H11C | C1 | H12C | 109.5° | 109.5° |
| H11C | C1 | H13C | 109.4° | 109.5° |
| H12C | C1 | H13C | 109.5° | 109.5° |
| H151 | C15 | H152 | 113.6° | 109.5° |
| H231 | C23 | H232 | 108.4° | 109.5° |
| H241 | C24 | H242 | 111.7° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.5° |
| H301 | C30 | H303 | 109.5° | 109.5° |
| H302 | C30 | H303 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O3 | C13 | C5 | N3 | 174.4° | 179.6° |
| O3 | C13 | C5 | C6 | 42.8° | 0.1° |
| O3 | C13 | C5 | C4 | 137.1° | 179.7° |
| O3 | C13 | N3 | C14 | 5.3° | 0.1° |
| O3 | C13 | N3 | H3 | 174.7° | 180.0° |
| C13 | C5 | C6 | C4 | 179.9° | 179.8° |
| C13 | C5 | C6 | C7 | 178.6° | 179.9° |
| C13 | C5 | C4 | C3 | 178.4° | 179.8° |
| C5 | C13 | N3 | C14 | 168.8° | 179.7° |
| C5 | C13 | N3 | H3 | 11.2° | 0.4° |
| C13 | C5 | C6 | H6 | 1.4° | 0.1° |
| C13 | C5 | C4 | H4 | 1.6° | 0.5° |
| N3 | C13 | C5 | C6 | 142.8° | 179.7° |
| N3 | C13 | C5 | C4 | 37.3° | 0.1° |
| C13 | N3 | C14 | H3 | 180.0° | 179.9° |
| C13 | N3 | C14 | C15 | 134.1° | 84.9° |
| C13 | N3 | C14 | C22 | 101.6° | 155.1° |
| C13 | N3 | C14 | H14 | 15.6° | 35.0° |
| C5 | C6 | C7 | H6 | 180.0° | 180.0° |
| C5 | C6 | C7 | C12 | 0.6° | 1.1° |
| C5 | C6 | C7 | N2 | 179.6° | 176.9° |
| C6 | C5 | C4 | C3 | 1.5° | 0.0° |
| C6 | C5 | C4 | H4 | 178.5° | 179.7° |
| C4 | C5 | C6 | C7 | 1.3° | 0.3° |
| C5 | C4 | C3 | C12 | 0.1° | 0.5° |
| C5 | C4 | C3 | H4 | 180.0° | 179.7° |
| C5 | C4 | C3 | N1 | 178.7° | 179.8° |
| C4 | C5 | C6 | H6 | 178.7° | 179.8° |
| C6 | C7 | C12 | N2 | 179.7° | 178.1° |
| C6 | C7 | C12 | C11 | 178.5° | 177.7° |
| C6 | C7 | C12 | C3 | 2.2° | 1.7° |
| C6 | C7 | N2 | S | 131.2° | 131.0° |
| C6 | C7 | N2 | C8 | 51.3° | 49.0° |
| C7 | C12 | C11 | C3 | 179.3° | 179.4° |
| C7 | C12 | C11 | C10 | 32.6° | 31.4° |
| C12 | C7 | N2 | S | 49.1° | 47.2° |
| C12 | C7 | N2 | C8 | 128.4° | 132.9° |
| C7 | C12 | C3 | C4 | 2.0° | 1.3° |
| C7 | C12 | C3 | N1 | 179.4° | 178.9° |
| C12 | C7 | C6 | H6 | 179.4° | 178.9° |
| C7 | C12 | C11 | H111 | 87.4° | 152.1° |
| C7 | C12 | C11 | H112 | 151.2° | 89.4° |
| N2 | C7 | C12 | C11 | 1.2° | 4.2° |
| N2 | C7 | C12 | C3 | 178.0° | 176.4° |
| C7 | N2 | S | C9 | 93.3° | 92.6° |
| C7 | N2 | S | O1 | 21.4° | 151.8° |
| C7 | N2 | S | O2 | 151.4° | 23.0° |
| C7 | N2 | S | C8 | 177.6° | 180.0° |
| N2 | C7 | C6 | H6 | 0.3° | 3.0° |
| C7 | N2 | C8 | H81C | 9.7° | 90.0° |
| C7 | N2 | C8 | H82C | 110.3° | 150.0° |
| C7 | N2 | C8 | H83C | 129.7° | 29.9° |
| C12 | C11 | C10 | H111 | 120.0° | 120.7° |
| C12 | C11 | C10 | H112 | 118.7° | 120.7° |
| C12 | C11 | C10 | C9 | 90.7° | 97.7° |
| C11 | C12 | C3 | C4 | 178.7° | 178.1° |
| C11 | C12 | C3 | N1 | 0.0° | 1.6° |
| C12 | C11 | H111 | H112 | 118.8° | 118.6° |
| C12 | C11 | C10 | H101 | 149.3° | 22.2° |
| C12 | C11 | C10 | H102 | 29.2° | 142.4° |
| C3 | C12 | C11 | C10 | 148.1° | 148.0° |
| C12 | C3 | C4 | N1 | 178.6° | 179.7° |
| C12 | C3 | N1 | C2 | 168.1° | 180.0° |
| C12 | C3 | C4 | H4 | 179.9° | 179.7° |
| C3 | C12 | C11 | H111 | 91.9° | 27.3° |
| C3 | C12 | C11 | H112 | 29.5° | 91.2° |
| C12 | C3 | N1 | H1 | 71.9° | 0.0° |
| C11 | C10 | C9 | H101 | 120.0° | 119.9° |
| C11 | C10 | C9 | H102 | 119.9° | 119.9° |
| C11 | C10 | C9 | S | 52.3° | 56.6° |
| C10 | C11 | H111 | H112 | 118.7° | 118.6° |
| C11 | C10 | H101 | H102 | 119.9° | 120.2° |
| C11 | C10 | C9 | H91C | 67.7° | 175.8° |
| C11 | C10 | C9 | H92C | 171.4° | 62.6° |
| C10 | C9 | S | H91C | 120.0° | 119.2° |
| C10 | C9 | S | H92C | 119.1° | 119.2° |
| C10 | C9 | S | O1 | 82.8° | 141.9° |
| C10 | C9 | S | O2 | 150.8° | 80.0° |
| C10 | C9 | S | N2 | 33.9° | 31.0° |
| C9 | C10 | C11 | H111 | 29.3° | 141.6° |
| C9 | C10 | C11 | H112 | 150.7° | 23.0° |
| C9 | C10 | H101 | H102 | 119.8° | 120.1° |
| C10 | C9 | H91C | H92C | 119.1° | 121.6° |
| C9 | S | O1 | O2 | 122.0° | 133.0° |
| C9 | S | O1 | N2 | 110.8° | 109.0° |
| C9 | S | O2 | N2 | 111.1° | 109.0° |
| C9 | S | N2 | C8 | 84.3° | 87.5° |
| S | C9 | C10 | H101 | 172.4° | 63.3° |
| S | C9 | C10 | H102 | 67.5° | 176.6° |
| S | C9 | H91C | H92C | 119.1° | 121.6° |
| O1 | S | O2 | N2 | 127.2° | 118.0° |
| O1 | S | N2 | C8 | 161.0° | 28.2° |
| O1 | S | C9 | H91C | 37.3° | 22.8° |
| O1 | S | C9 | H92C | 158.2° | 98.8° |
| O2 | S | N2 | C8 | 31.0° | 156.9° |
| O2 | S | C9 | H91C | 89.2° | 160.8° |
| O2 | S | C9 | H92C | 31.7° | 39.2° |
| N2 | S | C9 | H91C | 154.0° | 88.2° |
| N2 | S | C9 | H92C | 85.1° | 150.2° |
| S | N2 | C8 | H81C | 167.9° | 90.0° |
| S | N2 | C8 | H82C | 72.1° | 30.0° |
| S | N2 | C8 | H83C | 47.9° | 150.0° |
| N2 | C8 | H81C | H82C | 120.0° | 120.0° |
| N2 | C8 | H81C | H83C | 120.0° | 119.9° |
| N2 | C8 | H82C | H83C | 120.0° | 120.0° |
| C4 | C3 | N1 | C2 | 13.2° | 0.3° |
| C4 | C3 | N1 | H1 | 106.7° | 179.7° |
| C3 | N1 | C2 | H1 | 120.0° | 180.0° |
| C3 | N1 | C2 | C1 | 168.4° | 180.0° |
| N1 | C3 | C4 | H4 | 1.2° | 0.0° |
| C3 | N1 | C2 | H21C | 48.5° | 60.0° |
| C3 | N1 | C2 | H22C | 73.0° | 60.0° |
| N1 | C2 | C1 | H21C | 120.0° | 120.0° |
| N1 | C2 | C1 | H22C | 118.6° | 120.1° |
| N1 | C2 | H21C | H22C | 118.6° | 120.1° |
| N1 | C2 | C1 | H11C | 146.5° | 60.0° |
| N1 | C2 | C1 | H12C | 26.5° | 60.0° |
| N1 | C2 | C1 | H13C | 93.5° | 180.0° |
| C1 | C2 | N1 | H1 | 71.6° | 0.0° |
| C1 | C2 | H21C | H22C | 118.7° | 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° |
| N3 | C14 | C15 | C22 | 121.5° | 120.0° |
| N3 | C14 | C15 | H14 | 121.6° | 120.0° |
| N3 | C14 | C22 | H14 | 121.5° | 120.0° |
| N3 | C14 | C15 | C16 | 42.0° | 65.0° |
| N3 | C14 | C22 | O4 | 170.7° | 65.0° |
| N3 | C14 | C22 | C23 | 69.2° | 175.0° |
| N3 | C14 | C15 | H151 | 78.0° | 55.0° |
| N3 | C14 | C15 | H152 | 159.7° | 175.0° |
| N3 | C14 | C22 | H22 | 51.2° | 55.0° |
| C15 | C14 | C22 | H14 | 118.2° | 120.0° |
| C14 | C15 | C16 | H151 | 120.0° | 120.0° |
| C14 | C15 | C16 | H152 | 117.7° | 120.0° |
| C14 | C15 | C16 | C21 | 127.3° | 90.0° |
| C14 | C15 | C16 | C17 | 55.0° | 90.2° |
| C15 | C14 | C22 | O4 | 50.5° | 55.0° |
| C15 | C14 | C22 | C23 | 170.5° | 65.0° |
| C15 | C14 | N3 | H3 | 45.9° | 95.0° |
| C14 | C15 | H151 | H152 | 117.9° | 119.9° |
| C15 | C14 | C22 | H22 | 69.0° | 175.0° |
| C22 | C14 | C15 | C16 | 163.5° | 175.0° |
| C14 | C22 | O4 | C23 | 122.6° | 120.0° |
| C14 | C22 | O4 | H22 | 116.8° | 120.0° |
| C14 | C22 | C23 | H22 | 116.8° | 119.9° |
| C14 | C22 | C23 | N4 | 175.2° | 175.0° |
| C22 | C14 | N3 | H3 | 78.4° | 25.0° |
| C22 | C14 | C15 | H151 | 43.5° | 65.0° |
| C22 | C14 | C15 | H152 | 78.9° | 55.0° |
| C14 | C22 | O4 | HA | 148.8° | 60.0° |
| C14 | C22 | C23 | H231 | 64.8° | 55.0° |
| C14 | C22 | C23 | H232 | 54.6° | 65.0° |
| C15 | C16 | C21 | C17 | 177.6° | 179.8° |
| C15 | C16 | C21 | C20 | 178.6° | 180.0° |
| C15 | C16 | C17 | C18 | 178.0° | 179.8° |
| C16 | C15 | C14 | H14 | 79.6° | 55.0° |
| C16 | C15 | H151 | H152 | 117.9° | 120.0° |
| C15 | C16 | C21 | H21 | 1.4° | 0.0° |
| C15 | C16 | C17 | H17 | 2.0° | 0.1° |
| C16 | C21 | C20 | H21 | 180.0° | 180.0° |
| C16 | C21 | C20 | C19 | 0.0° | 0.1° |
| C21 | C16 | C17 | C18 | 0.3° | 0.4° |
| C21 | C16 | C15 | H151 | 7.3° | 30.0° |
| C21 | C16 | C15 | H152 | 115.0° | 150.0° |
| C21 | C16 | C17 | H17 | 179.7° | 179.7° |
| C16 | C21 | C20 | H20 | 180.0° | 180.0° |
| C17 | C16 | C21 | C20 | 0.9° | 0.2° |
| C16 | C17 | C18 | C19 | 1.2° | 0.4° |
| C16 | C17 | C18 | H17 | 180.0° | 179.8° |
| C17 | C16 | C15 | H151 | 175.0° | 149.8° |
| C17 | C16 | C15 | H152 | 62.7° | 29.8° |
| C17 | C16 | C21 | H21 | 179.1° | 179.8° |
| C16 | C17 | C18 | H18 | 178.9° | 179.8° |
| C21 | C20 | C19 | H20 | 180.0° | 179.9° |
| C21 | C20 | C19 | C18 | 1.5° | 0.1° |
| C21 | C20 | C19 | H19 | 178.5° | 180.0° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 2.1° | 0.1° |
| C19 | C20 | C21 | H21 | 180.0° | 179.9° |
| C20 | C19 | C18 | H18 | 177.9° | 179.9° |
| C19 | C18 | C17 | H18 | 180.0° | 179.8° |
| C19 | C18 | C17 | H17 | 178.8° | 179.8° |
| C18 | C19 | C20 | H20 | 178.5° | 180.0° |
| C17 | C18 | C19 | H19 | 177.9° | 179.8° |
| O4 | C22 | C23 | H22 | 119.7° | 120.1° |
| O4 | C22 | C23 | N4 | 51.7° | 65.0° |
| O4 | C22 | C14 | H14 | 67.7° | 175.0° |
| O4 | C22 | C23 | H231 | 171.7° | 175.0° |
| O4 | C22 | C23 | H232 | 68.8° | 55.0° |
| C22 | C23 | N4 | H231 | 120.0° | 120.0° |
| C22 | C23 | N4 | H232 | 120.5° | 120.0° |
| C22 | C23 | N4 | C24 | 155.0° | 180.0° |
| C23 | C22 | C14 | H14 | 52.3° | 55.0° |
| C23 | C22 | O4 | HA | 26.2° | 60.0° |
| C22 | C23 | H231 | H232 | 120.6° | 120.1° |
| C22 | C23 | N4 | HB | 35.0° | 56.0° |
| C23 | N4 | C24 | HB | 120.0° | 124.0° |
| C23 | N4 | C24 | C25 | 48.0° | 180.0° |
| N4 | C23 | C22 | H22 | 68.0° | 55.1° |
| N4 | C23 | H231 | H232 | 120.6° | 119.9° |
| C23 | N4 | C24 | H241 | 168.0° | 60.0° |
| C23 | N4 | C24 | H242 | 70.7° | 60.0° |
| N4 | C24 | C25 | H241 | 120.0° | 120.0° |
| N4 | C24 | C25 | H242 | 118.8° | 120.0° |
| N4 | C24 | C25 | C31 | 69.4° | 90.0° |
| N4 | C24 | C25 | C26 | 108.5° | 90.2° |
| C24 | N4 | C23 | H231 | 85.0° | 60.0° |
| C24 | N4 | C23 | H232 | 34.4° | 60.0° |
| N4 | C24 | H241 | H242 | 118.8° | 120.0° |
| C24 | C25 | C31 | C26 | 177.9° | 179.7° |
| C24 | C25 | C31 | C29 | 178.1° | 180.0° |
| C24 | C25 | C26 | C27 | 179.9° | 179.7° |
| C25 | C24 | N4 | HB | 72.0° | 56.0° |
| C25 | C24 | H241 | H242 | 118.8° | 120.0° |
| C24 | C25 | C31 | H31 | 1.9° | 0.1° |
| C24 | C25 | C26 | H26 | 0.1° | 0.0° |
| C25 | C31 | C29 | H31 | 180.0° | 179.9° |
| C25 | C31 | C29 | O5 | 179.8° | 180.0° |
| C25 | C31 | C29 | C28 | 1.4° | 0.0° |
| C31 | C25 | C26 | C27 | 2.2° | 0.6° |
| C31 | C25 | C24 | H241 | 50.6° | 30.0° |
| C31 | C25 | C24 | H242 | 171.8° | 150.0° |
| C31 | C25 | C26 | H26 | 177.8° | 179.7° |
| C26 | C25 | C31 | C29 | 0.2° | 0.3° |
| C25 | C26 | C27 | C28 | 2.7° | 0.6° |
| C25 | C26 | C27 | H26 | 180.0° | 179.7° |
| C26 | C25 | C24 | H241 | 131.5° | 149.7° |
| C26 | C25 | C24 | H242 | 10.3° | 29.7° |
| C26 | C25 | C31 | H31 | 179.8° | 179.8° |
| C25 | C26 | C27 | H27 | 177.3° | 179.8° |
| C31 | C29 | O5 | C28 | 178.8° | 180.0° |
| C31 | C29 | O5 | C30 | 7.4° | 180.0° |
| C31 | C29 | C28 | C27 | 0.9° | 0.0° |
| C31 | C29 | C28 | H28 | 179.1° | 180.0° |
| O5 | C29 | C28 | C27 | 179.7° | 180.0° |
| O5 | C29 | C31 | H31 | 0.2° | 0.1° |
| O5 | C29 | C28 | H28 | 0.3° | 0.1° |
| C29 | O5 | C30 | H301 | 19.1° | 60.0° |
| C29 | O5 | C30 | H302 | 139.1° | 60.0° |
| C29 | O5 | C30 | H303 | 100.9° | 180.0° |
| C28 | C29 | O5 | C30 | 171.4° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.9° |
| C29 | C28 | C27 | C26 | 1.2° | 0.3° |
| C28 | C29 | C31 | H31 | 178.6° | 179.9° |
| C29 | C28 | C27 | H27 | 178.8° | 180.0° |
| O5 | C30 | H301 | H302 | 120.0° | 120.0° |
| O5 | C30 | H301 | H303 | 120.0° | 120.0° |
| O5 | C30 | H302 | H303 | 120.0° | 119.9° |
| C28 | C27 | C26 | H27 | 180.0° | 179.7° |
| C28 | C27 | C26 | H26 | 177.3° | 179.7° |
| C26 | C27 | C28 | H28 | 178.9° | 179.8° |
| H3 | N3 | C14 | H14 | 164.4° | 145.1° |
| H111 | C11 | C10 | H101 | 90.7° | 98.5° |
| H111 | C11 | C10 | H102 | 149.1° | 21.7° |
| H112 | C11 | C10 | H101 | 30.7° | 142.9° |
| H112 | C11 | C10 | H102 | 89.5° | 96.9° |
| H101 | C10 | C9 | H91C | 52.3° | 55.9° |
| H101 | C10 | C9 | H92C | 68.5° | 177.5° |
| H102 | C10 | C9 | H91C | 172.5° | 64.3° |
| H102 | C10 | C9 | H92C | 51.6° | 57.3° |
| H81C | C8 | H82C | H83C | 120.0° | 120.0° |
| H1 | N1 | C2 | H21C | 168.4° | 120.0° |
| H1 | N1 | C2 | H22C | 47.0° | 120.0° |
| H21C | C2 | C1 | H11C | 93.5° | 180.0° |
| H21C | C2 | C1 | H12C | 146.5° | 60.0° |
| H21C | C2 | C1 | H13C | 26.5° | 60.0° |
| H22C | C2 | C1 | H11C | 28.0° | 60.1° |
| H22C | C2 | C1 | H12C | 92.0° | 179.9° |
| H22C | C2 | C1 | H13C | 147.9° | 59.9° |
| H11C | C1 | H12C | H13C | 120.0° | 120.0° |
| H14 | C14 | C15 | H151 | 160.4° | 175.0° |
| H14 | C14 | C15 | H152 | 38.1° | 65.0° |
| H14 | C14 | C22 | H22 | 172.8° | 65.0° |
| H22 | C22 | O4 | HA | 94.4° | 180.0° |
| H22 | C22 | C23 | H231 | 52.0° | 64.9° |
| H22 | C22 | C23 | H232 | 171.4° | 175.0° |
| H21 | C21 | C20 | H20 | 0.0° | 0.0° |
| H17 | C17 | C18 | H18 | 1.1° | 0.0° |
| H20 | C20 | C19 | H19 | 1.5° | 0.1° |
| H19 | C19 | C18 | H18 | 2.1° | 0.0° |
| H231 | C23 | N4 | HB | 155.0° | 176.1° |
| H232 | C23 | N4 | HB | 85.6° | 64.0° |
| HB | N4 | C24 | H241 | 48.0° | 176.0° |
| HB | N4 | C24 | H242 | 169.3° | 64.0° |
| H26 | C26 | C27 | H27 | 2.7° | 0.0° |
| H28 | C28 | C27 | H27 | 1.1° | 0.1° |
| H301 | C30 | H302 | H303 | 120.0° | 120.0° |
