T9H
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O4 | C6 | doub | 1.21Å | 1.25Å | |
| C6 | N2 | sing | 1.35Å | 1.34Å | |
| C6 | C7 | sing | 1.51Å | 1.54Å | |
| N2 | C5 | sing | 1.40Å | 1.37Å | |
| C5 | C4 | doub | 1.39Å | 1.38Å | Aromatic |
| C5 | C1 | sing | 1.39Å | 1.38Å | Aromatic |
| C4 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C3 | N1 | doub | 1.32Å | 1.34Å | Aromatic |
| N1 | C2 | sing | 1.32Å | 1.36Å | Aromatic |
| C2 | C1 | doub | 1.38Å | 1.39Å | Aromatic |
| C7 | C23 | sing | 1.53Å | 1.54Å | |
| C7 | N3 | sing | 1.46Å | 1.47Å | |
| C23 | C24 | sing | 1.51Å | 1.50Å | |
| C24 | C27 | sing | 1.46Å | 1.48Å | Aromatic |
| C24 | C25 | doub | 1.34Å | 1.38Å | Aromatic |
| C27 | C28 | sing | 1.40Å | 1.40Å | Aromatic |
| C27 | C26 | doub | 1.41Å | 1.46Å | Aromatic |
| C28 | C29 | doub | 1.37Å | 1.40Å | Aromatic |
| C29 | C30 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C31 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C26 | N6 | sing | 1.38Å | 1.34Å | Aromatic |
| N6 | C25 | sing | 1.37Å | 1.36Å | Aromatic |
| N3 | C8 | sing | 1.35Å | 1.33Å | |
| C8 | O3 | doub | 1.22Å | 1.23Å | |
| C8 | C9 | sing | 1.47Å | 1.51Å | |
| C9 | C22 | sing | 1.40Å | 1.47Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.40Å | Aromatic |
| C22 | F | sing | 1.35Å | 1.33Å | |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C21 | C12 | sing | 1.39Å | 1.38Å | Aromatic |
| C12 | C11 | doub | 1.39Å | 1.40Å | Aromatic |
| C12 | N4 | sing | 1.39Å | 1.40Å | |
| C11 | C10 | sing | 1.36Å | 1.40Å | Aromatic |
| N4 | C20 | sing | 1.47Å | 1.46Å | |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| C20 | C19 | sing | 1.53Å | 1.53Å | |
| C19 | N5 | sing | 1.47Å | 1.47Å | |
| N5 | C14 | sing | 1.47Å | 1.46Å | |
| N5 | S1 | sing | 1.66Å | 1.54Å | |
| C14 | C13 | sing | 1.53Å | 1.51Å | |
| S1 | O1 | doub | 1.42Å | 1.45Å | |
| S1 | O2 | doub | 1.42Å | 1.44Å | |
| S1 | C15 | sing | 1.76Å | 1.64Å | |
| C15 | S2 | sing | 1.76Å | 1.71Å | Aromatic |
| C15 | C16 | doub | 1.33Å | 1.38Å | Aromatic |
| S2 | C18 | sing | 1.76Å | 1.74Å | Aromatic |
| C18 | C17 | doub | 1.33Å | 1.40Å | Aromatic |
| C17 | C16 | sing | 1.38Å | 1.40Å | Aromatic |
| N2 | H2 | sing | 0.97Å | 1.00Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C2 | HA | sing | 1.08Å | 1.08Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N3 | HB | sing | 0.97Å | 1.00Å | |
| C25 | H25 | 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 | |
| N6 | H6 | sing | 0.97Å | 1.00Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O4 | C6 | N2 | 122.1° | 120.0° |
| O4 | C6 | C7 | 121.1° | 120.0° |
| N2 | C6 | C7 | 116.7° | 120.0° |
| C6 | N2 | C5 | 127.8° | 120.0° |
| C6 | N2 | H2 | 116.1° | 120.0° |
| C6 | C7 | C23 | 113.4° | 109.5° |
| C6 | C7 | N3 | 116.2° | 109.5° |
| C6 | C7 | H7 | 106.9° | 109.5° |
| N2 | C5 | C4 | 118.1° | 120.8° |
| N2 | C5 | C1 | 125.1° | 120.9° |
| C5 | N2 | H2 | 116.1° | 120.0° |
| C4 | C5 | C1 | 116.8° | 118.3° |
| C5 | C4 | C3 | 121.2° | 119.0° |
| C5 | C4 | H4 | 119.4° | 120.5° |
| C5 | C1 | C2 | 119.8° | 119.1° |
| C5 | C1 | H1 | 120.1° | 120.5° |
| C4 | C3 | N1 | 121.6° | 120.8° |
| C3 | C4 | H4 | 119.4° | 120.5° |
| C4 | C3 | H3 | 119.2° | 119.6° |
| C3 | N1 | C2 | 117.5° | 121.9° |
| N1 | C3 | H3 | 119.2° | 119.6° |
| N1 | C2 | C1 | 123.1° | 120.8° |
| N1 | C2 | HA | 118.4° | 119.6° |
| C2 | C1 | H1 | 120.1° | 120.4° |
| C1 | C2 | HA | 118.5° | 119.6° |
| C23 | C7 | N3 | 105.0° | 109.5° |
| C7 | C23 | C24 | 111.8° | 109.5° |
| C23 | C7 | H7 | 107.0° | 109.5° |
| C7 | C23 | H231 | 108.9° | 109.5° |
| C7 | C23 | H232 | 108.9° | 109.5° |
| C7 | N3 | C8 | 123.4° | 120.0° |
| N3 | C7 | H7 | 107.8° | 109.4° |
| C7 | N3 | HB | 118.3° | 120.0° |
| C23 | C24 | C27 | 128.1° | 126.5° |
| C23 | C24 | C25 | 126.7° | 126.5° |
| C24 | C23 | H231 | 108.9° | 109.4° |
| C24 | C23 | H232 | 108.9° | 109.5° |
| C27 | C24 | C25 | 105.2° | 107.0° |
| C24 | C27 | C28 | 133.4° | 134.0° |
| C24 | C27 | C26 | 105.8° | 106.1° |
| C24 | C25 | N6 | 110.3° | 109.9° |
| C24 | C25 | H25 | 124.8° | 125.1° |
| C28 | C27 | C26 | 120.9° | 119.9° |
| C27 | C28 | C29 | 118.2° | 119.8° |
| C27 | C28 | H28 | 120.9° | 120.1° |
| C27 | C26 | C31 | 118.7° | 119.3° |
| C27 | C26 | N6 | 106.4° | 107.1° |
| C28 | C29 | C30 | 121.7° | 120.5° |
| C29 | C28 | H28 | 120.9° | 120.1° |
| C28 | C29 | H29 | 119.2° | 119.7° |
| C29 | C30 | C31 | 120.3° | 120.7° |
| C30 | C29 | H29 | 119.1° | 119.8° |
| C29 | C30 | H30 | 119.8° | 119.6° |
| C30 | C31 | C26 | 120.1° | 119.8° |
| C31 | C30 | H30 | 119.8° | 119.6° |
| C30 | C31 | H31 | 120.0° | 120.2° |
| C31 | C26 | N6 | 134.9° | 133.6° |
| C26 | C31 | H31 | 119.9° | 120.0° |
| C26 | N6 | C25 | 112.3° | 109.9° |
| C26 | N6 | H6 | 123.9° | 125.0° |
| N6 | C25 | H25 | 124.8° | 125.1° |
| C25 | N6 | H6 | 123.9° | 125.0° |
| N3 | C8 | O3 | 119.4° | 120.0° |
| N3 | C8 | C9 | 123.9° | 120.0° |
| C8 | N3 | HB | 118.3° | 120.0° |
| O3 | C8 | C9 | 116.7° | 120.0° |
| C8 | C9 | C22 | 119.9° | 120.1° |
| C8 | C9 | C10 | 122.9° | 120.1° |
| C22 | C9 | C10 | 117.1° | 119.8° |
| C9 | C22 | F | 120.4° | 120.1° |
| C9 | C22 | C21 | 120.3° | 119.7° |
| C9 | C10 | C11 | 120.5° | 120.1° |
| C9 | C10 | H10 | 119.7° | 119.9° |
| F | C22 | C21 | 119.3° | 120.2° |
| C22 | C21 | C12 | 121.0° | 119.9° |
| C22 | C21 | H21 | 119.5° | 120.0° |
| C21 | C12 | C11 | 119.9° | 120.2° |
| C21 | C12 | N4 | 116.6° | 119.9° |
| C12 | C21 | H21 | 119.5° | 120.1° |
| C11 | C12 | N4 | 123.4° | 119.9° |
| C12 | C11 | C10 | 121.2° | 120.3° |
| C12 | C11 | H11 | 119.4° | 119.9° |
| C12 | N4 | C20 | 118.8° | 111.0° |
| C12 | N4 | C13 | 119.4° | 111.0° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C10 | C11 | H11 | 119.4° | 119.8° |
| C20 | N4 | C13 | 121.8° | 111.2° |
| N4 | C20 | C19 | 109.8° | 109.3° |
| N4 | C20 | H201 | 109.4° | 109.5° |
| N4 | C20 | H202 | 109.4° | 109.4° |
| N4 | C13 | C14 | 108.8° | 109.4° |
| N4 | C13 | H131 | 109.6° | 109.5° |
| N4 | C13 | H132 | 109.6° | 109.5° |
| C20 | C19 | N5 | 110.5° | 108.5° |
| C19 | C20 | H201 | 109.4° | 109.5° |
| C19 | C20 | H202 | 109.4° | 109.5° |
| C20 | C19 | H191 | 109.2° | 109.6° |
| C20 | C19 | H192 | 109.2° | 109.7° |
| C19 | N5 | C14 | 120.6° | 118.2° |
| C19 | N5 | S1 | 120.7° | 120.9° |
| N5 | C19 | H191 | 109.2° | 109.6° |
| N5 | C19 | H192 | 109.2° | 109.6° |
| C14 | N5 | S1 | 118.6° | 120.9° |
| N5 | C14 | C13 | 110.4° | 108.5° |
| N5 | C14 | H141 | 109.2° | 109.6° |
| N5 | C14 | H142 | 109.2° | 109.6° |
| N5 | S1 | O1 | 112.1° | 106.4° |
| N5 | S1 | O2 | 114.3° | 106.4° |
| N5 | S1 | C15 | 100.8° | 107.3° |
| C14 | C13 | H131 | 109.6° | 109.5° |
| C14 | C13 | H132 | 109.7° | 109.4° |
| C13 | C14 | H141 | 109.3° | 109.7° |
| C13 | C14 | H142 | 109.2° | 109.6° |
| O1 | S1 | O2 | 110.8° | 123.1° |
| O1 | S1 | C15 | 107.8° | 106.4° |
| O2 | S1 | C15 | 110.4° | 106.4° |
| S1 | C15 | S2 | 122.8° | 125.2° |
| S1 | C15 | C16 | 123.7° | 125.2° |
| S2 | C15 | C16 | 113.3° | 109.6° |
| C15 | S2 | C18 | 92.6° | 91.0° |
| C15 | C16 | C17 | 109.5° | 114.9° |
| C15 | C16 | H16 | 125.3° | 122.5° |
| S2 | C18 | C17 | 107.6° | 109.6° |
| S2 | C18 | H18 | 126.2° | 125.2° |
| C18 | C17 | C16 | 116.9° | 114.9° |
| C17 | C18 | H18 | 126.2° | 125.1° |
| C18 | C17 | H17 | 121.6° | 122.5° |
| C17 | C16 | H16 | 125.3° | 122.5° |
| C16 | C17 | H17 | 121.5° | 122.6° |
| H231 | C23 | H232 | 109.5° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H131 | C13 | H132 | 109.5° | 109.5° |
| H191 | C19 | H192 | 109.5° | 109.8° |
| H141 | C14 | H142 | 109.4° | 109.8° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O4 | C6 | N2 | C7 | 178.8° | 179.7° |
| O4 | C6 | N2 | C5 | 18.5° | 5.2° |
| O4 | C6 | C7 | C23 | 106.3° | 120.0° |
| O4 | C6 | C7 | N3 | 131.8° | 0.0° |
| O4 | C6 | N2 | H2 | 161.4° | 174.7° |
| O4 | C6 | C7 | H7 | 11.4° | 120.0° |
| C6 | N2 | C5 | H2 | 180.0° | 179.9° |
| C6 | N2 | C5 | C4 | 148.7° | 147.6° |
| C6 | N2 | C5 | C1 | 32.3° | 32.8° |
| N2 | C6 | C7 | C23 | 74.8° | 59.8° |
| N2 | C6 | C7 | N3 | 47.1° | 179.7° |
| N2 | C6 | C7 | H7 | 167.5° | 60.3° |
| C7 | C6 | N2 | C5 | 162.6° | 175.0° |
| C6 | C7 | C23 | N3 | 128.0° | 120.0° |
| C6 | C7 | C23 | H7 | 117.7° | 120.0° |
| C6 | C7 | N3 | H7 | 120.0° | 120.0° |
| C6 | C7 | C23 | C24 | 15.9° | 175.0° |
| C6 | C7 | N3 | C8 | 85.6° | 85.0° |
| C7 | C6 | N2 | H2 | 17.4° | 5.1° |
| C6 | C7 | C23 | H231 | 104.4° | 55.1° |
| C6 | C7 | C23 | H232 | 136.3° | 65.0° |
| C6 | C7 | N3 | HB | 94.4° | 95.0° |
| N2 | C5 | C4 | C1 | 179.0° | 179.7° |
| N2 | C5 | C4 | C3 | 179.5° | 179.9° |
| N2 | C5 | C1 | C2 | 179.5° | 179.8° |
| N2 | C5 | C4 | H4 | 0.5° | 0.1° |
| N2 | C5 | C1 | H1 | 0.5° | 0.1° |
| C5 | C4 | C3 | H4 | 180.0° | 179.9° |
| C5 | C4 | C3 | N1 | 0.0° | 0.0° |
| C4 | C5 | C1 | C2 | 0.6° | 0.6° |
| C4 | C5 | N2 | H2 | 31.3° | 32.3° |
| C4 | C5 | C1 | H1 | 179.4° | 179.7° |
| C5 | C4 | C3 | H3 | 179.9° | 179.9° |
| C1 | C5 | C4 | C3 | 0.4° | 0.3° |
| C5 | C1 | C2 | N1 | 0.4° | 0.6° |
| C5 | C1 | C2 | H1 | 180.0° | 179.7° |
| C1 | C5 | N2 | H2 | 147.7° | 147.3° |
| C1 | C5 | C4 | H4 | 179.6° | 179.8° |
| C5 | C1 | C2 | HA | 179.6° | 179.7° |
| C4 | C3 | N1 | H3 | 180.0° | 179.9° |
| C4 | C3 | N1 | C2 | 0.2° | 0.0° |
| C3 | N1 | C2 | C1 | 0.0° | 0.3° |
| N1 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | N1 | C2 | HA | 179.9° | 180.0° |
| N1 | C2 | C1 | HA | 180.0° | 179.7° |
| N1 | C2 | C1 | H1 | 179.7° | 179.7° |
| C2 | N1 | C3 | H3 | 179.8° | 179.9° |
| C23 | C7 | N3 | H7 | 113.8° | 120.0° |
| C7 | C23 | C24 | H231 | 120.4° | 120.0° |
| C7 | C23 | C24 | H232 | 120.3° | 120.0° |
| C7 | C23 | C24 | C27 | 107.4° | 84.9° |
| C7 | C23 | C24 | C25 | 70.0° | 95.3° |
| C23 | C7 | N3 | C8 | 148.2° | 155.0° |
| C7 | C23 | H231 | H232 | 119.0° | 120.0° |
| C23 | C7 | N3 | HB | 31.8° | 24.9° |
| N3 | C7 | C23 | C24 | 143.9° | 65.0° |
| C7 | N3 | C8 | HB | 180.0° | 179.9° |
| C7 | N3 | C8 | O3 | 11.6° | 0.1° |
| C7 | N3 | C8 | C9 | 165.4° | 180.0° |
| N3 | C7 | C23 | H231 | 23.5° | 175.0° |
| N3 | C7 | C23 | H232 | 95.8° | 55.0° |
| C23 | C24 | C27 | C25 | 177.8° | 179.8° |
| C23 | C24 | C27 | C28 | 1.1° | 0.1° |
| C23 | C24 | C27 | C26 | 178.1° | 180.0° |
| C23 | C24 | C25 | N6 | 177.8° | 179.8° |
| C24 | C23 | C7 | H7 | 101.8° | 54.9° |
| C24 | C23 | H231 | H232 | 118.9° | 120.0° |
| C23 | C24 | C25 | H25 | 2.2° | 0.1° |
| C24 | C27 | C28 | C26 | 179.0° | 179.9° |
| C24 | C27 | C28 | C29 | 179.7° | 179.9° |
| C24 | C27 | C26 | C31 | 178.7° | 180.0° |
| C24 | C27 | C26 | N6 | 0.4° | 0.0° |
| C27 | C24 | C25 | N6 | 0.0° | 0.4° |
| C27 | C24 | C23 | H231 | 12.9° | 35.0° |
| C27 | C24 | C23 | H232 | 132.2° | 155.1° |
| C27 | C24 | C25 | H25 | 179.9° | 179.7° |
| C24 | C27 | C28 | H28 | 0.2° | 0.1° |
| C25 | C24 | C27 | C28 | 178.9° | 179.7° |
| C25 | C24 | C27 | C26 | 0.2° | 0.2° |
| C24 | C25 | N6 | C26 | 0.3° | 0.4° |
| C24 | C25 | N6 | H25 | 180.0° | 179.9° |
| C25 | C24 | C23 | H231 | 169.7° | 144.7° |
| C25 | C24 | C23 | H232 | 50.4° | 24.7° |
| C24 | C25 | N6 | H6 | 179.7° | 179.9° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 0.5° | 0.0° |
| C28 | C27 | C26 | C31 | 2.0° | 0.0° |
| C28 | C27 | C26 | N6 | 178.8° | 180.0° |
| C27 | C28 | C29 | H29 | 179.5° | 180.0° |
| C26 | C27 | C28 | C29 | 0.7° | 0.0° |
| C27 | C26 | C31 | C30 | 2.1° | 0.0° |
| C27 | C26 | C31 | N6 | 178.9° | 180.0° |
| C27 | C26 | N6 | C25 | 0.5° | 0.3° |
| C26 | C27 | C28 | H28 | 179.3° | 180.0° |
| C27 | C26 | C31 | H31 | 177.9° | 180.0° |
| C27 | C26 | N6 | H6 | 179.5° | 180.0° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | C31 | 0.5° | 0.0° |
| C28 | C29 | C30 | H30 | 179.6° | 179.9° |
| C29 | C30 | C31 | H30 | 180.0° | 180.0° |
| C29 | C30 | C31 | C26 | 0.9° | 0.0° |
| C30 | C29 | C28 | H28 | 179.5° | 180.0° |
| C29 | C30 | C31 | H31 | 179.1° | 180.0° |
| C30 | C31 | C26 | H31 | 180.0° | 180.0° |
| C30 | C31 | C26 | N6 | 179.1° | 180.0° |
| C31 | C30 | C29 | H29 | 179.6° | 180.0° |
| C31 | C26 | N6 | C25 | 178.5° | 179.7° |
| C26 | C31 | C30 | H30 | 179.1° | 179.9° |
| C31 | C26 | N6 | H6 | 1.5° | 0.0° |
| C26 | N6 | C25 | H6 | 180.0° | 179.7° |
| C26 | N6 | C25 | H25 | 179.6° | 179.7° |
| N6 | C26 | C31 | H31 | 1.0° | 0.0° |
| N3 | C8 | O3 | C9 | 177.3° | 179.9° |
| N3 | C8 | C9 | C22 | 42.1° | 180.0° |
| N3 | C8 | C9 | C10 | 141.4° | 0.3° |
| C8 | N3 | C7 | H7 | 34.4° | 35.0° |
| O3 | C8 | C9 | C22 | 135.0° | 0.1° |
| O3 | C8 | C9 | C10 | 41.4° | 179.8° |
| O3 | C8 | N3 | HB | 168.4° | 180.0° |
| C8 | C9 | C22 | C10 | 176.6° | 179.7° |
| C8 | C9 | C22 | F | 3.3° | 0.0° |
| C8 | C9 | C22 | C21 | 177.4° | 180.0° |
| C8 | C9 | C10 | C11 | 177.5° | 179.8° |
| C9 | C8 | N3 | HB | 14.6° | 0.1° |
| C8 | C9 | C10 | H10 | 2.5° | 0.1° |
| C9 | C22 | F | C21 | 179.3° | 180.0° |
| C9 | C22 | C21 | C12 | 0.2° | 0.0° |
| C22 | C9 | C10 | C11 | 1.0° | 0.6° |
| C22 | C9 | C10 | H10 | 179.0° | 179.7° |
| C9 | C22 | C21 | H21 | 179.8° | 180.0° |
| C10 | C9 | C22 | F | 179.9° | 179.7° |
| C10 | C9 | C22 | C21 | 0.8° | 0.3° |
| C9 | C10 | C11 | C12 | 0.3° | 0.6° |
| C9 | C10 | C11 | H10 | 180.0° | 179.7° |
| C9 | C10 | C11 | H11 | 179.7° | 179.7° |
| F | C22 | C21 | C12 | 179.2° | 180.0° |
| F | C22 | C21 | H21 | 0.8° | 0.0° |
| C22 | C21 | C12 | H21 | 180.0° | 180.0° |
| C22 | C21 | C12 | C11 | 0.9° | 0.1° |
| C22 | C21 | C12 | N4 | 179.3° | 180.0° |
| C21 | C12 | C11 | N4 | 178.3° | 179.9° |
| C21 | C12 | C11 | C10 | 0.7° | 0.3° |
| C21 | C12 | N4 | C20 | 1.2° | 180.0° |
| C21 | C12 | N4 | C13 | 175.7° | 55.7° |
| C21 | C12 | C11 | H11 | 179.3° | 180.0° |
| C12 | C11 | C10 | H11 | 180.0° | 179.7° |
| C11 | C12 | N4 | C20 | 179.5° | 0.1° |
| C11 | C12 | N4 | C13 | 2.6° | 124.3° |
| C12 | C11 | C10 | H10 | 179.7° | 179.7° |
| C11 | C12 | C21 | H21 | 179.1° | 180.0° |
| N4 | C12 | C11 | C10 | 178.9° | 179.7° |
| C12 | N4 | C20 | C13 | 176.8° | 124.1° |
| C12 | N4 | C20 | C19 | 161.8° | 172.7° |
| C12 | N4 | C13 | C14 | 144.9° | 172.8° |
| N4 | C12 | C21 | H21 | 0.7° | 0.0° |
| N4 | C12 | C11 | H11 | 1.1° | 0.0° |
| C12 | N4 | C20 | H201 | 78.2° | 67.3° |
| C12 | N4 | C20 | H202 | 41.8° | 52.8° |
| C12 | N4 | C13 | H131 | 95.2° | 52.8° |
| C12 | N4 | C13 | H132 | 25.0° | 67.3° |
| N4 | C20 | C19 | H201 | 120.0° | 120.0° |
| N4 | C20 | C19 | H202 | 120.0° | 119.9° |
| N4 | C20 | C19 | N5 | 51.1° | 53.9° |
| C20 | N4 | C13 | C14 | 31.9° | 63.1° |
| N4 | C20 | H201 | H202 | 119.9° | 120.0° |
| C20 | N4 | C13 | H131 | 88.0° | 176.9° |
| C20 | N4 | C13 | H132 | 151.8° | 56.8° |
| N4 | C20 | C19 | H191 | 171.2° | 173.5° |
| N4 | C20 | C19 | H192 | 69.0° | 65.8° |
| C13 | N4 | C20 | C19 | 21.3° | 63.2° |
| N4 | C13 | C14 | N5 | 55.0° | 53.8° |
| N4 | C13 | C14 | H131 | 119.9° | 120.0° |
| N4 | C13 | C14 | H132 | 119.9° | 120.0° |
| C13 | N4 | C20 | H201 | 98.7° | 56.9° |
| C13 | N4 | C20 | H202 | 141.4° | 176.9° |
| N4 | C13 | H131 | H132 | 120.3° | 120.1° |
| N4 | C13 | C14 | H141 | 65.1° | 173.6° |
| N4 | C13 | C14 | H142 | 175.2° | 65.8° |
| C20 | C19 | N5 | H191 | 120.1° | 119.7° |
| C20 | C19 | N5 | H192 | 120.1° | 119.7° |
| C20 | C19 | N5 | C14 | 28.2° | 51.2° |
| C20 | C19 | N5 | S1 | 155.4° | 128.8° |
| C19 | C20 | H201 | H202 | 119.9° | 120.1° |
| C20 | C19 | H191 | H192 | 119.5° | 120.5° |
| C19 | N5 | C14 | S1 | 176.5° | 180.0° |
| C19 | N5 | C14 | C13 | 25.8° | 51.2° |
| C19 | N5 | S1 | O1 | 163.8° | 156.5° |
| C19 | N5 | S1 | O2 | 36.6° | 23.6° |
| C19 | N5 | S1 | C15 | 81.8° | 90.0° |
| N5 | C19 | C20 | H201 | 68.9° | 66.1° |
| N5 | C19 | C20 | H202 | 171.1° | 173.8° |
| N5 | C19 | H191 | H192 | 119.5° | 120.5° |
| C19 | N5 | C14 | H141 | 94.4° | 170.9° |
| C19 | N5 | C14 | H142 | 146.0° | 68.5° |
| N5 | C14 | C13 | H141 | 120.2° | 119.7° |
| N5 | C14 | C13 | H142 | 120.2° | 119.7° |
| C14 | N5 | S1 | O1 | 19.7° | 23.6° |
| C14 | N5 | S1 | O2 | 146.9° | 156.5° |
| C14 | N5 | S1 | C15 | 94.7° | 90.0° |
| N5 | C14 | C13 | H131 | 64.8° | 173.8° |
| N5 | C14 | C13 | H132 | 175.0° | 66.1° |
| C14 | N5 | C19 | H191 | 148.4° | 170.9° |
| C14 | N5 | C19 | H192 | 91.9° | 68.5° |
| N5 | C14 | H141 | H142 | 119.6° | 120.5° |
| S1 | N5 | C14 | C13 | 150.7° | 128.9° |
| N5 | S1 | O1 | O2 | 129.0° | 122.9° |
| N5 | S1 | O1 | C15 | 110.1° | 114.1° |
| N5 | S1 | O2 | C15 | 112.8° | 114.1° |
| N5 | S1 | C15 | S2 | 71.3° | 90.0° |
| N5 | S1 | C15 | C16 | 103.1° | 89.7° |
| S1 | N5 | C19 | H191 | 35.2° | 9.2° |
| S1 | N5 | C19 | H192 | 84.5° | 111.5° |
| S1 | N5 | C14 | H141 | 89.2° | 9.1° |
| S1 | N5 | C14 | H142 | 30.5° | 111.5° |
| C14 | C13 | H131 | H132 | 120.3° | 120.0° |
| C13 | C14 | H141 | H142 | 119.5° | 120.5° |
| O1 | S1 | O2 | C15 | 119.4° | 122.9° |
| O1 | S1 | C15 | S2 | 171.1° | 156.5° |
| O1 | S1 | C15 | C16 | 14.5° | 23.8° |
| O2 | S1 | C15 | S2 | 49.9° | 23.6° |
| O2 | S1 | C15 | C16 | 135.7° | 156.7° |
| S1 | C15 | S2 | C16 | 174.9° | 179.7° |
| S1 | C15 | S2 | C18 | 177.3° | 179.9° |
| S1 | C15 | C16 | C17 | 177.0° | 179.9° |
| S1 | C15 | C16 | H16 | 3.0° | 0.0° |
| C15 | S2 | C18 | C17 | 1.9° | 0.0° |
| S2 | C15 | C16 | C17 | 2.1° | 0.4° |
| S2 | C15 | C16 | H16 | 177.9° | 179.7° |
| C15 | S2 | C18 | H18 | 178.1° | 180.0° |
| C16 | C15 | S2 | C18 | 2.4° | 0.2° |
| C15 | C16 | C17 | C18 | 0.6° | 0.4° |
| C15 | C16 | C17 | H16 | 180.0° | 179.9° |
| C15 | C16 | C17 | H17 | 179.4° | 179.8° |
| S2 | C18 | C17 | H18 | 180.0° | 180.0° |
| S2 | C18 | C17 | C16 | 1.1° | 0.2° |
| S2 | C18 | C17 | H17 | 178.9° | 180.0° |
| C18 | C17 | C16 | H17 | 180.0° | 179.8° |
| C18 | C17 | C16 | H16 | 179.4° | 179.7° |
| C16 | C17 | C18 | H18 | 178.9° | 179.8° |
| H7 | C7 | C23 | H231 | 137.9° | 65.0° |
| H7 | C7 | C23 | H232 | 18.6° | 174.9° |
| H7 | C7 | N3 | HB | 145.7° | 145.0° |
| H4 | C4 | C3 | H3 | 0.1° | 0.0° |
| H1 | C1 | C2 | HA | 0.3° | 0.0° |
| H25 | C25 | N6 | H6 | 0.3° | 0.0° |
| H28 | C28 | C29 | H29 | 0.5° | 0.0° |
| H29 | C29 | C30 | H30 | 0.4° | 0.0° |
| H30 | C30 | C31 | H31 | 0.9° | 0.0° |
| H10 | C10 | C11 | H11 | 0.3° | 0.0° |
| H201 | C20 | C19 | H191 | 51.2° | 53.5° |
| H201 | C20 | C19 | H192 | 170.9° | 174.1° |
| H202 | C20 | C19 | H191 | 68.7° | 66.6° |
| H202 | C20 | C19 | H192 | 51.0° | 54.1° |
| H131 | C13 | C14 | H141 | 175.0° | 66.5° |
| H131 | C13 | C14 | H142 | 55.3° | 54.1° |
| H132 | C13 | C14 | H141 | 54.8° | 53.6° |
| H132 | C13 | C14 | H142 | 64.9° | 174.2° |
| H16 | C16 | C17 | H17 | 0.6° | 0.2° |
| H18 | C18 | C17 | H17 | 1.1° | 0.0° |
