5HA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.48Å | |
| C1 | C3 | sing | 1.53Å | 1.50Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12A | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.46Å | |
| C2 | N1 | sing | 1.47Å | 1.47Å | |
| C2 | H2 | sing | 1.09Å | 1.12Å | |
| C3 | H31A | sing | 1.09Å | 1.11Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| N1 | C4 | sing | 1.47Å | 1.48Å | |
| N1 | HN1 | sing | 1.01Å | 1.02Å | |
| C4 | C5 | sing | 1.53Å | 1.55Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.11Å | |
| C5 | C6 | sing | 1.53Å | 1.51Å | |
| C5 | O3 | sing | 1.43Å | 1.43Å | |
| C5 | H5 | sing | 1.09Å | 1.11Å | |
| C6 | N2 | sing | 1.46Å | 1.47Å | |
| C6 | C8 | sing | 1.53Å | 1.56Å | |
| C6 | H6 | sing | 1.09Å | 1.12Å | |
| N2 | C7 | sing | 1.35Å | 1.36Å | |
| N2 | HN2 | sing | 0.97Å | 1.02Å | |
| C7 | O2 | doub | 1.22Å | 1.23Å | |
| C7 | C9 | sing | 1.48Å | 1.46Å | |
| O3 | HO3 | sing | 0.97Å | 0.95Å | |
| C8 | C29 | sing | 1.51Å | 1.53Å | |
| C8 | H81 | sing | 1.09Å | 1.11Å | |
| C8 | H82 | sing | 1.09Å | 1.12Å | |
| C9 | C10 | sing | 1.39Å | 1.40Å | Aromatic |
| C9 | C14 | doub | 1.40Å | 1.42Å | Aromatic |
| C10 | C11 | doub | 1.39Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å | |
| C11 | C12 | sing | 1.40Å | 1.41Å | Aromatic |
| C11 | C15 | sing | 1.48Å | 1.48Å | |
| C12 | C13 | doub | 1.39Å | 1.44Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | sing | 1.39Å | 1.42Å | Aromatic |
| C13 | N3 | sing | 1.40Å | 1.41Å | |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | O4 | doub | 1.22Å | 1.22Å | |
| C15 | N4 | sing | 1.35Å | 1.36Å | |
| N3 | C16 | sing | 1.46Å | 1.48Å | |
| N3 | S1 | sing | 1.66Å | 1.64Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.12Å | |
| S1 | C23 | sing | 1.81Å | 1.80Å | |
| S1 | O5 | doub | 1.42Å | 1.44Å | |
| S1 | O6 | doub | 1.42Å | 1.42Å | |
| C23 | H231 | sing | 1.09Å | 1.11Å | |
| C23 | H232 | sing | 1.09Å | 1.11Å | |
| C23 | H233 | sing | 1.09Å | 1.11Å | |
| C24 | C25 | doub | 1.38Å | 1.42Å | Aromatic |
| C24 | C29 | sing | 1.38Å | 1.42Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | doub | 1.38Å | 1.40Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C27 | C28 | sing | 1.38Å | 1.43Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | C29 | doub | 1.38Å | 1.41Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| N4 | C17 | sing | 1.47Å | 1.46Å | |
| N4 | HN4 | sing | 0.97Å | 1.02Å | |
| C17 | C18 | sing | 1.53Å | 1.57Å | |
| C17 | C30 | sing | 1.51Å | 1.49Å | |
| C17 | H17 | sing | 1.09Å | 1.11Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.12Å | |
| C18 | H183 | sing | 1.09Å | 1.12Å | |
| C30 | C31 | sing | 1.38Å | 1.43Å | Aromatic |
| C30 | C35 | doub | 1.38Å | 1.41Å | Aromatic |
| C31 | C32 | doub | 1.38Å | 1.40Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.10Å | |
| C32 | C33 | sing | 1.38Å | 1.42Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | C35 | sing | 1.38Å | 1.40Å | Aromatic |
| C34 | H34 | sing | 1.08Å | 1.10Å | |
| C35 | H35 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 58.7° | 60.0° |
| C2 | C1 | H11 | 135.8° | 117.5° |
| C2 | C1 | H12A | 135.7° | 117.5° |
| C1 | C2 | C3 | 61.3° | 60.0° |
| C1 | C2 | N1 | 112.7° | 117.5° |
| C1 | C2 | H2 | 134.4° | 117.5° |
| C3 | C1 | H11 | 135.8° | 117.5° |
| C3 | C1 | H12A | 135.7° | 117.5° |
| C1 | C3 | C2 | 60.1° | 60.0° |
| C1 | C3 | H31A | 135.0° | 117.5° |
| C1 | C3 | H32A | 135.0° | 117.5° |
| H11 | C1 | H12A | 69.5° | 115.6° |
| C3 | C2 | N1 | 111.7° | 117.5° |
| C3 | C2 | H2 | 135.2° | 117.5° |
| C2 | C3 | H31A | 135.0° | 117.5° |
| C2 | C3 | H32A | 135.0° | 117.5° |
| N1 | C2 | H2 | 99.0° | 115.6° |
| C2 | N1 | C4 | 106.3° | 106.7° |
| C2 | N1 | HN1 | 113.4° | 106.7° |
| H31A | C3 | H32A | 70.5° | 115.6° |
| C4 | N1 | HN1 | 113.4° | 106.7° |
| N1 | C4 | C5 | 111.8° | 109.5° |
| N1 | C4 | H41 | 111.3° | 109.5° |
| N1 | C4 | H42 | 111.3° | 109.5° |
| C5 | C4 | H41 | 111.4° | 109.5° |
| C5 | C4 | H42 | 111.4° | 109.5° |
| C4 | C5 | C6 | 108.6° | 109.5° |
| C4 | C5 | O3 | 102.9° | 109.5° |
| C4 | C5 | H5 | 114.5° | 109.5° |
| H41 | C4 | H42 | 99.0° | 109.4° |
| C6 | C5 | O3 | 110.4° | 109.5° |
| C6 | C5 | H5 | 107.5° | 109.4° |
| C5 | C6 | N2 | 106.4° | 109.5° |
| C5 | C6 | C8 | 114.0° | 109.5° |
| C5 | C6 | H6 | 109.3° | 109.5° |
| O3 | C5 | H5 | 112.8° | 109.4° |
| C5 | O3 | HO3 | 102.9° | 106.8° |
| N2 | C6 | C8 | 111.6° | 109.5° |
| N2 | C6 | H6 | 111.8° | 109.5° |
| C6 | N2 | C7 | 121.9° | 120.0° |
| C6 | N2 | HN2 | 123.0° | 120.0° |
| C8 | C6 | H6 | 103.9° | 109.4° |
| C6 | C8 | C29 | 115.2° | 109.5° |
| C6 | C8 | H81 | 110.1° | 109.5° |
| C6 | C8 | H82 | 110.1° | 109.5° |
| C7 | N2 | HN2 | 115.1° | 120.0° |
| N2 | C7 | O2 | 123.2° | 120.0° |
| N2 | C7 | C9 | 115.2° | 120.0° |
| O2 | C7 | C9 | 121.6° | 120.0° |
| C7 | C9 | C10 | 121.8° | 120.0° |
| C7 | C9 | C14 | 118.4° | 120.1° |
| C29 | C8 | H81 | 110.1° | 109.5° |
| C29 | C8 | H82 | 110.1° | 109.5° |
| C8 | C29 | C24 | 122.8° | 120.0° |
| C8 | C29 | C28 | 118.0° | 120.0° |
| H81 | C8 | H82 | 100.1° | 109.5° |
| C10 | C9 | C14 | 119.8° | 119.9° |
| C9 | C10 | C11 | 121.8° | 119.8° |
| C9 | C10 | H10 | 118.9° | 120.1° |
| C9 | C14 | C13 | 120.4° | 120.1° |
| C9 | C14 | H14 | 119.7° | 119.9° |
| C11 | C10 | H10 | 119.3° | 120.0° |
| C10 | C11 | C12 | 117.9° | 119.9° |
| C10 | C11 | C15 | 120.7° | 120.1° |
| C12 | C11 | C15 | 121.5° | 120.0° |
| C11 | C12 | C13 | 122.1° | 120.1° |
| C11 | C12 | H12 | 118.1° | 120.0° |
| C11 | C15 | O4 | 123.8° | 120.0° |
| C11 | C15 | N4 | 115.1° | 120.0° |
| C13 | C12 | H12 | 119.8° | 120.0° |
| C12 | C13 | C14 | 117.9° | 120.1° |
| C12 | C13 | N3 | 124.2° | 119.9° |
| C14 | C13 | N3 | 117.6° | 119.9° |
| C13 | C14 | H14 | 119.9° | 120.0° |
| C13 | N3 | C16 | 119.7° | 120.0° |
| C13 | N3 | S1 | 123.6° | 120.0° |
| O4 | C15 | N4 | 121.1° | 120.0° |
| C15 | N4 | C17 | 127.2° | 119.9° |
| C15 | N4 | HN4 | 112.3° | 120.0° |
| C16 | N3 | S1 | 116.1° | 120.0° |
| N3 | C16 | H161 | 119.7° | 109.5° |
| N3 | C16 | H162 | 108.5° | 109.5° |
| N3 | C16 | H163 | 108.5° | 109.4° |
| N3 | S1 | C23 | 107.0° | 103.1° |
| N3 | S1 | O5 | 107.9° | 102.8° |
| N3 | S1 | O6 | 108.8° | 102.8° |
| H161 | C16 | H162 | 108.6° | 109.5° |
| H161 | C16 | H163 | 108.5° | 109.5° |
| H162 | C16 | H163 | 101.5° | 109.5° |
| C23 | S1 | O5 | 108.7° | 111.6° |
| C23 | S1 | O6 | 106.2° | 111.6° |
| S1 | C23 | H231 | 107.0° | 109.5° |
| S1 | C23 | H232 | 113.1° | 109.5° |
| S1 | C23 | H233 | 113.1° | 109.4° |
| O5 | S1 | O6 | 117.8° | 122.1° |
| H231 | C23 | H232 | 113.2° | 109.5° |
| H231 | C23 | H233 | 113.1° | 109.5° |
| H232 | C23 | H233 | 97.4° | 109.5° |
| C25 | C24 | C29 | 120.3° | 120.0° |
| C25 | C24 | H24 | 119.6° | 120.0° |
| C24 | C25 | C26 | 119.5° | 120.0° |
| C24 | C25 | H25 | 120.6° | 120.1° |
| C29 | C24 | H24 | 120.1° | 120.0° |
| C24 | C29 | C28 | 119.2° | 120.0° |
| C26 | C25 | H25 | 119.9° | 119.9° |
| C25 | C26 | C27 | 121.5° | 120.0° |
| C25 | C26 | H26 | 119.4° | 120.0° |
| C27 | C26 | H26 | 119.1° | 120.0° |
| C26 | C27 | C28 | 119.0° | 120.0° |
| C26 | C27 | H27 | 119.3° | 120.0° |
| C28 | C27 | H27 | 121.6° | 120.0° |
| C27 | C28 | C29 | 120.5° | 120.0° |
| C27 | C28 | H28 | 120.5° | 120.0° |
| C29 | C28 | H28 | 119.0° | 119.9° |
| C17 | N4 | HN4 | 120.5° | 120.1° |
| N4 | C17 | C18 | 109.1° | 109.5° |
| N4 | C17 | C30 | 111.0° | 109.4° |
| N4 | C17 | H17 | 110.2° | 109.5° |
| C18 | C17 | C30 | 113.6° | 109.4° |
| C18 | C17 | H17 | 107.4° | 109.5° |
| C17 | C18 | H181 | 109.1° | 109.5° |
| C17 | C18 | H182 | 112.4° | 109.5° |
| C17 | C18 | H183 | 112.3° | 109.5° |
| C30 | C17 | H17 | 105.4° | 109.5° |
| C17 | C30 | C31 | 122.8° | 120.0° |
| C17 | C30 | C35 | 119.2° | 120.1° |
| H181 | C18 | H182 | 112.4° | 109.5° |
| H181 | C18 | H183 | 112.4° | 109.4° |
| H182 | C18 | H183 | 98.0° | 109.5° |
| C31 | C30 | C35 | 118.1° | 120.0° |
| C30 | C31 | C32 | 120.6° | 120.0° |
| C30 | C31 | H31 | 120.5° | 119.9° |
| C30 | C35 | C34 | 121.1° | 120.0° |
| C30 | C35 | H35 | 119.6° | 120.0° |
| C32 | C31 | H31 | 118.8° | 120.0° |
| C31 | C32 | C33 | 120.5° | 120.0° |
| C31 | C32 | H32 | 118.9° | 120.0° |
| C33 | C32 | H32 | 120.5° | 120.0° |
| C32 | C33 | C34 | 118.4° | 120.0° |
| C32 | C33 | H33 | 121.5° | 120.0° |
| C34 | C33 | H33 | 120.0° | 120.0° |
| C33 | C34 | C35 | 121.1° | 120.0° |
| C33 | C34 | H34 | 119.4° | 120.0° |
| C35 | C34 | H34 | 119.5° | 120.0° |
| C34 | C35 | H35 | 119.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | H11 | 125.3° | 107.5° |
| C2 | C1 | C3 | H12A | 125.2° | 107.5° |
| C2 | C1 | H11 | H12A | 135.4° | 145.6° |
| C1 | C2 | C3 | N1 | 104.8° | 107.5° |
| C1 | C2 | C3 | H2 | 125.4° | 107.5° |
| C1 | C2 | N1 | H2 | 146.5° | 145.8° |
| C2 | C1 | C3 | H31A | 125.3° | 107.5° |
| C2 | C1 | C3 | H32A | 125.3° | 107.5° |
| C1 | C2 | N1 | C4 | 100.1° | 155.0° |
| C1 | C2 | N1 | HN1 | 134.7° | 41.3° |
| C3 | C1 | H11 | H12A | 135.4° | 145.8° |
| C1 | C3 | H31A | H32A | 134.9° | 145.6° |
| H11 | C1 | C2 | N1 | 22.1° | 145.0° |
| H11 | C1 | C2 | H2 | 108.2° | 0.0° |
| H11 | C1 | C3 | H31A | 0.0° | 145.1° |
| H11 | C1 | C3 | H32A | 109.4° | 0.1° |
| H12A | C1 | C2 | N1 | 131.6° | 0.1° |
| H12A | C1 | C2 | H2 | 1.3° | 145.0° |
| H12A | C1 | C3 | H31A | 109.4° | 0.0° |
| H12A | C1 | C3 | H32A | 0.0° | 145.0° |
| C3 | C2 | N1 | H2 | 146.7° | 145.6° |
| C2 | C3 | H31A | H32A | 134.9° | 145.8° |
| C3 | C2 | N1 | C4 | 166.9° | 136.4° |
| C3 | C2 | N1 | HN1 | 67.9° | 109.9° |
| N1 | C2 | C3 | H31A | 20.5° | 0.0° |
| N1 | C2 | C3 | H32A | 129.9° | 145.0° |
| C2 | N1 | C4 | HN1 | 125.2° | 113.8° |
| C2 | N1 | C4 | C5 | 167.6° | 180.0° |
| C2 | N1 | C4 | H41 | 42.3° | 60.0° |
| C2 | N1 | C4 | H42 | 67.1° | 59.9° |
| H2 | C2 | C3 | H31A | 109.2° | 145.0° |
| H2 | C2 | C3 | H32A | 0.2° | 0.1° |
| H2 | C2 | N1 | C4 | 46.4° | 9.3° |
| H2 | C2 | N1 | HN1 | 78.8° | 104.5° |
| N1 | C4 | C5 | H41 | 125.3° | 120.0° |
| N1 | C4 | C5 | H42 | 125.2° | 120.0° |
| N1 | C4 | H41 | H42 | 117.2° | 119.9° |
| N1 | C4 | C5 | C6 | 173.6° | 175.0° |
| N1 | C4 | C5 | O3 | 56.5° | 65.0° |
| N1 | C4 | C5 | H5 | 66.2° | 55.0° |
| HN1 | N1 | C4 | C5 | 42.4° | 66.2° |
| HN1 | N1 | C4 | H41 | 82.9° | 173.7° |
| HN1 | N1 | C4 | H42 | 167.7° | 53.8° |
| C5 | C4 | H41 | H42 | 117.3° | 120.0° |
| C4 | C5 | C6 | O3 | 112.1° | 120.0° |
| C4 | C5 | C6 | H5 | 124.4° | 120.0° |
| C4 | C5 | O3 | H5 | 123.9° | 120.0° |
| C4 | C5 | C6 | N2 | 74.0° | 60.0° |
| C4 | C5 | C6 | C8 | 162.6° | 180.0° |
| C4 | C5 | C6 | H6 | 46.9° | 60.0° |
| C4 | C5 | O3 | HO3 | 180.0° | 60.0° |
| H41 | C4 | C5 | C6 | 48.3° | 55.0° |
| H41 | C4 | C5 | O3 | 68.7° | 175.0° |
| H41 | C4 | C5 | H5 | 168.5° | 65.0° |
| H42 | C4 | C5 | C6 | 61.2° | 65.0° |
| H42 | C4 | C5 | O3 | 178.2° | 55.1° |
| H42 | C4 | C5 | H5 | 59.0° | 175.0° |
| C6 | C5 | O3 | H5 | 120.3° | 119.9° |
| C5 | C6 | N2 | C8 | 124.9° | 120.0° |
| C5 | C6 | N2 | H6 | 119.3° | 120.0° |
| C5 | C6 | C8 | H6 | 118.9° | 120.0° |
| C5 | C6 | N2 | C7 | 111.5° | 85.0° |
| C5 | C6 | N2 | HN2 | 68.5° | 95.0° |
| C6 | C5 | O3 | HO3 | 64.2° | 60.0° |
| C5 | C6 | C8 | C29 | 162.6° | 175.0° |
| C5 | C6 | C8 | H81 | 37.3° | 65.1° |
| C5 | C6 | C8 | H82 | 72.2° | 54.9° |
| O3 | C5 | C6 | N2 | 173.9° | 180.0° |
| O3 | C5 | C6 | C8 | 50.5° | 59.9° |
| O3 | C5 | C6 | H6 | 65.2° | 60.0° |
| H5 | C5 | C6 | N2 | 50.4° | 60.0° |
| H5 | C5 | C6 | C8 | 73.0° | 60.0° |
| H5 | C5 | C6 | H6 | 171.3° | 179.9° |
| H5 | C5 | O3 | HO3 | 56.2° | 180.0° |
| N2 | C6 | C8 | H6 | 120.6° | 120.0° |
| C6 | N2 | C7 | HN2 | 180.0° | 180.0° |
| C6 | N2 | C7 | O2 | 13.9° | 0.0° |
| C6 | N2 | C7 | C9 | 166.5° | 180.0° |
| N2 | C6 | C8 | C29 | 42.1° | 65.0° |
| N2 | C6 | C8 | H81 | 83.2° | 55.0° |
| N2 | C6 | C8 | H82 | 167.3° | 175.0° |
| C8 | C6 | N2 | C7 | 123.7° | 155.0° |
| C8 | C6 | N2 | HN2 | 56.4° | 25.0° |
| C6 | C8 | C29 | H81 | 125.3° | 120.0° |
| C6 | C8 | C29 | H82 | 125.3° | 120.1° |
| C6 | C8 | H81 | H82 | 115.9° | 120.0° |
| C6 | C8 | C29 | C24 | 51.7° | 90.0° |
| C6 | C8 | C29 | C28 | 131.2° | 90.3° |
| H6 | C6 | N2 | C7 | 7.8° | 35.1° |
| H6 | C6 | N2 | HN2 | 172.2° | 145.0° |
| H6 | C6 | C8 | C29 | 78.6° | 55.0° |
| H6 | C6 | C8 | H81 | 156.1° | 175.0° |
| H6 | C6 | C8 | H82 | 46.7° | 65.0° |
| N2 | C7 | O2 | C9 | 179.5° | 180.0° |
| N2 | C7 | C9 | C10 | 42.6° | 0.3° |
| N2 | C7 | C9 | C14 | 137.1° | 180.0° |
| HN2 | N2 | C7 | O2 | 166.0° | 180.0° |
| HN2 | N2 | C7 | C9 | 13.5° | 0.0° |
| O2 | C7 | C9 | C10 | 137.9° | 179.8° |
| O2 | C7 | C9 | C14 | 42.4° | 0.0° |
| C7 | C9 | C10 | C14 | 179.7° | 179.7° |
| C7 | C9 | C10 | C11 | 179.7° | 179.7° |
| C7 | C9 | C10 | H10 | 0.3° | 0.3° |
| C7 | C9 | C14 | C13 | 179.9° | 180.0° |
| C7 | C9 | C14 | H14 | 0.1° | 0.0° |
| C29 | C8 | H81 | H82 | 116.0° | 120.0° |
| C8 | C29 | C24 | C25 | 176.0° | 180.0° |
| C8 | C29 | C24 | C28 | 177.0° | 179.7° |
| C8 | C29 | C24 | H24 | 4.0° | 0.0° |
| C8 | C29 | C28 | C27 | 176.0° | 179.8° |
| C8 | C29 | C28 | H28 | 4.0° | 0.3° |
| H81 | C8 | C29 | C24 | 177.0° | 30.0° |
| H81 | C8 | C29 | C28 | 5.9° | 149.7° |
| H82 | C8 | C29 | C24 | 73.5° | 150.0° |
| H82 | C8 | C29 | C28 | 103.6° | 29.7° |
| C9 | C10 | C11 | H10 | 180.0° | 179.5° |
| C9 | C10 | C11 | C12 | 1.1° | 0.6° |
| C9 | C10 | C11 | C15 | 177.5° | 179.7° |
| C10 | C9 | C14 | C13 | 0.2° | 0.3° |
| C10 | C9 | C14 | H14 | 179.9° | 179.7° |
| C14 | C9 | C10 | C11 | 0.0° | 0.6° |
| C14 | C9 | C10 | H10 | 180.0° | 180.0° |
| C9 | C14 | C13 | C12 | 0.8° | 0.0° |
| C9 | C14 | C13 | H14 | 180.0° | 180.0° |
| C9 | C14 | C13 | N3 | 173.8° | 180.0° |
| C10 | C11 | C12 | C15 | 178.6° | 179.8° |
| C10 | C11 | C12 | C13 | 2.1° | 0.3° |
| C10 | C11 | C12 | H12 | 177.9° | 179.7° |
| C10 | C11 | C15 | O4 | 144.3° | 179.7° |
| C10 | C11 | C15 | N4 | 36.1° | 0.3° |
| H10 | C10 | C11 | C12 | 178.9° | 180.0° |
| H10 | C10 | C11 | C15 | 2.5° | 0.2° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 1.9° | 0.0° |
| C11 | C12 | C13 | N3 | 172.2° | 180.0° |
| C12 | C11 | C15 | O4 | 37.1° | 0.0° |
| C12 | C11 | C15 | N4 | 142.5° | 180.0° |
| C15 | C11 | C12 | C13 | 176.5° | 180.0° |
| C15 | C11 | C12 | H12 | 3.5° | 0.0° |
| C11 | C15 | O4 | N4 | 179.6° | 180.0° |
| C11 | C15 | N4 | C17 | 177.1° | 180.0° |
| C11 | C15 | N4 | HN4 | 2.9° | 0.0° |
| C12 | C13 | C14 | N3 | 174.5° | 180.0° |
| C12 | C13 | C14 | H14 | 179.2° | 180.0° |
| C12 | C13 | N3 | C16 | 143.4° | 155.0° |
| C12 | C13 | N3 | S1 | 26.9° | 25.1° |
| H12 | C12 | C13 | C14 | 178.1° | 180.0° |
| H12 | C12 | C13 | N3 | 7.8° | 0.0° |
| C14 | C13 | N3 | C16 | 42.4° | 25.0° |
| C14 | C13 | N3 | S1 | 147.2° | 155.0° |
| N3 | C13 | C14 | H14 | 6.3° | 0.0° |
| C13 | N3 | C16 | S1 | 171.1° | 179.9° |
| C13 | N3 | C16 | H161 | 180.0° | 0.1° |
| C13 | N3 | C16 | H162 | 54.7° | 120.0° |
| C13 | N3 | C16 | H163 | 54.7° | 120.0° |
| C13 | N3 | S1 | C23 | 85.7° | 90.0° |
| C13 | N3 | S1 | O5 | 157.5° | 153.8° |
| C13 | N3 | S1 | O6 | 28.7° | 26.1° |
| O4 | C15 | N4 | C17 | 2.5° | 0.0° |
| O4 | C15 | N4 | HN4 | 177.5° | 180.0° |
| C15 | N4 | C17 | HN4 | 180.0° | 180.0° |
| C15 | N4 | C17 | C18 | 128.6° | 85.0° |
| C15 | N4 | C17 | C30 | 105.5° | 155.1° |
| C15 | N4 | C17 | H17 | 10.9° | 35.0° |
| N3 | C16 | H161 | H162 | 125.3° | 120.1° |
| N3 | C16 | H161 | H163 | 125.2° | 119.9° |
| N3 | C16 | H162 | H163 | 114.2° | 120.0° |
| C16 | N3 | S1 | C23 | 85.0° | 90.0° |
| C16 | N3 | S1 | O5 | 31.8° | 26.1° |
| C16 | N3 | S1 | O6 | 160.7° | 153.8° |
| S1 | N3 | C16 | H161 | 9.0° | 180.0° |
| S1 | N3 | C16 | H162 | 116.3° | 59.9° |
| S1 | N3 | C16 | H163 | 134.2° | 60.0° |
| N3 | S1 | C23 | O5 | 116.3° | 109.7° |
| N3 | S1 | C23 | O6 | 116.1° | 109.7° |
| N3 | S1 | O5 | O6 | 123.6° | 114.3° |
| N3 | S1 | C23 | H231 | 180.0° | 60.0° |
| N3 | S1 | C23 | H232 | 54.7° | 180.0° |
| N3 | S1 | C23 | H233 | 54.8° | 60.0° |
| H161 | C16 | H162 | H163 | 114.2° | 120.0° |
| C23 | S1 | O5 | O6 | 120.7° | 135.8° |
| S1 | C23 | H231 | H232 | 125.3° | 120.0° |
| S1 | C23 | H231 | H233 | 125.2° | 119.9° |
| S1 | C23 | H232 | H233 | 119.0° | 119.9° |
| O5 | S1 | C23 | H231 | 63.7° | 49.7° |
| O5 | S1 | C23 | H232 | 171.0° | 70.3° |
| O5 | S1 | C23 | H233 | 61.5° | 169.7° |
| O6 | S1 | C23 | H231 | 63.9° | 169.7° |
| O6 | S1 | C23 | H232 | 61.4° | 70.3° |
| O6 | S1 | C23 | H233 | 170.9° | 49.7° |
| H231 | C23 | H232 | H233 | 119.1° | 120.1° |
| C25 | C24 | C29 | H24 | 180.0° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.5° | 0.0° |
| C24 | C25 | C26 | H26 | 179.5° | 179.9° |
| C25 | C24 | C29 | C28 | 1.1° | 0.3° |
| C29 | C24 | C25 | C26 | 0.2° | 0.0° |
| C29 | C24 | C25 | H25 | 179.8° | 180.0° |
| C24 | C29 | C28 | C27 | 1.2° | 0.6° |
| C24 | C29 | C28 | H28 | 178.8° | 180.0° |
| H24 | C24 | C25 | C26 | 179.8° | 180.0° |
| H24 | C24 | C25 | H25 | 0.2° | 0.0° |
| H24 | C24 | C29 | C28 | 178.9° | 179.7° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | C28 | 0.3° | 0.2° |
| C25 | C26 | C27 | H27 | 179.7° | 180.0° |
| H25 | C25 | C26 | C27 | 179.5° | 180.0° |
| H25 | C25 | C26 | H26 | 0.5° | 0.1° |
| C26 | C27 | C28 | H27 | 180.0° | 179.8° |
| C26 | C27 | C28 | C29 | 0.5° | 0.5° |
| C26 | C27 | C28 | H28 | 179.5° | 180.0° |
| H26 | C26 | C27 | C28 | 179.6° | 179.8° |
| H26 | C26 | C27 | H27 | 0.3° | 0.1° |
| C27 | C28 | C29 | H28 | 180.0° | 179.5° |
| H27 | C27 | C28 | C29 | 179.5° | 179.7° |
| H27 | C27 | C28 | H28 | 0.5° | 0.2° |
| N4 | C17 | C18 | C30 | 124.4° | 119.9° |
| N4 | C17 | C18 | H17 | 119.5° | 120.0° |
| N4 | C17 | C30 | H17 | 119.3° | 120.0° |
| N4 | C17 | C18 | H181 | 180.0° | 60.0° |
| N4 | C17 | C18 | H182 | 54.7° | 180.0° |
| N4 | C17 | C18 | H183 | 54.7° | 59.9° |
| N4 | C17 | C30 | C31 | 60.4° | 140.0° |
| N4 | C17 | C30 | C35 | 120.4° | 39.7° |
| HN4 | N4 | C17 | C18 | 51.4° | 95.0° |
| HN4 | N4 | C17 | C30 | 74.5° | 25.0° |
| HN4 | N4 | C17 | H17 | 169.1° | 145.0° |
| C18 | C17 | C30 | H17 | 117.4° | 120.0° |
| C17 | C18 | H181 | H182 | 125.3° | 120.0° |
| C17 | C18 | H181 | H183 | 125.3° | 120.0° |
| C17 | C18 | H182 | H183 | 118.2° | 120.0° |
| C18 | C17 | C30 | C31 | 62.9° | 100.0° |
| C18 | C17 | C30 | C35 | 116.3° | 80.2° |
| C30 | C17 | C18 | H181 | 55.7° | 179.9° |
| C30 | C17 | C18 | H182 | 69.7° | 60.1° |
| C30 | C17 | C18 | H183 | 179.0° | 60.0° |
| C17 | C30 | C31 | C35 | 179.2° | 179.7° |
| C17 | C30 | C31 | C32 | 175.1° | 180.0° |
| C17 | C30 | C31 | H31 | 5.0° | 0.1° |
| C17 | C30 | C35 | C34 | 176.7° | 179.8° |
| C17 | C30 | C35 | H35 | 3.3° | 0.2° |
| H17 | C17 | C18 | H181 | 60.5° | 60.0° |
| H17 | C17 | C18 | H182 | 174.1° | 60.0° |
| H17 | C17 | C18 | H183 | 64.8° | 180.0° |
| H17 | C17 | C30 | C31 | 179.7° | 20.0° |
| H17 | C17 | C30 | C35 | 1.1° | 159.7° |
| H181 | C18 | H182 | H183 | 118.3° | 120.0° |
| C30 | C31 | C32 | H31 | 180.0° | 180.0° |
| C30 | C31 | C32 | C33 | 2.2° | 0.0° |
| C30 | C31 | C32 | H32 | 177.8° | 179.9° |
| C31 | C30 | C35 | C34 | 2.5° | 0.5° |
| C31 | C30 | C35 | H35 | 177.5° | 179.9° |
| C35 | C30 | C31 | C32 | 4.1° | 0.3° |
| C35 | C30 | C31 | H31 | 175.9° | 179.8° |
| C30 | C35 | C34 | C33 | 1.1° | 0.5° |
| C30 | C35 | C34 | H35 | 180.0° | 179.6° |
| C30 | C35 | C34 | H34 | 178.9° | 179.8° |
| C31 | C32 | C33 | H32 | 180.0° | 179.9° |
| C31 | C32 | C33 | C34 | 1.3° | 0.0° |
| C31 | C32 | C33 | H33 | 178.7° | 179.9° |
| H31 | C31 | C32 | C33 | 177.7° | 180.0° |
| H31 | C31 | C32 | H32 | 2.2° | 0.0° |
| C32 | C33 | C34 | H33 | 179.9° | 180.0° |
| C32 | C33 | C34 | C35 | 3.0° | 0.2° |
| C32 | C33 | C34 | H34 | 177.0° | 180.0° |
| H32 | C32 | C33 | C34 | 178.6° | 180.0° |
| H32 | C32 | C33 | H33 | 1.3° | 0.0° |
| C33 | C34 | C35 | H34 | 180.0° | 179.8° |
| C33 | C34 | C35 | H35 | 179.0° | 180.0° |
| H33 | C33 | C34 | C35 | 177.1° | 179.8° |
| H33 | C33 | C34 | H34 | 2.9° | 0.0° |
| H34 | C34 | C35 | H35 | 1.1° | 0.2° |
