7S2
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C2 | sing | 1.49Å | 1.47Å | |
| N3 | C4 | sing | 1.49Å | 1.48Å | |
| C2 | C1 | sing | 1.51Å | 1.50Å | |
| C2 | C6 | sing | 1.54Å | 1.52Å | |
| C4 | C5 | sing | 1.54Å | 1.53Å | |
| O7 | C1 | doub | 1.21Å | 1.23Å | |
| C1 | N8 | sing | 1.35Å | 1.33Å | |
| C6 | C5 | sing | 1.54Å | 1.52Å | |
| N8 | C9 | sing | 1.46Å | 1.45Å | |
| C5 | O36 | sing | 1.43Å | 1.43Å | |
| C9 | C13 | sing | 1.54Å | 1.52Å | |
| C9 | C10 | sing | 1.55Å | 1.51Å | |
| C13 | N12 | sing | 1.47Å | 1.46Å | |
| C10 | C11 | sing | 1.55Å | 1.52Å | |
| N12 | C11 | sing | 1.47Å | 1.47Å | |
| N12 | C14 | sing | 1.35Å | 1.34Å | |
| O21 | C19 | doub | 1.21Å | 1.21Å | |
| C11 | C19 | sing | 1.51Å | 1.51Å | |
| C19 | N20 | sing | 1.35Å | 1.33Å | |
| O15 | C14 | doub | 1.21Å | 1.22Å | |
| C14 | C16 | sing | 1.51Å | 1.51Å | |
| N20 | C22 | sing | 1.47Å | 1.45Å | |
| C22 | C23 | sing | 1.51Å | 1.52Å | |
| C24 | C23 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.40Å | 1.39Å | Aromatic |
| C16 | C17 | sing | 1.53Å | 1.52Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C28 | C27 | doub | 1.38Å | 1.39Å | Aromatic |
| C26 | C27 | sing | 1.40Å | 1.39Å | Aromatic |
| C26 | C29 | sing | 1.43Å | 1.29Å | |
| C29 | C30 | trip | 1.17Å | 1.20Å | |
| C30 | C31 | sing | 1.38Å | 1.38Å | |
| C31 | C32 | trip | 1.17Å | 1.20Å | |
| C32 | C33 | sing | 1.47Å | 1.48Å | |
| C33 | C35 | sing | 1.53Å | 1.52Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C4 | H3 | sing | 1.09Å | 1.10Å | |
| C5 | H4 | sing | 1.09Å | 1.10Å | |
| C6 | H5 | sing | 1.09Å | 1.10Å | |
| C6 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C10 | H8 | sing | 1.09Å | 1.10Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C13 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H11 | sing | 1.09Å | 1.10Å | |
| C22 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | H14 | sing | 1.08Å | 1.08Å | |
| C25 | H15 | sing | 1.08Å | 1.08Å | |
| C35 | H16 | sing | 1.09Å | 1.10Å | |
| C35 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | H18 | sing | 1.01Å | 1.00Å | |
| N8 | H20 | sing | 0.97Å | 1.00Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C16 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| C18 | H28 | sing | 1.09Å | 1.10Å | |
| N20 | H29 | sing | 0.97Å | 1.00Å | |
| C27 | H30 | sing | 1.08Å | 1.08Å | |
| C28 | H31 | sing | 1.08Å | 1.08Å | |
| C33 | H32 | sing | 1.09Å | 1.10Å | |
| C34 | H33 | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| O36 | H35 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | N3 | C4 | 107.9° | 104.3° |
| N3 | C2 | C1 | 109.3° | 110.4° |
| N3 | C2 | C6 | 106.5° | 104.6° |
| N3 | C2 | H1 | 110.7° | 110.5° |
| C2 | N3 | H18 | 109.8° | 111.0° |
| N3 | C4 | C5 | 107.8° | 104.6° |
| N3 | C4 | H2 | 109.9° | 110.4° |
| N3 | C4 | H3 | 109.9° | 110.5° |
| C4 | N3 | H18 | 109.8° | 111.0° |
| C1 | C2 | C6 | 109.9° | 110.5° |
| C2 | C1 | O7 | 121.1° | 120.0° |
| C2 | C1 | N8 | 116.2° | 120.0° |
| C1 | C2 | H1 | 110.3° | 110.4° |
| C2 | C6 | C5 | 105.6° | 105.0° |
| C6 | C2 | H1 | 110.1° | 110.4° |
| C2 | C6 | H5 | 110.4° | 110.3° |
| C2 | C6 | H6 | 110.4° | 110.3° |
| C4 | C5 | C6 | 106.0° | 105.1° |
| C4 | C5 | O36 | 110.7° | 110.3° |
| C5 | C4 | H2 | 109.9° | 110.4° |
| C5 | C4 | H3 | 109.9° | 110.4° |
| C4 | C5 | H4 | 109.3° | 110.3° |
| O7 | C1 | N8 | 122.7° | 120.0° |
| C1 | N8 | C9 | 121.0° | 120.0° |
| C1 | N8 | H20 | 119.5° | 120.0° |
| C6 | C5 | O36 | 110.5° | 110.3° |
| C6 | C5 | H4 | 109.5° | 110.4° |
| C5 | C6 | H5 | 110.4° | 110.4° |
| C5 | C6 | H6 | 110.4° | 110.4° |
| N8 | C9 | C13 | 110.4° | 110.7° |
| N8 | C9 | C10 | 109.6° | 110.7° |
| C9 | N8 | H20 | 119.5° | 120.0° |
| N8 | C9 | H21 | 111.1° | 110.6° |
| O36 | C5 | H4 | 110.7° | 110.2° |
| C5 | O36 | H35 | 109.5° | 114.0° |
| C13 | C9 | C10 | 105.3° | 103.0° |
| C9 | C13 | N12 | 105.0° | 107.3° |
| C9 | C13 | H10 | 110.6° | 109.9° |
| C9 | C13 | H11 | 110.6° | 110.0° |
| C13 | C9 | H21 | 110.0° | 110.8° |
| C9 | C10 | C11 | 105.0° | 101.6° |
| C9 | C10 | H7 | 110.6° | 111.0° |
| C9 | C10 | H8 | 110.6° | 111.0° |
| C10 | C9 | H21 | 110.1° | 110.8° |
| C13 | N12 | C11 | 111.8° | 108.7° |
| C13 | N12 | C14 | 124.7° | 125.6° |
| N12 | C13 | H10 | 110.6° | 109.8° |
| N12 | C13 | H11 | 110.6° | 109.9° |
| C10 | C11 | N12 | 104.2° | 104.9° |
| C10 | C11 | C19 | 107.2° | 110.3° |
| C11 | C10 | H7 | 110.6° | 111.0° |
| C11 | C10 | H8 | 110.6° | 111.1° |
| C10 | C11 | H9 | 109.7° | 110.4° |
| C11 | N12 | C14 | 123.5° | 125.7° |
| N12 | C11 | C19 | 115.3° | 110.3° |
| N12 | C11 | H9 | 110.4° | 110.5° |
| N12 | C14 | O15 | 121.0° | 120.0° |
| N12 | C14 | C16 | 119.9° | 120.0° |
| O21 | C19 | C11 | 121.5° | 120.0° |
| O21 | C19 | N20 | 123.8° | 120.0° |
| C11 | C19 | N20 | 114.7° | 120.0° |
| C19 | C11 | H9 | 109.9° | 110.4° |
| C19 | N20 | C22 | 124.9° | 120.0° |
| C19 | N20 | H29 | 117.5° | 120.0° |
| O15 | C14 | C16 | 119.1° | 120.0° |
| C14 | C16 | C17 | 111.2° | 109.5° |
| C14 | C16 | C18 | 109.4° | 109.5° |
| C14 | C16 | H22 | 108.6° | 109.5° |
| N20 | C22 | C23 | 107.3° | 109.5° |
| N20 | C22 | H12 | 110.0° | 109.5° |
| N20 | C22 | H13 | 110.0° | 109.4° |
| C22 | N20 | H29 | 117.5° | 120.0° |
| C22 | C23 | C24 | 119.8° | 119.8° |
| C22 | C23 | C28 | 120.7° | 119.8° |
| C23 | C22 | H12 | 110.0° | 109.5° |
| C23 | C22 | H13 | 110.0° | 109.5° |
| C23 | C24 | C25 | 120.4° | 120.2° |
| C24 | C23 | C28 | 119.5° | 120.3° |
| C23 | C24 | H14 | 119.8° | 119.9° |
| C24 | C25 | C26 | 120.2° | 119.8° |
| C25 | C24 | H14 | 119.8° | 119.9° |
| C24 | C25 | H15 | 119.9° | 120.1° |
| C23 | C28 | C27 | 120.0° | 120.2° |
| C23 | C28 | H31 | 120.0° | 119.9° |
| C25 | C26 | C27 | 119.6° | 119.7° |
| C25 | C26 | C29 | 120.2° | 120.2° |
| C26 | C25 | H15 | 119.9° | 120.0° |
| C17 | C16 | C18 | 110.7° | 109.4° |
| C17 | C16 | H22 | 108.4° | 109.5° |
| C16 | C17 | H23 | 109.5° | 109.5° |
| C16 | C17 | H24 | 109.5° | 109.4° |
| C16 | C17 | H25 | 109.5° | 109.5° |
| C18 | C16 | H22 | 108.5° | 109.4° |
| C16 | C18 | H26 | 109.5° | 109.5° |
| C16 | C18 | H27 | 109.5° | 109.5° |
| C16 | C18 | H28 | 109.5° | 109.5° |
| C28 | C27 | C26 | 120.3° | 119.8° |
| C28 | C27 | H30 | 119.8° | 120.1° |
| C27 | C28 | H31 | 120.0° | 119.9° |
| C27 | C26 | C29 | 120.2° | 120.1° |
| C26 | C27 | H30 | 119.8° | 120.1° |
| C26 | C29 | C30 | 174.7° | 180.0° |
| C29 | C30 | C31 | 177.4° | 180.0° |
| C30 | C31 | C32 | 169.9° | 179.9° |
| C31 | C32 | C33 | 168.5° | 180.0° |
| C32 | C33 | C35 | 117.0° | 117.5° |
| C32 | C33 | C34 | 115.2° | 117.5° |
| C32 | C33 | H32 | 117.9° | 115.6° |
| C35 | C33 | C34 | 59.9° | 60.0° |
| C33 | C35 | C34 | 60.2° | 60.0° |
| C33 | C35 | H16 | 120.0° | 117.5° |
| C33 | C35 | H17 | 120.0° | 117.5° |
| C35 | C33 | H32 | 117.0° | 117.5° |
| C33 | C34 | C35 | 59.9° | 60.0° |
| C34 | C33 | H32 | 116.9° | 117.5° |
| C33 | C34 | H33 | 120.0° | 117.5° |
| C33 | C34 | H34 | 120.0° | 117.5° |
| C34 | C35 | H16 | 120.0° | 117.5° |
| C34 | C35 | H17 | 120.0° | 117.5° |
| C35 | C34 | H33 | 120.0° | 117.5° |
| C35 | C34 | H34 | 120.0° | 117.5° |
| H2 | C4 | H3 | 109.4° | 110.4° |
| H5 | C6 | H6 | 109.5° | 110.4° |
| H7 | C10 | H8 | 109.5° | 110.9° |
| H10 | C13 | H11 | 109.5° | 109.9° |
| H12 | C22 | H13 | 109.5° | 109.5° |
| H16 | C35 | H17 | 109.4° | 115.5° |
| H23 | C17 | H24 | 109.5° | 109.4° |
| H23 | C17 | H25 | 109.5° | 109.5° |
| H24 | C17 | H25 | 109.5° | 109.5° |
| H26 | C18 | H27 | 109.4° | 109.5° |
| H26 | C18 | H28 | 109.5° | 109.4° |
| H27 | C18 | H28 | 109.5° | 109.5° |
| H33 | C34 | H34 | 109.5° | 115.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | N3 | C4 | H18 | 119.7° | 119.6° |
| N3 | C2 | C1 | C6 | 116.6° | 115.2° |
| N3 | C2 | C1 | H1 | 121.9° | 122.4° |
| N3 | C2 | C6 | H1 | 120.0° | 118.8° |
| C2 | N3 | C4 | C5 | 12.9° | 39.5° |
| N3 | C2 | C1 | O7 | 8.6° | 14.9° |
| N3 | C2 | C1 | N8 | 172.5° | 164.8° |
| N3 | C2 | C6 | C5 | 24.6° | 23.8° |
| C2 | N3 | C4 | H2 | 132.7° | 158.2° |
| C2 | N3 | C4 | H3 | 106.9° | 79.3° |
| N3 | C2 | C6 | H5 | 144.0° | 95.1° |
| N3 | C2 | C6 | H6 | 94.8° | 142.7° |
| C4 | N3 | C2 | C1 | 95.3° | 158.3° |
| C4 | N3 | C2 | C6 | 23.4° | 39.5° |
| N3 | C4 | C5 | H2 | 119.8° | 118.8° |
| N3 | C4 | C5 | H3 | 119.8° | 118.8° |
| N3 | C4 | C5 | C6 | 2.6° | 23.8° |
| N3 | C4 | C5 | O36 | 122.4° | 142.7° |
| C4 | N3 | C2 | H1 | 143.0° | 79.4° |
| N3 | C4 | H2 | H3 | 120.7° | 122.5° |
| N3 | C4 | C5 | H4 | 115.3° | 95.2° |
| C1 | C2 | C6 | H1 | 121.6° | 122.4° |
| C2 | C1 | O7 | N8 | 178.8° | 179.8° |
| C1 | C2 | C6 | C5 | 93.7° | 142.6° |
| C2 | C1 | N8 | C9 | 177.8° | 180.0° |
| C1 | C2 | C6 | H5 | 25.7° | 23.7° |
| C1 | C2 | C6 | H6 | 146.9° | 98.5° |
| C1 | C2 | N3 | H18 | 144.9° | 82.1° |
| C2 | C1 | N8 | H20 | 2.1° | 0.1° |
| C2 | C6 | C5 | C4 | 16.5° | 0.0° |
| C6 | C2 | C1 | O7 | 107.9° | 100.3° |
| C6 | C2 | C1 | N8 | 71.0° | 80.0° |
| C2 | C6 | C5 | H5 | 119.4° | 118.9° |
| C2 | C6 | C5 | H6 | 119.4° | 118.8° |
| C2 | C6 | C5 | O36 | 136.5° | 118.9° |
| C2 | C6 | C5 | H4 | 101.3° | 119.0° |
| C2 | C6 | H5 | H6 | 121.8° | 122.1° |
| C6 | C2 | N3 | H18 | 96.4° | 159.1° |
| C4 | C5 | C6 | O36 | 120.0° | 118.9° |
| C4 | C5 | C6 | H4 | 117.8° | 119.0° |
| C4 | C5 | O36 | H4 | 121.4° | 122.1° |
| C5 | C4 | H2 | H3 | 120.7° | 122.4° |
| C4 | C5 | C6 | H5 | 135.9° | 118.9° |
| C4 | C5 | C6 | H6 | 102.9° | 118.8° |
| C5 | C4 | N3 | H18 | 106.8° | 159.1° |
| C4 | C5 | O36 | H35 | 180.0° | 61.4° |
| O7 | C1 | N8 | C9 | 1.1° | 0.2° |
| O7 | C1 | C2 | H1 | 130.5° | 137.3° |
| O7 | C1 | N8 | H20 | 179.0° | 179.7° |
| C1 | N8 | C9 | H20 | 180.0° | 179.9° |
| C1 | N8 | C9 | C13 | 177.7° | 86.4° |
| C1 | N8 | C9 | C10 | 66.7° | 160.0° |
| N8 | C1 | C2 | H1 | 50.6° | 42.4° |
| C1 | N8 | C9 | H21 | 55.3° | 36.8° |
| C6 | C5 | O36 | H4 | 121.5° | 122.2° |
| C5 | C6 | C2 | H1 | 144.7° | 95.0° |
| C6 | C5 | C4 | H2 | 117.1° | 142.6° |
| C6 | C5 | C4 | H3 | 122.4° | 95.0° |
| C5 | C6 | H5 | H6 | 121.8° | 122.2° |
| C6 | C5 | O36 | H35 | 62.9° | 177.1° |
| N8 | C9 | C13 | C10 | 118.3° | 118.3° |
| N8 | C9 | C13 | H21 | 123.1° | 123.1° |
| N8 | C9 | C10 | H21 | 122.6° | 123.2° |
| N8 | C9 | C13 | N12 | 97.3° | 140.6° |
| N8 | C9 | C10 | C11 | 89.3° | 153.9° |
| N8 | C9 | C10 | H7 | 30.0° | 88.0° |
| N8 | C9 | C10 | H8 | 151.5° | 35.8° |
| N8 | C9 | C13 | H10 | 143.4° | 100.1° |
| N8 | C9 | C13 | H11 | 22.0° | 21.0° |
| O36 | C5 | C4 | H2 | 2.7° | 98.5° |
| O36 | C5 | C4 | H3 | 117.8° | 23.9° |
| O36 | C5 | C6 | H5 | 104.1° | 122.2° |
| O36 | C5 | C6 | H6 | 17.0° | 0.1° |
| C13 | C9 | C10 | H21 | 118.6° | 118.5° |
| C9 | C13 | N12 | H10 | 119.3° | 119.4° |
| C9 | C13 | N12 | H11 | 119.3° | 119.6° |
| C13 | C9 | C10 | C11 | 29.6° | 35.5° |
| C9 | C13 | N12 | C11 | 4.3° | 1.0° |
| C9 | C13 | N12 | C14 | 176.5° | 178.9° |
| C13 | C9 | C10 | H7 | 148.9° | 153.6° |
| C13 | C9 | C10 | H8 | 89.7° | 82.6° |
| C9 | C13 | H10 | H11 | 122.1° | 121.2° |
| C13 | C9 | N8 | H20 | 2.3° | 93.5° |
| C10 | C9 | C13 | N12 | 20.9° | 22.2° |
| C9 | C10 | C11 | H7 | 119.3° | 118.1° |
| C9 | C10 | C11 | H8 | 119.3° | 118.1° |
| C9 | C10 | C11 | N12 | 26.6° | 37.0° |
| C9 | C10 | C11 | C19 | 96.0° | 155.8° |
| C9 | C10 | H7 | H8 | 122.1° | 123.9° |
| C9 | C10 | C11 | H9 | 144.7° | 81.9° |
| C10 | C9 | C13 | H10 | 98.3° | 141.5° |
| C10 | C9 | C13 | H11 | 140.2° | 97.3° |
| C10 | C9 | N8 | H20 | 113.3° | 20.0° |
| C13 | N12 | C11 | C10 | 14.0° | 24.1° |
| C13 | N12 | C11 | C14 | 179.2° | 179.9° |
| C13 | N12 | C11 | C19 | 103.1° | 142.9° |
| C13 | N12 | C14 | O15 | 2.8° | 174.6° |
| C13 | N12 | C14 | C16 | 177.9° | 5.4° |
| C13 | N12 | C11 | H9 | 131.6° | 94.8° |
| N12 | C13 | H10 | H11 | 122.1° | 121.0° |
| N12 | C13 | C9 | H21 | 139.6° | 96.3° |
| C10 | C11 | N12 | C19 | 117.1° | 118.8° |
| C10 | C11 | N12 | H9 | 117.7° | 118.9° |
| C10 | C11 | N12 | C14 | 165.2° | 155.8° |
| C10 | C11 | C19 | O21 | 106.4° | 100.0° |
| C10 | C11 | C19 | H9 | 119.1° | 122.2° |
| C10 | C11 | C19 | N20 | 73.2° | 80.0° |
| C11 | C10 | H7 | H8 | 122.0° | 123.9° |
| C11 | C10 | C9 | H21 | 148.2° | 82.9° |
| N12 | C11 | C19 | O21 | 8.9° | 15.4° |
| N12 | C11 | C19 | H9 | 125.5° | 122.4° |
| N12 | C11 | C19 | N20 | 171.4° | 164.6° |
| C11 | N12 | C14 | O15 | 176.3° | 5.5° |
| C11 | N12 | C14 | C16 | 3.0° | 174.5° |
| N12 | C11 | C10 | H7 | 145.9° | 155.1° |
| N12 | C11 | C10 | H8 | 92.7° | 81.1° |
| C11 | N12 | C13 | H10 | 115.0° | 118.3° |
| C11 | N12 | C13 | H11 | 123.6° | 120.6° |
| C14 | N12 | C11 | C19 | 77.7° | 37.0° |
| N12 | C14 | O15 | C16 | 179.4° | 180.0° |
| N12 | C14 | C16 | C17 | 139.8° | 85.9° |
| N12 | C14 | C16 | C18 | 97.6° | 154.1° |
| C14 | N12 | C11 | H9 | 47.6° | 85.3° |
| C14 | N12 | C13 | H10 | 64.2° | 61.7° |
| C14 | N12 | C13 | H11 | 57.2° | 59.3° |
| N12 | C14 | C16 | H22 | 20.6° | 34.2° |
| O21 | C19 | C11 | N20 | 179.6° | 180.0° |
| O21 | C19 | N20 | C22 | 0.1° | 0.0° |
| O21 | C19 | C11 | H9 | 134.5° | 137.8° |
| O21 | C19 | N20 | H29 | 180.0° | 180.0° |
| C11 | C19 | N20 | C22 | 179.7° | 180.0° |
| C19 | C11 | C10 | H7 | 23.3° | 86.1° |
| C19 | C11 | C10 | H8 | 144.7° | 37.7° |
| C11 | C19 | N20 | H29 | 0.3° | 0.0° |
| C19 | N20 | C22 | H29 | 180.0° | 180.0° |
| C19 | N20 | C22 | C23 | 169.8° | 180.0° |
| N20 | C19 | C11 | H9 | 45.9° | 42.2° |
| C19 | N20 | C22 | H12 | 50.1° | 60.0° |
| C19 | N20 | C22 | H13 | 70.5° | 60.0° |
| O15 | C14 | C16 | C17 | 40.8° | 94.1° |
| O15 | C14 | C16 | C18 | 81.7° | 25.8° |
| O15 | C14 | C16 | H22 | 160.0° | 145.8° |
| C14 | C16 | C17 | C18 | 121.8° | 120.0° |
| C14 | C16 | C17 | H22 | 119.3° | 120.1° |
| C14 | C16 | C18 | H22 | 118.3° | 120.1° |
| C14 | C16 | C17 | H23 | 180.0° | 173.7° |
| C14 | C16 | C17 | H24 | 60.0° | 66.3° |
| C14 | C16 | C17 | H25 | 60.0° | 53.7° |
| C14 | C16 | C18 | H26 | 180.0° | 60.0° |
| C14 | C16 | C18 | H27 | 60.0° | 180.0° |
| C14 | C16 | C18 | H28 | 60.0° | 60.0° |
| N20 | C22 | C23 | H12 | 119.6° | 120.0° |
| N20 | C22 | C23 | H13 | 119.7° | 120.0° |
| N20 | C22 | C23 | C24 | 61.7° | 89.7° |
| N20 | C22 | C23 | C28 | 117.7° | 90.0° |
| N20 | C22 | H12 | H13 | 121.0° | 120.0° |
| C22 | C23 | C24 | C28 | 179.3° | 179.7° |
| C22 | C23 | C24 | C25 | 179.8° | 180.0° |
| C22 | C23 | C28 | C27 | 179.7° | 179.8° |
| C23 | C22 | H12 | H13 | 121.0° | 120.0° |
| C22 | C23 | C24 | H14 | 0.2° | 0.0° |
| C23 | C22 | N20 | H29 | 10.2° | 0.0° |
| C22 | C23 | C28 | H31 | 0.3° | 0.0° |
| C23 | C24 | C25 | H14 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.3° | 0.0° |
| C24 | C23 | C28 | C27 | 0.3° | 0.6° |
| C24 | C23 | C22 | H12 | 178.7° | 30.3° |
| C24 | C23 | C22 | H13 | 58.0° | 150.3° |
| C23 | C24 | C25 | H15 | 179.7° | 179.9° |
| C24 | C23 | C28 | H31 | 179.7° | 179.7° |
| C25 | C24 | C23 | C28 | 0.4° | 0.3° |
| C24 | C25 | C26 | H15 | 180.0° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.0° |
| C24 | C25 | C26 | C29 | 179.2° | 179.9° |
| C23 | C28 | C27 | H31 | 180.0° | 179.7° |
| C23 | C28 | C27 | C26 | 0.1° | 0.5° |
| C28 | C23 | C22 | H12 | 2.0° | 150.0° |
| C28 | C23 | C22 | H13 | 122.7° | 30.0° |
| C28 | C23 | C24 | H14 | 179.5° | 179.7° |
| C23 | C28 | C27 | H30 | 179.8° | 179.7° |
| C25 | C26 | C27 | C28 | 0.1° | 0.2° |
| C25 | C26 | C27 | C29 | 179.3° | 180.0° |
| C25 | C26 | C29 | C30 | 173.9° | 80.0° |
| C26 | C25 | C24 | H14 | 179.6° | 180.0° |
| C25 | C26 | C27 | H30 | 179.9° | 180.0° |
| C17 | C16 | C18 | H22 | 118.8° | 120.0° |
| C16 | C17 | H23 | H24 | 120.0° | 120.0° |
| C16 | C17 | H23 | H25 | 120.0° | 120.1° |
| C16 | C17 | H24 | H25 | 120.0° | 120.0° |
| C17 | C16 | C18 | H26 | 57.2° | 180.0° |
| C17 | C16 | C18 | H27 | 177.2° | 60.0° |
| C17 | C16 | C18 | H28 | 62.8° | 60.0° |
| C18 | C16 | C17 | H23 | 58.1° | 53.7° |
| C18 | C16 | C17 | H24 | 61.9° | 173.7° |
| C18 | C16 | C17 | H25 | 178.2° | 66.3° |
| C16 | C18 | H26 | H27 | 120.0° | 120.1° |
| C16 | C18 | H26 | H28 | 120.0° | 120.0° |
| C16 | C18 | H27 | H28 | 120.0° | 120.0° |
| C28 | C27 | C26 | H30 | 180.0° | 179.8° |
| C28 | C27 | C26 | C29 | 179.3° | 179.8° |
| C27 | C26 | C29 | C30 | 5.4° | 100.0° |
| C27 | C26 | C25 | H15 | 179.8° | 179.9° |
| C26 | C27 | C28 | H31 | 179.8° | 179.7° |
| C26 | C29 | C30 | C31 | 2.5° | 82.3° |
| C29 | C26 | C25 | H15 | 0.8° | 0.0° |
| C29 | C26 | C27 | H30 | 0.8° | 0.0° |
| C29 | C30 | C31 | C32 | 31.9° | 174.3° |
| C30 | C31 | C32 | C33 | 103.2° | 160.7° |
| C31 | C32 | C33 | C35 | 170.9° | 164.1° |
| C31 | C32 | C33 | C34 | 121.5° | 95.5° |
| C31 | C32 | C33 | H32 | 23.1° | 50.2° |
| C32 | C33 | C35 | C34 | 104.9° | 107.5° |
| C32 | C33 | C35 | H32 | 148.1° | 145.0° |
| C32 | C33 | C34 | H32 | 145.0° | 145.0° |
| C32 | C33 | C35 | H16 | 145.6° | 145.0° |
| C32 | C33 | C35 | H17 | 4.7° | 0.0° |
| C32 | C33 | C34 | H33 | 1.5° | 145.1° |
| C32 | C33 | C34 | H34 | 142.6° | 0.0° |
| C35 | C33 | C34 | H32 | 107.1° | 107.5° |
| C33 | C35 | C34 | H16 | 109.5° | 107.5° |
| C33 | C35 | C34 | H17 | 109.5° | 107.5° |
| C33 | C35 | H16 | H17 | 144.7° | 145.7° |
| C35 | C33 | C34 | H33 | 109.4° | 107.5° |
| C35 | C33 | C34 | H34 | 109.4° | 107.5° |
| C33 | C34 | H33 | H34 | 144.8° | 145.7° |
| C34 | C35 | H16 | H17 | 144.6° | 145.7° |
| C35 | C34 | H33 | H34 | 144.8° | 145.7° |
| H1 | C2 | C6 | H5 | 96.0° | 146.1° |
| H1 | C2 | C6 | H6 | 25.2° | 23.9° |
| H1 | C2 | N3 | H18 | 23.3° | 40.2° |
| H2 | C4 | C5 | H4 | 124.9° | 23.6° |
| H2 | C4 | N3 | H18 | 12.9° | 82.2° |
| H3 | C4 | C5 | H4 | 4.4° | 146.0° |
| H3 | C4 | N3 | H18 | 133.4° | 40.3° |
| H4 | C5 | C6 | H5 | 18.1° | 0.1° |
| H4 | C5 | C6 | H6 | 139.3° | 122.2° |
| H4 | C5 | O36 | H35 | 58.6° | 60.7° |
| H7 | C10 | C11 | H9 | 95.9° | 36.1° |
| H7 | C10 | C9 | H21 | 92.5° | 35.2° |
| H8 | C10 | C11 | H9 | 25.5° | 160.0° |
| H8 | C10 | C9 | H21 | 28.9° | 158.9° |
| H10 | C13 | C9 | H21 | 20.3° | 23.0° |
| H11 | C13 | C9 | H21 | 101.1° | 144.2° |
| H12 | C22 | N20 | H29 | 129.8° | 120.0° |
| H13 | C22 | N20 | H29 | 109.5° | 120.0° |
| H14 | C24 | C25 | H15 | 0.4° | 0.1° |
| H16 | C35 | C33 | H32 | 2.5° | 0.0° |
| H16 | C35 | C34 | H33 | 141.0° | 0.0° |
| H16 | C35 | C34 | H34 | 0.1° | 145.0° |
| H17 | C35 | C33 | H32 | 143.5° | 145.0° |
| H17 | C35 | C34 | H33 | 0.1° | 145.0° |
| H17 | C35 | C34 | H34 | 141.0° | 0.0° |
| H20 | N8 | C9 | H21 | 124.7° | 143.3° |
| H22 | C16 | C17 | H23 | 60.7° | 66.2° |
| H22 | C16 | C17 | H24 | 179.3° | 53.8° |
| H22 | C16 | C17 | H25 | 59.3° | 173.8° |
| H22 | C16 | C18 | H26 | 61.7° | 60.1° |
| H22 | C16 | C18 | H27 | 58.3° | 60.0° |
| H22 | C16 | C18 | H28 | 178.3° | 180.0° |
| H23 | C17 | H24 | H25 | 120.0° | 120.0° |
| H26 | C18 | H27 | H28 | 120.0° | 120.0° |
| H30 | C27 | C28 | H31 | 0.2° | 0.1° |
| H32 | C33 | C34 | H33 | 143.5° | 0.0° |
| H32 | C33 | C34 | H34 | 2.3° | 145.0° |
