786
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C5 | C1 | sing | 1.55Å | 1.56Å | |
| C1 | N2 | sing | 1.47Å | 1.48Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H1A | sing | 1.09Å | 1.10Å | |
| C3 | N2 | sing | 1.47Å | 1.49Å | |
| N2 | C6 | sing | 1.35Å | 1.28Å | |
| C4 | C3 | sing | 1.54Å | 1.51Å | |
| C23 | C3 | sing | 1.51Å | 1.55Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | C5 | sing | 1.55Å | 1.54Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H4A | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H5A | sing | 1.09Å | 1.10Å | |
| C6 | O7 | doub | 1.21Å | 1.26Å | |
| C6 | C8 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | sing | 1.53Å | 1.57Å | |
| C8 | O11 | sing | 1.43Å | 1.41Å | |
| C8 | H8 | sing | 1.09Å | 1.10Å | |
| C9 | O14 | sing | 1.43Å | 1.49Å | |
| C9 | C10 | sing | 1.51Å | 1.52Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| O12 | C10 | doub | 1.21Å | 1.27Å | |
| C10 | N13 | sing | 1.35Å | 1.35Å | |
| O11 | HO11 | sing | 0.97Å | 0.95Å | |
| N13 | C15 | sing | 1.47Å | 1.49Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| O14 | HO14 | sing | 0.97Å | 0.95Å | |
| C15 | C34 | sing | 1.53Å | 1.55Å | |
| C15 | C16 | sing | 1.51Å | 1.53Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C21 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C16 | C17 | sing | 1.38Å | 1.45Å | Aromatic |
| C17 | C18 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C19 | C18 | sing | 1.39Å | 1.41Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C20 | C19 | doub | 1.39Å | 1.41Å | Aromatic |
| C19 | N22 | sing | 1.40Å | 1.43Å | Aromatic |
| C21 | C20 | sing | 1.38Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| N22 | C27 | sing | 1.35Å | 1.36Å | Aromatic |
| N22 | N24 | sing | 1.40Å | 1.43Å | Aromatic |
| C31 | C23 | doub | 1.33Å | 1.34Å | Aromatic |
| C23 | N28 | sing | 1.32Å | 1.41Å | Aromatic |
| N24 | C25 | doub | 1.31Å | 1.31Å | Aromatic |
| C26 | C25 | sing | 1.40Å | 1.47Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C27 | C26 | doub | 1.35Å | 1.32Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C29 | N28 | doub | 1.30Å | 1.35Å | Aromatic |
| S30 | C29 | sing | 1.71Å | 1.74Å | Aromatic |
| C29 | N32 | sing | 1.39Å | 1.38Å | |
| C31 | S30 | sing | 1.76Å | 1.77Å | Aromatic |
| S35 | C31 | sing | 1.76Å | 1.80Å | |
| N32 | C33 | sing | 1.46Å | 1.46Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C34 | H34 | sing | 1.09Å | 1.10Å | |
| C34 | H34A | sing | 1.09Å | 1.10Å | |
| C34 | H34B | sing | 1.09Å | 1.10Å | |
| O36 | S35 | doub | 1.42Å | 1.45Å | |
| S35 | C38 | sing | 1.81Å | 1.80Å | |
| S35 | O37 | doub | 1.42Å | 1.46Å | |
| C38 | H38 | sing | 1.09Å | 1.10Å | |
| C38 | H38A | sing | 1.09Å | 1.10Å | |
| C38 | H38B | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C5 | C1 | N2 | 109.1° | 104.8° |
| C5 | C1 | H1 | 109.6° | 110.4° |
| C5 | C1 | H1A | 109.6° | 110.4° |
| C1 | C5 | C4 | 104.5° | 101.6° |
| C1 | C5 | H5 | 111.1° | 111.0° |
| C1 | C5 | H5A | 111.2° | 111.0° |
| N2 | C1 | H1 | 109.6° | 110.4° |
| N2 | C1 | H1A | 109.6° | 110.3° |
| C1 | N2 | C3 | 107.8° | 108.7° |
| C1 | N2 | C6 | 128.9° | 125.6° |
| H1 | C1 | H1A | 109.4° | 110.3° |
| C3 | N2 | C6 | 123.3° | 125.7° |
| N2 | C3 | C4 | 109.3° | 107.3° |
| N2 | C3 | C23 | 107.6° | 109.9° |
| N2 | C3 | H3 | 109.8° | 109.9° |
| N2 | C6 | O7 | 122.0° | 120.0° |
| N2 | C6 | C8 | 119.5° | 120.0° |
| C4 | C3 | C23 | 106.1° | 110.0° |
| C4 | C3 | H3 | 111.2° | 109.9° |
| C3 | C4 | C5 | 107.1° | 102.9° |
| C3 | C4 | H4 | 110.3° | 110.7° |
| C3 | C4 | H4A | 110.3° | 110.7° |
| C23 | C3 | H3 | 112.8° | 109.8° |
| C3 | C23 | C31 | 124.5° | 122.7° |
| C3 | C23 | N28 | 122.9° | 122.6° |
| C5 | C4 | H4 | 110.3° | 110.7° |
| C5 | C4 | H4A | 110.3° | 110.7° |
| C4 | C5 | H5 | 111.2° | 110.9° |
| C4 | C5 | H5A | 111.2° | 111.0° |
| H4 | C4 | H4A | 108.7° | 110.8° |
| H5 | C5 | H5A | 107.7° | 110.9° |
| O7 | C6 | C8 | 118.4° | 119.9° |
| C6 | C8 | C9 | 103.1° | 109.5° |
| C6 | C8 | O11 | 104.4° | 109.5° |
| C6 | C8 | H8 | 116.0° | 109.4° |
| C9 | C8 | O11 | 107.9° | 109.5° |
| C9 | C8 | H8 | 113.0° | 109.5° |
| C8 | C9 | O14 | 104.7° | 109.5° |
| C8 | C9 | C10 | 107.2° | 109.5° |
| C8 | C9 | H9 | 114.9° | 109.5° |
| O11 | C8 | H8 | 111.7° | 109.5° |
| C8 | O11 | HO11 | 109.5° | 114.0° |
| O14 | C9 | C10 | 112.1° | 109.5° |
| O14 | C9 | H9 | 110.2° | 109.5° |
| C9 | O14 | HO14 | 109.5° | 114.0° |
| C10 | C9 | H9 | 107.8° | 109.5° |
| C9 | C10 | O12 | 120.3° | 120.0° |
| C9 | C10 | N13 | 117.0° | 120.0° |
| O12 | C10 | N13 | 122.7° | 120.0° |
| C10 | N13 | C15 | 123.8° | 120.0° |
| C10 | N13 | HN13 | 118.1° | 120.0° |
| C15 | N13 | HN13 | 118.1° | 120.0° |
| N13 | C15 | C34 | 110.2° | 109.4° |
| N13 | C15 | C16 | 110.0° | 109.4° |
| N13 | C15 | H15 | 109.5° | 109.5° |
| C34 | C15 | C16 | 111.9° | 109.5° |
| C34 | C15 | H15 | 107.5° | 109.5° |
| C15 | C34 | H34 | 109.5° | 109.5° |
| C15 | C34 | H34A | 109.5° | 109.4° |
| C15 | C34 | H34B | 109.5° | 109.5° |
| C16 | C15 | H15 | 107.7° | 109.5° |
| C15 | C16 | C21 | 122.3° | 119.9° |
| C15 | C16 | C17 | 118.9° | 119.9° |
| C21 | C16 | C17 | 118.8° | 120.2° |
| C16 | C21 | C20 | 121.2° | 120.0° |
| C16 | C21 | H21 | 119.4° | 120.0° |
| C16 | C17 | C18 | 119.1° | 120.1° |
| C16 | C17 | H17 | 120.5° | 120.0° |
| C18 | C17 | H17 | 120.5° | 120.0° |
| C17 | C18 | C19 | 121.4° | 120.0° |
| C17 | C18 | H18 | 119.3° | 120.1° |
| C19 | C18 | H18 | 119.3° | 120.0° |
| C18 | C19 | C20 | 120.2° | 119.8° |
| C18 | C19 | N22 | 120.9° | 120.1° |
| C20 | C19 | N22 | 118.9° | 120.0° |
| C19 | C20 | C21 | 119.3° | 120.0° |
| C19 | C20 | H20 | 120.3° | 120.0° |
| C19 | N22 | C27 | 128.9° | 126.1° |
| C19 | N22 | N24 | 122.4° | 126.0° |
| C21 | C20 | H20 | 120.4° | 120.0° |
| C20 | C21 | H21 | 119.4° | 120.0° |
| C27 | N22 | N24 | 108.8° | 107.9° |
| N22 | C27 | C26 | 109.4° | 107.7° |
| N22 | C27 | H27 | 125.3° | 126.1° |
| N22 | N24 | C25 | 106.3° | 108.2° |
| C31 | C23 | N28 | 112.6° | 114.7° |
| C23 | C31 | S30 | 107.8° | 108.0° |
| C23 | C31 | S35 | 129.0° | 126.0° |
| C23 | N28 | C29 | 119.8° | 116.8° |
| N24 | C25 | C26 | 108.9° | 108.2° |
| N24 | C25 | H25 | 125.5° | 125.9° |
| C26 | C25 | H25 | 125.5° | 125.9° |
| C25 | C26 | C27 | 106.5° | 107.9° |
| C25 | C26 | H26 | 126.7° | 126.1° |
| C27 | C26 | H26 | 126.7° | 126.0° |
| C26 | C27 | H27 | 125.3° | 126.1° |
| N28 | C29 | S30 | 104.3° | 110.1° |
| N28 | C29 | N32 | 131.8° | 124.9° |
| S30 | C29 | N32 | 123.9° | 125.0° |
| C29 | S30 | C31 | 95.4° | 90.4° |
| C29 | N32 | C33 | 108.7° | 120.0° |
| C29 | N32 | HN32 | 109.7° | 120.0° |
| S30 | C31 | S35 | 123.2° | 126.0° |
| C31 | S35 | O36 | 103.6° | 104.2° |
| C31 | S35 | C38 | 116.7° | 104.4° |
| C31 | S35 | O37 | 109.4° | 104.3° |
| C33 | N32 | HN32 | 109.7° | 120.0° |
| N32 | C33 | H33 | 109.5° | 109.5° |
| N32 | C33 | H33A | 109.5° | 109.5° |
| N32 | C33 | H33B | 109.4° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.5° |
| H33 | C33 | H33B | 109.5° | 109.4° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H34 | C34 | H34A | 109.5° | 109.5° |
| H34 | C34 | H34B | 109.4° | 109.5° |
| H34A | C34 | H34B | 109.5° | 109.4° |
| O36 | S35 | C38 | 113.0° | 110.6° |
| O36 | S35 | O37 | 107.7° | 121.1° |
| C38 | S35 | O37 | 106.2° | 110.5° |
| S35 | C38 | H38 | 109.5° | 109.5° |
| S35 | C38 | H38A | 109.5° | 109.4° |
| S35 | C38 | H38B | 109.4° | 109.5° |
| H38 | C38 | H38A | 109.4° | 109.4° |
| H38 | C38 | H38B | 109.4° | 109.5° |
| H38A | C38 | H38B | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C5 | C1 | N2 | H1 | 120.0° | 118.9° |
| C5 | C1 | N2 | H1A | 120.0° | 118.9° |
| C5 | C1 | H1 | H1A | 120.1° | 122.3° |
| C5 | C1 | N2 | C3 | 1.7° | 24.2° |
| C5 | C1 | N2 | C6 | 179.6° | 155.8° |
| C1 | C5 | C4 | C3 | 13.5° | 35.5° |
| C1 | C5 | C4 | H5 | 120.0° | 118.1° |
| C1 | C5 | C4 | H5A | 120.0° | 118.1° |
| C1 | C5 | C4 | H4 | 106.5° | 153.8° |
| C1 | C5 | C4 | H4A | 133.5° | 82.8° |
| C1 | C5 | H5 | H5A | 122.0° | 124.0° |
| N2 | C1 | H1 | H1A | 120.1° | 122.3° |
| C1 | N2 | C3 | C6 | 178.8° | 180.0° |
| C1 | N2 | C3 | C4 | 10.5° | 1.1° |
| C1 | N2 | C3 | C23 | 104.2° | 118.5° |
| C1 | N2 | C3 | H3 | 132.7° | 120.5° |
| N2 | C1 | C5 | C4 | 7.4° | 37.1° |
| N2 | C1 | C5 | H5 | 112.6° | 155.1° |
| N2 | C1 | C5 | H5A | 127.4° | 81.0° |
| C1 | N2 | C6 | O7 | 179.9° | 180.0° |
| C1 | N2 | C6 | C8 | 0.8° | 0.0° |
| H1 | C1 | N2 | C3 | 121.7° | 94.7° |
| H1 | C1 | N2 | C6 | 59.6° | 85.3° |
| H1 | C1 | C5 | C4 | 112.6° | 81.9° |
| H1 | C1 | C5 | H5 | 127.4° | 36.1° |
| H1 | C1 | C5 | H5A | 7.4° | 160.1° |
| H1A | C1 | N2 | C3 | 118.3° | 143.0° |
| H1A | C1 | N2 | C6 | 60.4° | 37.0° |
| H1A | C1 | C5 | C4 | 127.4° | 155.9° |
| H1A | C1 | C5 | H5 | 7.4° | 86.1° |
| H1A | C1 | C5 | H5A | 112.6° | 37.8° |
| N2 | C3 | C4 | C23 | 115.7° | 119.5° |
| N2 | C3 | C4 | H3 | 121.3° | 119.4° |
| N2 | C3 | C23 | H3 | 121.2° | 121.0° |
| N2 | C3 | C4 | C5 | 15.2° | 22.2° |
| N2 | C3 | C4 | H4 | 104.8° | 140.5° |
| N2 | C3 | C4 | H4A | 135.3° | 96.2° |
| C3 | N2 | C6 | O7 | 1.4° | 0.0° |
| C3 | N2 | C6 | C8 | 177.7° | 180.0° |
| N2 | C3 | C23 | C31 | 150.3° | 135.3° |
| N2 | C3 | C23 | N28 | 30.6° | 45.1° |
| C6 | N2 | C3 | C4 | 170.7° | 178.9° |
| C6 | N2 | C3 | C23 | 74.5° | 61.5° |
| C6 | N2 | C3 | H3 | 48.5° | 59.5° |
| N2 | C6 | O7 | C8 | 179.1° | 180.0° |
| N2 | C6 | C8 | C9 | 82.5° | 65.0° |
| N2 | C6 | C8 | O11 | 164.9° | 175.0° |
| N2 | C6 | C8 | H8 | 41.5° | 55.0° |
| C4 | C3 | C23 | H3 | 121.9° | 121.0° |
| C3 | C4 | C5 | H4 | 120.0° | 118.3° |
| C3 | C4 | C5 | H4A | 120.0° | 118.3° |
| C3 | C4 | H4 | H4A | 121.0° | 123.3° |
| C3 | C4 | C5 | H5 | 106.5° | 153.6° |
| C3 | C4 | C5 | H5A | 133.5° | 82.6° |
| C4 | C3 | C23 | C31 | 92.8° | 106.8° |
| C4 | C3 | C23 | N28 | 86.3° | 72.9° |
| C23 | C3 | C4 | C5 | 100.5° | 141.7° |
| C23 | C3 | C4 | H4 | 139.5° | 100.0° |
| C23 | C3 | C4 | H4A | 19.5° | 23.3° |
| C3 | C23 | C31 | N28 | 179.2° | 179.7° |
| C3 | C23 | N28 | C29 | 179.1° | 180.0° |
| C3 | C23 | C31 | S30 | 179.7° | 179.9° |
| C3 | C23 | C31 | S35 | 0.9° | 0.0° |
| H3 | C3 | C4 | C5 | 136.6° | 97.3° |
| H3 | C3 | C4 | H4 | 16.6° | 21.1° |
| H3 | C3 | C4 | H4A | 103.4° | 144.4° |
| H3 | C3 | C23 | C31 | 29.1° | 14.3° |
| H3 | C3 | C23 | N28 | 151.8° | 166.1° |
| C5 | C4 | H4 | H4A | 121.0° | 123.3° |
| C4 | C5 | H5 | H5A | 122.0° | 123.8° |
| H4 | C4 | C5 | H5 | 133.5° | 88.1° |
| H4 | C4 | C5 | H5A | 13.5° | 35.7° |
| H4A | C4 | C5 | H5 | 13.5° | 35.3° |
| H4A | C4 | C5 | H5A | 106.5° | 159.1° |
| O7 | C6 | C8 | C9 | 96.7° | 115.0° |
| O7 | C6 | C8 | O11 | 16.0° | 5.0° |
| O7 | C6 | C8 | H8 | 139.4° | 125.0° |
| C6 | C8 | C9 | O11 | 110.1° | 120.0° |
| C6 | C8 | C9 | H8 | 125.9° | 119.9° |
| C6 | C8 | O11 | H8 | 126.1° | 120.0° |
| C6 | C8 | C9 | O14 | 70.1° | 55.0° |
| C6 | C8 | C9 | C10 | 170.6° | 175.0° |
| C6 | C8 | C9 | H9 | 50.9° | 65.0° |
| C6 | C8 | O11 | HO11 | 7.4° | 60.0° |
| C9 | C8 | O11 | H8 | 124.7° | 120.0° |
| C8 | C9 | O14 | C10 | 115.9° | 120.0° |
| C8 | C9 | O14 | H9 | 124.0° | 120.0° |
| C8 | C9 | C10 | H9 | 124.2° | 120.0° |
| C8 | C9 | C10 | O12 | 77.6° | 115.0° |
| C8 | C9 | C10 | N13 | 100.7° | 65.0° |
| C9 | C8 | O11 | HO11 | 101.7° | 60.0° |
| C8 | C9 | O14 | HO14 | 180.0° | 60.0° |
| O11 | C8 | C9 | O14 | 40.0° | 65.0° |
| O11 | C8 | C9 | C10 | 79.3° | 55.0° |
| O11 | C8 | C9 | H9 | 161.0° | 175.0° |
| H8 | C8 | C9 | O14 | 164.0° | 175.0° |
| H8 | C8 | C9 | C10 | 44.7° | 65.0° |
| H8 | C8 | C9 | H9 | 75.0° | 55.0° |
| H8 | C8 | O11 | HO11 | 133.5° | 180.0° |
| O14 | C9 | C10 | H9 | 121.5° | 120.0° |
| O14 | C9 | C10 | O12 | 168.1° | 5.0° |
| O14 | C9 | C10 | N13 | 13.6° | 175.0° |
| C9 | C10 | O12 | N13 | 178.2° | 180.0° |
| C9 | C10 | N13 | C15 | 179.4° | 180.0° |
| C9 | C10 | N13 | HN13 | 0.6° | 0.1° |
| C10 | C9 | O14 | HO14 | 64.1° | 60.0° |
| H9 | C9 | C10 | O12 | 46.6° | 125.0° |
| H9 | C9 | C10 | N13 | 135.1° | 55.0° |
| H9 | C9 | O14 | HO14 | 56.0° | 180.0° |
| O12 | C10 | N13 | C15 | 1.2° | 0.0° |
| O12 | C10 | N13 | HN13 | 178.8° | 179.9° |
| C10 | N13 | C15 | HN13 | 180.0° | 179.9° |
| C10 | N13 | C15 | C34 | 83.8° | 85.1° |
| C10 | N13 | C15 | C16 | 152.4° | 155.0° |
| C10 | N13 | C15 | H15 | 34.3° | 35.0° |
| N13 | C15 | C34 | C16 | 122.8° | 119.9° |
| N13 | C15 | C34 | H15 | 119.2° | 120.0° |
| N13 | C15 | C16 | H15 | 119.3° | 120.0° |
| N13 | C15 | C16 | C21 | 6.4° | 39.7° |
| N13 | C15 | C16 | C17 | 173.3° | 140.1° |
| N13 | C15 | C34 | H34 | 180.0° | 59.9° |
| N13 | C15 | C34 | H34A | 60.0° | 60.1° |
| N13 | C15 | C34 | H34B | 60.0° | 180.0° |
| HN13 | N13 | C15 | C34 | 96.2° | 95.0° |
| HN13 | N13 | C15 | C16 | 27.6° | 24.9° |
| HN13 | N13 | C15 | H15 | 145.7° | 144.9° |
| C34 | C15 | C16 | H15 | 117.9° | 120.1° |
| C34 | C15 | C16 | C21 | 129.2° | 80.2° |
| C34 | C15 | C16 | C17 | 50.5° | 100.0° |
| C15 | C34 | H34 | H34A | 120.0° | 120.0° |
| C15 | C34 | H34 | H34B | 120.0° | 120.0° |
| C15 | C34 | H34A | H34B | 120.0° | 119.9° |
| C15 | C16 | C21 | C17 | 179.7° | 179.8° |
| C15 | C16 | C17 | C18 | 179.0° | 180.0° |
| C15 | C16 | C17 | H17 | 1.0° | 0.0° |
| C15 | C16 | C21 | C20 | 179.7° | 179.7° |
| C15 | C16 | C21 | H21 | 0.3° | 0.0° |
| C16 | C15 | C34 | H34 | 57.2° | 60.0° |
| C16 | C15 | C34 | H34A | 62.8° | 180.0° |
| C16 | C15 | C34 | H34B | 177.2° | 60.1° |
| H15 | C15 | C16 | C21 | 112.9° | 159.7° |
| H15 | C15 | C16 | C17 | 67.4° | 20.1° |
| H15 | C15 | C34 | H34 | 60.8° | 179.9° |
| H15 | C15 | C34 | H34A | 179.2° | 59.9° |
| H15 | C15 | C34 | H34B | 59.2° | 60.0° |
| C21 | C16 | C17 | C18 | 0.7° | 0.2° |
| C21 | C16 | C17 | H17 | 179.3° | 179.8° |
| C16 | C21 | C20 | C19 | 1.4° | 0.5° |
| C16 | C21 | C20 | H21 | 180.0° | 179.8° |
| C16 | C21 | C20 | H20 | 178.6° | 179.8° |
| C16 | C17 | C18 | H17 | 180.0° | 180.0° |
| C16 | C17 | C18 | C19 | 1.3° | 0.0° |
| C16 | C17 | C18 | H18 | 178.7° | 180.0° |
| C17 | C16 | C21 | C20 | 0.6° | 0.5° |
| C17 | C16 | C21 | H21 | 179.4° | 179.8° |
| C17 | C18 | C19 | H18 | 180.0° | 180.0° |
| C17 | C18 | C19 | C20 | 0.5° | 0.0° |
| C17 | C18 | C19 | N22 | 178.2° | 179.9° |
| H17 | C17 | C18 | C19 | 178.7° | 180.0° |
| H17 | C17 | C18 | H18 | 1.3° | 0.0° |
| C18 | C19 | C20 | N22 | 178.8° | 179.9° |
| C18 | C19 | C20 | C21 | 0.8° | 0.3° |
| C18 | C19 | C20 | H20 | 179.2° | 180.0° |
| C18 | C19 | N22 | C27 | 142.5° | 180.0° |
| C18 | C19 | N22 | N24 | 38.0° | 0.4° |
| H18 | C18 | C19 | C20 | 179.5° | 179.9° |
| H18 | C18 | C19 | N22 | 1.8° | 0.0° |
| C19 | C20 | C21 | H20 | 180.0° | 179.7° |
| C19 | C20 | C21 | H21 | 178.6° | 179.7° |
| C20 | C19 | N22 | C27 | 38.7° | 0.1° |
| C20 | C19 | N22 | N24 | 140.8° | 179.7° |
| N22 | C19 | C20 | C21 | 179.6° | 179.8° |
| N22 | C19 | C20 | H20 | 0.4° | 0.1° |
| C19 | N22 | C27 | N24 | 179.5° | 179.7° |
| C19 | N22 | N24 | C25 | 179.8° | 180.0° |
| C19 | N22 | C27 | C26 | 179.3° | 179.9° |
| C19 | N22 | C27 | H27 | 0.7° | 0.0° |
| H20 | C20 | C21 | H21 | 1.4° | 0.0° |
| C27 | N22 | N24 | C25 | 0.2° | 0.3° |
| N22 | C27 | C26 | C25 | 0.7° | 0.4° |
| N22 | C27 | C26 | H27 | 180.0° | 179.9° |
| N22 | C27 | C26 | H26 | 179.4° | 179.8° |
| N22 | N24 | C25 | C26 | 0.6° | 0.0° |
| N22 | N24 | C25 | H25 | 179.3° | 179.9° |
| N24 | N22 | C27 | C26 | 0.3° | 0.4° |
| N24 | N22 | C27 | H27 | 179.7° | 179.7° |
| C31 | C23 | N28 | C29 | 0.2° | 0.3° |
| C23 | C31 | S30 | C29 | 0.9° | 0.3° |
| C23 | C31 | S30 | S35 | 179.4° | 179.9° |
| C23 | C31 | S35 | O36 | 122.4° | 154.0° |
| C23 | C31 | S35 | C38 | 2.5° | 90.0° |
| C23 | C31 | S35 | O37 | 123.0° | 26.1° |
| C23 | N28 | C29 | S30 | 0.8° | 0.0° |
| C23 | N28 | C29 | N32 | 180.0° | 180.0° |
| N28 | C23 | C31 | S30 | 0.5° | 0.4° |
| N28 | C23 | C31 | S35 | 179.9° | 179.7° |
| N24 | C25 | C26 | H25 | 180.0° | 180.0° |
| N24 | C25 | C26 | C27 | 0.8° | 0.2° |
| N24 | C25 | C26 | H26 | 179.2° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 179.8° |
| C25 | C26 | C27 | H27 | 179.4° | 179.7° |
| H25 | C25 | C26 | C27 | 179.2° | 179.8° |
| H25 | C25 | C26 | H26 | 0.8° | 0.0° |
| H26 | C26 | C27 | H27 | 0.6° | 0.1° |
| N28 | C29 | S30 | N32 | 179.3° | 180.0° |
| N28 | C29 | S30 | C31 | 0.9° | 0.2° |
| N28 | C29 | N32 | C33 | 8.9° | 180.0° |
| N28 | C29 | N32 | HN32 | 128.9° | 0.0° |
| C29 | S30 | C31 | S35 | 179.7° | 179.8° |
| S30 | C29 | N32 | C33 | 172.0° | 0.1° |
| S30 | C29 | N32 | HN32 | 52.0° | 180.0° |
| N32 | C29 | S30 | C31 | 179.8° | 179.8° |
| C29 | N32 | C33 | HN32 | 120.0° | 180.0° |
| C29 | N32 | C33 | H33 | 180.0° | 60.0° |
| C29 | N32 | C33 | H33A | 60.0° | 60.0° |
| C29 | N32 | C33 | H33B | 60.0° | 180.0° |
| S30 | C31 | S35 | O36 | 58.3° | 26.2° |
| S30 | C31 | S35 | C38 | 176.8° | 89.9° |
| S30 | C31 | S35 | O37 | 56.3° | 154.0° |
| C31 | S35 | O36 | C38 | 127.2° | 111.7° |
| C31 | S35 | O36 | O37 | 115.9° | 116.7° |
| C31 | S35 | C38 | O37 | 122.2° | 111.6° |
| C31 | S35 | C38 | H38 | 180.0° | 60.0° |
| C31 | S35 | C38 | H38A | 60.0° | 180.0° |
| C31 | S35 | C38 | H38B | 60.0° | 60.0° |
| N32 | C33 | H33 | H33A | 120.0° | 120.0° |
| N32 | C33 | H33 | H33B | 120.0° | 120.0° |
| N32 | C33 | H33A | H33B | 120.0° | 120.1° |
| HN32 | N32 | C33 | H33 | 60.0° | 120.0° |
| HN32 | N32 | C33 | H33A | 180.0° | 120.0° |
| HN32 | N32 | C33 | H33B | 60.0° | 0.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H34 | C34 | H34A | H34B | 120.0° | 120.0° |
| O36 | S35 | C38 | O37 | 117.8° | 136.8° |
| O36 | S35 | C38 | H38 | 60.0° | 51.5° |
| O36 | S35 | C38 | H38A | 60.0° | 68.4° |
| O36 | S35 | C38 | H38B | 180.0° | 171.6° |
| S35 | C38 | H38 | H38A | 120.0° | 120.0° |
| S35 | C38 | H38 | H38B | 120.0° | 120.1° |
| S35 | C38 | H38A | H38B | 120.0° | 120.0° |
| O37 | S35 | C38 | H38 | 57.8° | 171.6° |
| O37 | S35 | C38 | H38A | 177.8° | 68.4° |
| O37 | S35 | C38 | H38B | 62.2° | 51.6° |
| H38 | C38 | H38A | H38B | 120.0° | 120.0° |
