730
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| S1 | O39 | doub | 1.42Å | 1.44Å | |
| S1 | O38 | doub | 1.42Å | 1.46Å | |
| S1 | N12 | sing | 1.66Å | 1.59Å | |
| S1 | C2 | sing | 1.76Å | 1.78Å | |
| N12 | C13 | sing | 1.47Å | 1.44Å | |
| N12 | HN12 | sing | 0.97Å | 1.00Å | |
| C13 | C24 | sing | 1.51Å | 1.54Å | |
| C13 | C14 | sing | 1.53Å | 1.57Å | |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C24 | N26 | sing | 1.35Å | 1.41Å | |
| C24 | O25 | doub | 1.21Å | 1.24Å | |
| N26 | C31 | sing | 1.47Å | 1.49Å | |
| N26 | C27 | sing | 1.47Å | 1.49Å | |
| C31 | C30 | sing | 1.53Å | 1.56Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C30 | C29 | sing | 1.53Å | 1.55Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C29 | C32 | sing | 1.53Å | 1.59Å | |
| C29 | C28 | sing | 1.53Å | 1.58Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C32 | C33 | sing | 1.53Å | 1.57Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | N34 | sing | 1.47Å | 1.49Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N34 | C35 | sing | 1.37Å | 1.34Å | |
| N34 | HN34 | sing | 0.97Å | 1.00Å | |
| C35 | N37 | doub | 1.30Å | 1.32Å | |
| C35 | N36 | sing | 1.38Å | 1.32Å | |
| N37 | HN37 | sing | 0.97Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å | |
| N36 | H362 | sing | 0.97Å | 1.00Å | |
| C28 | C27 | sing | 1.53Å | 1.59Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.51Å | 1.54Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C20 | doub | 1.38Å | 1.44Å | Aromatic |
| C15 | C16 | sing | 1.38Å | 1.44Å | Aromatic |
| C20 | C19 | sing | 1.40Å | 1.43Å | Aromatic |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C19 | C21 | sing | 1.48Å | 1.51Å | |
| C19 | C18 | doub | 1.39Å | 1.43Å | Aromatic |
| C21 | N23 | doub | 1.38Å | 1.31Å | |
| C21 | N22 | sing | 1.30Å | 1.31Å | |
| N23 | HN23 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 5.43Å | 1.00Å | |
| N22 | H222 | sing | 0.97Å | 1.00Å | |
| C18 | C17 | sing | 1.38Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C17 | C16 | doub | 1.38Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C16 | H16 | sing | 1.08Å | 1.08Å | |
| C2 | C7 | sing | 1.39Å | 1.43Å | Aromatic |
| C2 | C3 | doub | 1.36Å | 1.43Å | Aromatic |
| C7 | C6 | doub | 1.36Å | 1.43Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C6 | C5 | sing | 1.41Å | 1.43Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C5 | C11 | doub | 1.41Å | 1.43Å | Aromatic |
| C5 | C4 | sing | 1.42Å | 1.44Å | Aromatic |
| C11 | C10 | sing | 1.36Å | 1.43Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.08Å | |
| C10 | C9 | doub | 1.39Å | 1.43Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C9 | C8 | sing | 1.36Å | 1.42Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C8 | C4 | doub | 1.41Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C4 | C3 | sing | 1.41Å | 1.41Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O39 | S1 | O38 | 117.9° | 125.4° |
| O39 | S1 | N12 | 108.6° | 105.8° |
| O39 | S1 | C2 | 109.9° | 105.7° |
| O38 | S1 | N12 | 108.9° | 105.8° |
| O38 | S1 | C2 | 109.0° | 105.7° |
| N12 | S1 | C2 | 101.3° | 107.4° |
| S1 | N12 | C13 | 124.4° | 120.0° |
| S1 | N12 | HN12 | 104.8° | 120.1° |
| S1 | C2 | C7 | 121.5° | 119.5° |
| S1 | C2 | C3 | 118.6° | 119.5° |
| C13 | N12 | HN12 | 104.8° | 120.0° |
| N12 | C13 | C24 | 107.2° | 109.5° |
| N12 | C13 | C14 | 117.8° | 109.4° |
| N12 | C13 | H13 | 105.2° | 109.5° |
| C24 | C13 | C14 | 108.9° | 109.5° |
| C24 | C13 | H13 | 114.7° | 109.5° |
| C13 | C24 | N26 | 126.1° | 120.0° |
| C13 | C24 | O25 | 113.2° | 120.0° |
| C14 | C13 | H13 | 103.3° | 109.4° |
| C13 | C14 | C15 | 117.0° | 109.5° |
| C13 | C14 | H141 | 107.1° | 109.5° |
| C13 | C14 | H142 | 105.3° | 109.4° |
| N26 | C24 | O25 | 120.7° | 120.0° |
| C24 | N26 | C31 | 118.2° | 120.6° |
| C24 | N26 | C27 | 123.4° | 120.7° |
| C31 | N26 | C27 | 118.3° | 118.7° |
| N26 | C31 | C30 | 111.4° | 108.8° |
| N26 | C31 | H311 | 108.8° | 109.6° |
| N26 | C31 | H312 | 108.4° | 109.6° |
| N26 | C27 | C28 | 110.2° | 108.8° |
| N26 | C27 | H271 | 109.2° | 109.6° |
| N26 | C27 | H272 | 109.1° | 109.6° |
| C30 | C31 | H311 | 108.9° | 109.6° |
| C30 | C31 | H312 | 108.4° | 109.6° |
| C31 | C30 | C29 | 112.8° | 109.3° |
| C31 | C30 | H301 | 108.4° | 109.5° |
| C31 | C30 | H302 | 107.6° | 109.5° |
| H311 | C31 | H312 | 110.9° | 109.7° |
| C29 | C30 | H301 | 108.3° | 109.5° |
| C29 | C30 | H302 | 107.6° | 109.5° |
| C30 | C29 | C32 | 110.7° | 109.5° |
| C30 | C29 | C28 | 108.6° | 109.5° |
| C30 | C29 | H29 | 111.0° | 109.5° |
| H301 | C30 | H302 | 112.1° | 109.5° |
| C32 | C29 | C28 | 114.1° | 109.4° |
| C32 | C29 | H29 | 105.0° | 109.4° |
| C29 | C32 | C33 | 119.9° | 109.5° |
| C29 | C32 | H321 | 106.1° | 109.5° |
| C29 | C32 | H322 | 103.7° | 109.4° |
| C28 | C29 | H29 | 107.3° | 109.4° |
| C29 | C28 | C27 | 112.2° | 109.3° |
| C29 | C28 | H281 | 108.6° | 109.5° |
| C29 | C28 | H282 | 108.0° | 109.5° |
| C33 | C32 | H321 | 106.1° | 109.5° |
| C33 | C32 | H322 | 103.7° | 109.5° |
| C32 | C33 | N34 | 110.7° | 109.4° |
| C32 | C33 | H331 | 109.0° | 109.5° |
| C32 | C33 | H332 | 108.8° | 109.4° |
| H321 | C32 | H322 | 118.1° | 109.5° |
| N34 | C33 | H331 | 109.1° | 109.5° |
| N34 | C33 | H332 | 108.8° | 109.5° |
| C33 | N34 | C35 | 125.3° | 120.0° |
| C33 | N34 | HN34 | 117.3° | 120.0° |
| H331 | C33 | H332 | 110.4° | 109.5° |
| C35 | N34 | HN34 | 117.3° | 120.0° |
| N34 | C35 | N37 | 118.7° | 120.0° |
| N34 | C35 | N36 | 123.4° | 120.0° |
| N37 | C35 | N36 | 117.9° | 120.0° |
| C35 | N37 | HN37 | 110.5° | 120.0° |
| C35 | N36 | H361 | 110.5° | 120.0° |
| C35 | N36 | H362 | 124.7° | 119.9° |
| H361 | N36 | H362 | 124.8° | 120.1° |
| C27 | C28 | H281 | 108.6° | 109.5° |
| C27 | C28 | H282 | 108.0° | 109.5° |
| C28 | C27 | H271 | 109.3° | 109.6° |
| C28 | C27 | H272 | 109.1° | 109.6° |
| H281 | C28 | H282 | 111.6° | 109.5° |
| H271 | C27 | H272 | 110.0° | 109.7° |
| C15 | C14 | H141 | 107.0° | 109.5° |
| C15 | C14 | H142 | 105.3° | 109.5° |
| C14 | C15 | C20 | 121.2° | 119.9° |
| C14 | C15 | C16 | 120.1° | 120.0° |
| H141 | C14 | H142 | 115.6° | 109.4° |
| C20 | C15 | C16 | 118.7° | 120.1° |
| C15 | C20 | C19 | 120.9° | 119.9° |
| C15 | C20 | H20 | 119.5° | 120.1° |
| C15 | C16 | C17 | 120.6° | 120.3° |
| C15 | C16 | H16 | 119.7° | 119.8° |
| C19 | C20 | H20 | 119.6° | 120.0° |
| C20 | C19 | C21 | 120.9° | 120.1° |
| C20 | C19 | C18 | 118.9° | 119.7° |
| C21 | C19 | C18 | 120.2° | 120.1° |
| C19 | C21 | N23 | 120.1° | 120.0° |
| C19 | C21 | N22 | 119.6° | 120.0° |
| C19 | C18 | C17 | 120.9° | 119.9° |
| C19 | C18 | H18 | 119.6° | 120.0° |
| N23 | C21 | N22 | 120.3° | 120.0° |
| C21 | N23 | HN23 | 108.6° | 120.0° |
| C21 | N22 | H221 | 108.7° | 95.0° |
| C21 | N22 | H222 | 125.7° | 120.1° |
| H221 | N22 | H222 | 125.6° | 134.5° |
| C17 | C18 | H18 | 119.6° | 120.1° |
| C18 | C17 | C16 | 120.0° | 120.1° |
| C18 | C17 | H17 | 120.0° | 119.9° |
| C16 | C17 | H17 | 120.0° | 119.9° |
| C17 | C16 | H16 | 119.7° | 119.9° |
| C7 | C2 | C3 | 119.9° | 121.0° |
| C2 | C7 | C6 | 119.8° | 121.0° |
| C2 | C7 | H7 | 120.1° | 119.5° |
| C2 | C3 | C4 | 120.8° | 119.6° |
| C2 | C3 | H3 | 119.6° | 120.2° |
| C6 | C7 | H7 | 120.1° | 119.5° |
| C7 | C6 | C5 | 120.2° | 119.6° |
| C7 | C6 | H6 | 119.9° | 120.2° |
| C5 | C6 | H6 | 119.9° | 120.2° |
| C6 | C5 | C11 | 121.0° | 121.3° |
| C6 | C5 | C4 | 119.6° | 119.4° |
| C11 | C5 | C4 | 119.4° | 119.4° |
| C5 | C11 | C10 | 120.1° | 119.7° |
| C5 | C11 | H11 | 119.9° | 120.2° |
| C5 | C4 | C8 | 119.9° | 119.3° |
| C5 | C4 | C3 | 119.7° | 119.4° |
| C10 | C11 | H11 | 120.0° | 120.1° |
| C11 | C10 | C9 | 120.3° | 121.0° |
| C11 | C10 | H10 | 119.9° | 119.5° |
| C9 | C10 | H10 | 119.8° | 119.5° |
| C10 | C9 | C8 | 120.0° | 121.0° |
| C10 | C9 | H9 | 120.0° | 119.5° |
| C8 | C9 | H9 | 120.0° | 119.5° |
| C9 | C8 | C4 | 120.2° | 119.7° |
| C9 | C8 | H8 | 119.9° | 120.2° |
| C4 | C8 | H8 | 119.9° | 120.1° |
| C8 | C4 | C3 | 120.4° | 121.3° |
| C4 | C3 | H3 | 119.6° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O39 | S1 | O38 | N12 | 124.2° | 123.2° |
| O39 | S1 | O38 | C2 | 126.1° | 123.1° |
| O39 | S1 | N12 | C2 | 115.6° | 112.6° |
| O39 | S1 | N12 | C13 | 176.5° | 177.6° |
| O39 | S1 | N12 | HN12 | 56.4° | 2.4° |
| O39 | S1 | C2 | C7 | 49.0° | 22.6° |
| O39 | S1 | C2 | C3 | 132.3° | 157.1° |
| O38 | S1 | N12 | C2 | 114.8° | 112.6° |
| O38 | S1 | N12 | C13 | 54.0° | 47.6° |
| O38 | S1 | N12 | HN12 | 174.0° | 132.4° |
| O38 | S1 | C2 | C7 | 179.6° | 157.4° |
| O38 | S1 | C2 | C3 | 1.8° | 22.3° |
| S1 | N12 | C13 | HN12 | 120.0° | 180.0° |
| S1 | N12 | C13 | C24 | 119.8° | 145.0° |
| S1 | N12 | C13 | C14 | 117.2° | 95.0° |
| S1 | N12 | C13 | H13 | 2.8° | 24.9° |
| N12 | S1 | C2 | C7 | 65.7° | 90.0° |
| N12 | S1 | C2 | C3 | 113.0° | 90.3° |
| C2 | S1 | N12 | C13 | 60.8° | 65.0° |
| C2 | S1 | N12 | HN12 | 59.2° | 115.0° |
| S1 | C2 | C7 | C3 | 178.7° | 179.7° |
| S1 | C2 | C7 | C6 | 178.8° | 180.0° |
| S1 | C2 | C7 | H7 | 1.2° | 0.1° |
| S1 | C2 | C3 | C4 | 178.9° | 179.7° |
| S1 | C2 | C3 | H3 | 1.1° | 0.1° |
| N12 | C13 | C24 | C14 | 128.4° | 120.0° |
| N12 | C13 | C24 | H13 | 116.4° | 120.1° |
| N12 | C13 | C14 | H13 | 115.5° | 120.0° |
| N12 | C13 | C24 | N26 | 149.5° | 156.7° |
| N12 | C13 | C24 | O25 | 30.9° | 23.4° |
| N12 | C13 | C14 | C15 | 74.4° | 58.8° |
| N12 | C13 | C14 | H141 | 45.6° | 61.3° |
| N12 | C13 | C14 | H142 | 169.1° | 178.8° |
| HN12 | N12 | C13 | C24 | 0.2° | 35.0° |
| HN12 | N12 | C13 | C14 | 122.8° | 85.0° |
| HN12 | N12 | C13 | H13 | 122.8° | 155.0° |
| C24 | C13 | C14 | H13 | 122.4° | 120.0° |
| C13 | C24 | N26 | O25 | 179.6° | 179.9° |
| C13 | C24 | N26 | C31 | 178.3° | 3.3° |
| C13 | C24 | N26 | C27 | 0.7° | 176.6° |
| C24 | C13 | C14 | C15 | 47.8° | 178.7° |
| C24 | C13 | C14 | H141 | 167.8° | 58.7° |
| C24 | C13 | C14 | H142 | 68.7° | 61.2° |
| C14 | C13 | C24 | N26 | 82.1° | 83.3° |
| C14 | C13 | C24 | O25 | 97.5° | 96.6° |
| C13 | C14 | C15 | H141 | 120.0° | 120.0° |
| C13 | C14 | C15 | H142 | 116.5° | 120.0° |
| C13 | C14 | H141 | H142 | 116.9° | 119.9° |
| C13 | C14 | C15 | C20 | 89.3° | 90.2° |
| C13 | C14 | C15 | C16 | 90.6° | 90.0° |
| H13 | C13 | C24 | N26 | 33.1° | 36.6° |
| H13 | C13 | C24 | O25 | 147.3° | 143.4° |
| H13 | C13 | C14 | C15 | 170.2° | 61.2° |
| H13 | C13 | C14 | H141 | 69.9° | 178.7° |
| H13 | C13 | C14 | H142 | 53.7° | 58.8° |
| C24 | N26 | C31 | C27 | 179.1° | 180.0° |
| C24 | N26 | C31 | C30 | 130.5° | 126.4° |
| C24 | N26 | C31 | H311 | 10.4° | 113.8° |
| C24 | N26 | C31 | H312 | 110.3° | 6.6° |
| C24 | N26 | C27 | C28 | 131.9° | 126.4° |
| C24 | N26 | C27 | H271 | 108.0° | 113.8° |
| C24 | N26 | C27 | H272 | 12.2° | 6.5° |
| O25 | C24 | N26 | C31 | 1.3° | 176.6° |
| O25 | C24 | N26 | C27 | 179.7° | 3.4° |
| N26 | C31 | C30 | H311 | 120.0° | 119.8° |
| N26 | C31 | C30 | H312 | 119.2° | 119.8° |
| N26 | C31 | H311 | H312 | 119.2° | 120.4° |
| N26 | C31 | C30 | C29 | 5.1° | 54.7° |
| N26 | C31 | C30 | H301 | 114.9° | 174.6° |
| N26 | C31 | C30 | H302 | 123.6° | 65.3° |
| C31 | N26 | C27 | C28 | 49.0° | 53.6° |
| C31 | N26 | C27 | H271 | 71.0° | 66.2° |
| C31 | N26 | C27 | H272 | 168.7° | 173.4° |
| C27 | N26 | C31 | C30 | 50.5° | 53.6° |
| C27 | N26 | C31 | H311 | 170.5° | 66.2° |
| C27 | N26 | C31 | H312 | 68.7° | 173.4° |
| N26 | C27 | C28 | C29 | 6.3° | 54.6° |
| N26 | C27 | C28 | H271 | 120.0° | 119.7° |
| N26 | C27 | C28 | H272 | 119.7° | 119.8° |
| N26 | C27 | C28 | H281 | 126.3° | 65.3° |
| N26 | C27 | C28 | H282 | 112.5° | 174.6° |
| N26 | C27 | H271 | H272 | 119.7° | 120.3° |
| C30 | C31 | H311 | H312 | 119.3° | 120.3° |
| C31 | C30 | C29 | H301 | 120.0° | 119.9° |
| C31 | C30 | C29 | H302 | 118.5° | 120.0° |
| C31 | C30 | H301 | H302 | 118.6° | 120.1° |
| C31 | C30 | C29 | C32 | 178.7° | 178.6° |
| C31 | C30 | C29 | C28 | 55.2° | 61.4° |
| C31 | C30 | C29 | H29 | 62.5° | 58.6° |
| H311 | C31 | C30 | C29 | 114.9° | 65.2° |
| H311 | C31 | C30 | H301 | 125.1° | 54.7° |
| H311 | C31 | C30 | H302 | 3.6° | 174.8° |
| H312 | C31 | C30 | C29 | 124.3° | 174.5° |
| H312 | C31 | C30 | H301 | 4.3° | 65.6° |
| H312 | C31 | C30 | H302 | 117.2° | 54.5° |
| C29 | C30 | H301 | H302 | 118.6° | 120.1° |
| C30 | C29 | C32 | C28 | 122.9° | 120.1° |
| C30 | C29 | C32 | H29 | 119.8° | 120.0° |
| C30 | C29 | C28 | H29 | 120.0° | 120.1° |
| C30 | C29 | C32 | C33 | 106.4° | 175.0° |
| C30 | C29 | C32 | H321 | 133.7° | 55.0° |
| C30 | C29 | C32 | H322 | 8.6° | 65.0° |
| C30 | C29 | C28 | C27 | 55.8° | 61.4° |
| C30 | C29 | C28 | H281 | 175.7° | 58.6° |
| C30 | C29 | C28 | H282 | 63.1° | 178.7° |
| H301 | C30 | C29 | C32 | 61.3° | 58.7° |
| H301 | C30 | C29 | C28 | 64.8° | 178.7° |
| H301 | C30 | C29 | H29 | 177.4° | 61.3° |
| H302 | C30 | C29 | C32 | 60.2° | 61.4° |
| H302 | C30 | C29 | C28 | 173.7° | 58.6° |
| H302 | C30 | C29 | H29 | 56.0° | 178.6° |
| C32 | C29 | C28 | H29 | 115.9° | 119.9° |
| C29 | C32 | C33 | H321 | 120.0° | 120.0° |
| C29 | C32 | C33 | H322 | 114.9° | 120.0° |
| C29 | C32 | H321 | H322 | 115.7° | 119.9° |
| C29 | C32 | C33 | N34 | 178.2° | 180.0° |
| C29 | C32 | C33 | H331 | 58.2° | 60.0° |
| C29 | C32 | C33 | H332 | 62.3° | 60.0° |
| C32 | C29 | C28 | C27 | 179.8° | 178.6° |
| C32 | C29 | C28 | H281 | 60.2° | 61.5° |
| C32 | C29 | C28 | H282 | 61.0° | 58.6° |
| C28 | C29 | C32 | C33 | 16.6° | 64.9° |
| C28 | C29 | C32 | H321 | 103.4° | 175.0° |
| C28 | C29 | C32 | H322 | 131.5° | 55.1° |
| C29 | C28 | C27 | H281 | 120.0° | 120.0° |
| C29 | C28 | C27 | H282 | 118.8° | 119.9° |
| C29 | C28 | H281 | H282 | 118.9° | 120.1° |
| C29 | C28 | C27 | H271 | 126.3° | 65.1° |
| C29 | C28 | C27 | H272 | 113.4° | 174.4° |
| H29 | C29 | C32 | C33 | 133.8° | 55.0° |
| H29 | C29 | C32 | H321 | 13.8° | 65.1° |
| H29 | C29 | C32 | H322 | 111.2° | 175.0° |
| H29 | C29 | C28 | C27 | 64.3° | 58.7° |
| H29 | C29 | C28 | H281 | 55.7° | 178.6° |
| H29 | C29 | C28 | H282 | 176.9° | 61.3° |
| C33 | C32 | H321 | H322 | 115.7° | 120.0° |
| C32 | C33 | N34 | H331 | 120.0° | 120.0° |
| C32 | C33 | N34 | H332 | 119.5° | 120.0° |
| C32 | C33 | H331 | H332 | 119.5° | 120.0° |
| C32 | C33 | N34 | C35 | 179.9° | 180.0° |
| C32 | C33 | N34 | HN34 | 0.1° | 0.0° |
| H321 | C32 | C33 | N34 | 61.8° | 60.0° |
| H321 | C32 | C33 | H331 | 178.2° | 180.0° |
| H321 | C32 | C33 | H332 | 57.7° | 60.0° |
| H322 | C32 | C33 | N34 | 63.3° | 60.0° |
| H322 | C32 | C33 | H331 | 56.7° | 60.0° |
| H322 | C32 | C33 | H332 | 177.2° | 180.0° |
| N34 | C33 | H331 | H332 | 119.5° | 120.0° |
| C33 | N34 | C35 | HN34 | 180.0° | 180.0° |
| C33 | N34 | C35 | N37 | 179.4° | 0.0° |
| C33 | N34 | C35 | N36 | 0.7° | 180.0° |
| H331 | C33 | N34 | C35 | 60.1° | 60.0° |
| H331 | C33 | N34 | HN34 | 119.9° | 120.0° |
| H332 | C33 | N34 | C35 | 60.4° | 60.0° |
| H332 | C33 | N34 | HN34 | 119.6° | 120.0° |
| N34 | C35 | N37 | N36 | 179.9° | 180.0° |
| N34 | C35 | N37 | HN37 | 0.1° | 0.0° |
| N34 | C35 | N36 | H361 | 179.9° | 180.0° |
| N34 | C35 | N36 | H362 | 0.1° | 0.3° |
| HN34 | N34 | C35 | N37 | 0.7° | 180.0° |
| HN34 | N34 | C35 | N36 | 179.3° | 0.0° |
| N37 | C35 | N36 | H361 | 0.0° | 0.1° |
| N37 | C35 | N36 | H362 | 180.0° | 179.7° |
| N36 | C35 | N37 | HN37 | 180.0° | 180.0° |
| C35 | N36 | H361 | H362 | 180.0° | 179.7° |
| C27 | C28 | H281 | H282 | 118.9° | 120.1° |
| C28 | C27 | H271 | H272 | 119.7° | 120.4° |
| H281 | C28 | C27 | H271 | 113.7° | 174.9° |
| H281 | C28 | C27 | H272 | 6.6° | 54.5° |
| H282 | C28 | C27 | H271 | 7.5° | 54.8° |
| H282 | C28 | C27 | H272 | 127.7° | 65.6° |
| C15 | C14 | H141 | H142 | 116.9° | 120.0° |
| C14 | C15 | C20 | C16 | 179.9° | 179.8° |
| C14 | C15 | C20 | C19 | 179.9° | 179.7° |
| C14 | C15 | C20 | H20 | 0.2° | 0.2° |
| C14 | C15 | C16 | C17 | 179.7° | 180.0° |
| C14 | C15 | C16 | H16 | 0.3° | 0.0° |
| H141 | C14 | C15 | C20 | 30.7° | 149.7° |
| H141 | C14 | C15 | C16 | 149.4° | 30.0° |
| H142 | C14 | C15 | C20 | 154.2° | 29.8° |
| H142 | C14 | C15 | C16 | 25.9° | 150.0° |
| C15 | C20 | C19 | H20 | 180.0° | 179.4° |
| C15 | C20 | C19 | C21 | 179.6° | 179.7° |
| C15 | C20 | C19 | C18 | 0.2° | 0.6° |
| C20 | C15 | C16 | C17 | 0.2° | 0.3° |
| C20 | C15 | C16 | H16 | 179.8° | 179.7° |
| C16 | C15 | C20 | C19 | 0.0° | 0.6° |
| C16 | C15 | C20 | H20 | 179.9° | 180.0° |
| C15 | C16 | C17 | C18 | 0.2° | 0.1° |
| C15 | C16 | C17 | H16 | 180.0° | 180.0° |
| C15 | C16 | C17 | H17 | 179.9° | 180.0° |
| C20 | C19 | C21 | C18 | 179.8° | 179.7° |
| C20 | C19 | C21 | N23 | 8.9° | 179.8° |
| C20 | C19 | C21 | N22 | 171.0° | 0.4° |
| C20 | C19 | C18 | C17 | 0.2° | 0.3° |
| C20 | C19 | C18 | H18 | 179.8° | 179.7° |
| H20 | C20 | C19 | C21 | 0.3° | 0.3° |
| H20 | C20 | C19 | C18 | 179.9° | 180.0° |
| C19 | C21 | N23 | N22 | 179.9° | 179.9° |
| C19 | C21 | N23 | HN23 | 0.0° | 180.0° |
| C19 | C21 | N22 | H221 | 180.0° | 30.4° |
| C19 | C21 | N22 | H222 | 0.0° | 180.0° |
| C21 | C19 | C18 | C17 | 179.6° | 179.9° |
| C21 | C19 | C18 | H18 | 0.4° | 0.0° |
| C18 | C19 | C21 | N23 | 171.3° | 0.1° |
| C18 | C19 | C21 | N22 | 8.8° | 180.0° |
| C19 | C18 | C17 | H18 | 180.0° | 180.0° |
| C19 | C18 | C17 | C16 | 0.0° | 0.1° |
| C19 | C18 | C17 | H17 | 179.9° | 179.9° |
| N23 | C21 | N22 | H221 | 0.1° | 149.5° |
| N23 | C21 | N22 | H222 | 179.9° | 0.1° |
| N22 | C21 | N23 | HN23 | 180.0° | 0.1° |
| C21 | N22 | H221 | H222 | 180.0° | 142.2° |
| C18 | C17 | C16 | H17 | 180.0° | 179.9° |
| C18 | C17 | C16 | H16 | 179.8° | 179.9° |
| H18 | C18 | C17 | C16 | 179.9° | 179.9° |
| H18 | C18 | C17 | H17 | 0.1° | 0.1° |
| H17 | C17 | C16 | H16 | 0.1° | 0.0° |
| C2 | C7 | C6 | H7 | 180.0° | 179.9° |
| C2 | C7 | C6 | C5 | 0.2° | 0.1° |
| C2 | C7 | C6 | H6 | 179.8° | 180.0° |
| C7 | C2 | C3 | C4 | 0.2° | 0.6° |
| C7 | C2 | C3 | H3 | 179.8° | 179.7° |
| C3 | C2 | C7 | C6 | 0.2° | 0.3° |
| C3 | C2 | C7 | H7 | 179.8° | 179.8° |
| C2 | C3 | C4 | C5 | 0.2° | 0.5° |
| C2 | C3 | C4 | C8 | 180.0° | 179.7° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C7 | C6 | C5 | H6 | 180.0° | 180.0° |
| C7 | C6 | C5 | C11 | 179.8° | 179.9° |
| C7 | C6 | C5 | C4 | 0.2° | 0.0° |
| H7 | C7 | C6 | C5 | 179.8° | 180.0° |
| H7 | C7 | C6 | H6 | 0.2° | 0.1° |
| C6 | C5 | C11 | C4 | 180.0° | 180.0° |
| C6 | C5 | C11 | C10 | 179.9° | 180.0° |
| C6 | C5 | C11 | H11 | 0.1° | 0.1° |
| C6 | C5 | C4 | C8 | 180.0° | 180.0° |
| C6 | C5 | C4 | C3 | 0.2° | 0.3° |
| H6 | C6 | C5 | C11 | 0.2° | 0.0° |
| H6 | C6 | C5 | C4 | 179.8° | 180.0° |
| C5 | C11 | C10 | H11 | 180.0° | 179.9° |
| C5 | C11 | C10 | C9 | 0.2° | 0.0° |
| C5 | C11 | C10 | H10 | 179.8° | 180.0° |
| C11 | C5 | C4 | C8 | 0.0° | 0.0° |
| C11 | C5 | C4 | C3 | 179.8° | 179.7° |
| C4 | C5 | C11 | C10 | 0.1° | 0.0° |
| C4 | C5 | C11 | H11 | 179.9° | 179.9° |
| C5 | C4 | C8 | C9 | 0.0° | 0.0° |
| C5 | C4 | C8 | C3 | 179.8° | 179.7° |
| C5 | C4 | C8 | H8 | 180.0° | 180.0° |
| C5 | C4 | C3 | H3 | 179.8° | 179.7° |
| C11 | C10 | C9 | H10 | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.2° | 0.0° |
| C11 | C10 | C9 | H9 | 179.8° | 180.0° |
| H11 | C11 | C10 | C9 | 179.8° | 179.9° |
| H11 | C11 | C10 | H10 | 0.2° | 0.1° |
| C10 | C9 | C8 | H9 | 180.0° | 180.0° |
| C10 | C9 | C8 | C4 | 0.1° | 0.0° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| H10 | C10 | C9 | C8 | 179.8° | 180.0° |
| H10 | C10 | C9 | H9 | 0.2° | 0.0° |
| C9 | C8 | C4 | H8 | 180.0° | 180.0° |
| C9 | C8 | C4 | C3 | 179.8° | 179.7° |
| H9 | C9 | C8 | C4 | 179.8° | 180.0° |
| H9 | C9 | C8 | H8 | 0.1° | 0.0° |
| C8 | C4 | C3 | H3 | 0.0° | 0.0° |
| H8 | C8 | C4 | C3 | 0.2° | 0.3° |
