PDS
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O14 | C6 | doub | 1.22Å | 1.24Å | |
| C6 | C2 | sing | 1.49Å | 1.44Å | |
| C6 | N13 | sing | 1.36Å | 1.44Å | |
| N13 | C12 | sing | 1.36Å | 1.44Å | |
| N13 | HN13 | sing | 1.01Å | 1.00Å | |
| C12 | C5 | sing | 1.49Å | 1.41Å | |
| C12 | O20 | doub | 1.22Å | 1.21Å | |
| C2 | C1 | sing | 1.43Å | 1.54Å | |
| C2 | C5 | doub | 1.35Å | 1.41Å | |
| C5 | C11 | sing | 1.43Å | 1.54Å | |
| C11 | C18 | sing | 1.42Å | 1.44Å | Aromatic |
| C11 | C19 | doub | 1.38Å | 1.43Å | Aromatic |
| C18 | C24 | doub | 1.41Å | 1.45Å | Aromatic |
| C18 | C23 | sing | 1.40Å | 1.47Å | Aromatic |
| C24 | C29 | sing | 1.40Å | 1.43Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C29 | C31 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.08Å | |
| C31 | C28 | sing | 1.40Å | 1.42Å | Aromatic |
| C31 | H31 | sing | 1.09Å | 1.08Å | |
| C28 | C23 | doub | 1.40Å | 1.44Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | N25 | sing | 1.38Å | 1.37Å | Aromatic |
| N25 | C19 | sing | 1.37Å | 1.36Å | Aromatic |
| N25 | HN25 | sing | 1.01Å | 1.00Å | |
| C19 | C26 | sing | 1.48Å | 1.47Å | |
| C26 | H261 | sing | 1.10Å | 1.10Å | |
| C26 | H262 | sing | 1.10Å | 1.10Å | |
| C26 | H263 | sing | 1.10Å | 1.10Å | |
| C1 | C3 | sing | 1.42Å | 1.41Å | Aromatic |
| C1 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C3 | C7 | doub | 1.40Å | 1.47Å | Aromatic |
| C3 | C8 | sing | 1.41Å | 1.44Å | Aromatic |
| C8 | C16 | doub | 1.40Å | 1.45Å | Aromatic |
| C8 | H8 | sing | 1.09Å | 1.08Å | |
| C16 | C21 | sing | 1.39Å | 1.44Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.08Å | |
| C7 | C15 | sing | 1.40Å | 1.44Å | Aromatic |
| C7 | N9 | sing | 1.38Å | 1.35Å | Aromatic |
| C15 | C21 | doub | 1.40Å | 1.43Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.08Å | |
| N9 | C17 | sing | 1.45Å | 1.48Å | |
| N9 | C4 | sing | 1.37Å | 1.38Å | Aromatic |
| C4 | C10 | sing | 1.48Å | 1.46Å | |
| C10 | H101 | sing | 1.10Å | 1.10Å | |
| C10 | H102 | sing | 1.10Å | 1.10Å | |
| C10 | H103 | sing | 1.10Å | 1.10Å | |
| C17 | C22 | sing | 1.53Å | 1.56Å | |
| C17 | H171 | sing | 1.10Å | 1.10Å | |
| C17 | H172 | sing | 1.10Å | 1.10Å | |
| C22 | C27 | sing | 1.52Å | 1.54Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C27 | N30 | sing | 1.44Å | 1.48Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| N30 | C33 | sing | 1.47Å | 1.48Å | |
| N30 | C32 | sing | 1.47Å | 1.48Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C32 | H323 | sing | 1.09Å | 1.10Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| C33 | H333 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O14 | C6 | C2 | 128.9° | 125.6° |
| O14 | C6 | N13 | 130.0° | 128.1° |
| C2 | C6 | N13 | 101.1° | 106.3° |
| C6 | C2 | C1 | 122.8° | 122.6° |
| C6 | C2 | C5 | 110.7° | 107.8° |
| C6 | N13 | C12 | 114.8° | 111.6° |
| C6 | N13 | HN13 | 122.6° | 124.2° |
| C12 | N13 | HN13 | 122.6° | 124.2° |
| N13 | C12 | C5 | 102.1° | 106.4° |
| N13 | C12 | O20 | 128.5° | 128.0° |
| C5 | C12 | O20 | 129.5° | 125.6° |
| C12 | C5 | C2 | 111.3° | 107.8° |
| C12 | C5 | C11 | 124.0° | 122.6° |
| C1 | C2 | C5 | 126.5° | 129.5° |
| C2 | C1 | C3 | 127.2° | 127.6° |
| C2 | C1 | C4 | 127.2° | 125.0° |
| C2 | C5 | C11 | 124.7° | 129.6° |
| C5 | C11 | C18 | 126.2° | 127.5° |
| C5 | C11 | C19 | 127.8° | 124.8° |
| C18 | C11 | C19 | 105.9° | 107.7° |
| C11 | C18 | C24 | 137.2° | 134.1° |
| C11 | C18 | C23 | 105.5° | 107.1° |
| C11 | C19 | N25 | 110.5° | 107.9° |
| C11 | C19 | C26 | 130.7° | 131.4° |
| C24 | C18 | C23 | 117.3° | 118.8° |
| C18 | C24 | C29 | 121.5° | 119.2° |
| C18 | C24 | H24 | 119.3° | 121.0° |
| C18 | C23 | C28 | 120.9° | 122.7° |
| C18 | C23 | N25 | 108.5° | 107.1° |
| C29 | C24 | H24 | 119.3° | 119.8° |
| C24 | C29 | C31 | 119.5° | 120.8° |
| C24 | C29 | H29 | 120.2° | 119.5° |
| C31 | C29 | H29 | 120.3° | 119.7° |
| C29 | C31 | C28 | 121.7° | 121.0° |
| C29 | C31 | H31 | 119.2° | 119.6° |
| C28 | C31 | H31 | 119.2° | 119.4° |
| C31 | C28 | C23 | 119.2° | 117.5° |
| C31 | C28 | H28 | 120.4° | 121.0° |
| C23 | C28 | H28 | 120.4° | 121.5° |
| C28 | C23 | N25 | 130.6° | 130.2° |
| C23 | N25 | C19 | 109.5° | 110.2° |
| C23 | N25 | HN25 | 125.3° | 124.7° |
| C19 | N25 | HN25 | 125.3° | 125.1° |
| N25 | C19 | C26 | 118.7° | 120.7° |
| C19 | C26 | H261 | 109.5° | 111.1° |
| C19 | C26 | H262 | 109.5° | 112.0° |
| C19 | C26 | H263 | 109.4° | 112.0° |
| H261 | C26 | H262 | 109.4° | 107.7° |
| H261 | C26 | H263 | 109.5° | 107.7° |
| H262 | C26 | H263 | 109.5° | 106.1° |
| C3 | C1 | C4 | 105.7° | 107.4° |
| C1 | C3 | C7 | 106.4° | 107.2° |
| C1 | C3 | C8 | 135.3° | 134.0° |
| C1 | C4 | N9 | 110.6° | 108.0° |
| C1 | C4 | C10 | 129.4° | 130.3° |
| C7 | C3 | C8 | 118.3° | 118.7° |
| C3 | C7 | C15 | 121.6° | 122.7° |
| C3 | C7 | N9 | 109.4° | 107.1° |
| C3 | C8 | C16 | 120.4° | 119.2° |
| C3 | C8 | H8 | 119.8° | 121.0° |
| C16 | C8 | H8 | 119.8° | 119.8° |
| C8 | C16 | C21 | 120.0° | 120.8° |
| C8 | C16 | H16 | 120.0° | 119.5° |
| C21 | C16 | H16 | 120.0° | 119.8° |
| C16 | C21 | C15 | 121.2° | 121.1° |
| C16 | C21 | H21 | 119.4° | 119.6° |
| C15 | C7 | N9 | 129.0° | 130.3° |
| C7 | C15 | C21 | 118.6° | 117.5° |
| C7 | C15 | H15 | 120.7° | 121.7° |
| C7 | N9 | C17 | 122.7° | 124.8° |
| C7 | N9 | C4 | 107.9° | 110.2° |
| C21 | C15 | H15 | 120.7° | 120.8° |
| C15 | C21 | H21 | 119.4° | 119.3° |
| C17 | N9 | C4 | 129.3° | 125.0° |
| N9 | C17 | C22 | 110.9° | 112.0° |
| N9 | C17 | H171 | 109.0° | 107.5° |
| N9 | C17 | H172 | 108.7° | 107.6° |
| N9 | C4 | C10 | 120.0° | 121.6° |
| C4 | C10 | H101 | 109.5° | 110.9° |
| C4 | C10 | H102 | 109.5° | 111.8° |
| C4 | C10 | H103 | 109.4° | 111.8° |
| H101 | C10 | H102 | 109.5° | 107.9° |
| H101 | C10 | H103 | 109.5° | 108.0° |
| H102 | C10 | H103 | 109.5° | 106.3° |
| C22 | C17 | H171 | 109.0° | 111.4° |
| C22 | C17 | H172 | 108.6° | 110.9° |
| C17 | C22 | C27 | 111.4° | 112.4° |
| C17 | C22 | H221 | 108.8° | 109.8° |
| C17 | C22 | H222 | 108.4° | 109.4° |
| H171 | C17 | H172 | 110.6° | 107.1° |
| C27 | C22 | H221 | 108.8° | 109.8° |
| C27 | C22 | H222 | 108.4° | 108.6° |
| C22 | C27 | N30 | 117.6° | 112.4° |
| C22 | C27 | H271 | 106.9° | 111.3° |
| C22 | C27 | H272 | 104.9° | 110.0° |
| H221 | C22 | H222 | 111.0° | 106.6° |
| N30 | C27 | H271 | 106.8° | 107.9° |
| N30 | C27 | H272 | 104.9° | 107.0° |
| C27 | N30 | C33 | 115.8° | 111.4° |
| C27 | N30 | C32 | 107.7° | 111.4° |
| H271 | C27 | H272 | 116.1° | 108.1° |
| C33 | N30 | C32 | 107.4° | 109.4° |
| N30 | C33 | H331 | 109.5° | 110.1° |
| N30 | C33 | H332 | 109.4° | 110.2° |
| N30 | C33 | H333 | 109.5° | 110.2° |
| N30 | C32 | H321 | 109.5° | 110.0° |
| N30 | C32 | H322 | 109.5° | 110.2° |
| N30 | C32 | H323 | 109.4° | 110.2° |
| H321 | C32 | H322 | 109.5° | 108.8° |
| H321 | C32 | H323 | 109.5° | 108.8° |
| H322 | C32 | H323 | 109.5° | 108.7° |
| H331 | C33 | H332 | 109.5° | 108.8° |
| H331 | C33 | H333 | 109.4° | 108.8° |
| H332 | C33 | H333 | 109.5° | 108.7° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O14 | C6 | C2 | N13 | 179.2° | 179.5° |
| O14 | C6 | N13 | C12 | 179.8° | 179.3° |
| O14 | C6 | N13 | HN13 | 0.2° | 0.6° |
| O14 | C6 | C2 | C1 | 0.3° | 0.2° |
| O14 | C6 | C2 | C5 | 179.3° | 179.1° |
| C2 | C6 | N13 | C12 | 1.0° | 0.2° |
| C2 | C6 | N13 | HN13 | 179.0° | 179.9° |
| C6 | C2 | C5 | C12 | 1.6° | 0.3° |
| C6 | C2 | C1 | C5 | 179.5° | 178.7° |
| C6 | C2 | C5 | C11 | 179.7° | 179.3° |
| C6 | C2 | C1 | C3 | 49.7° | 88.7° |
| C6 | C2 | C1 | C4 | 130.3° | 91.2° |
| C6 | N13 | C12 | HN13 | 180.0° | 179.9° |
| C6 | N13 | C12 | C5 | 0.1° | 0.0° |
| C6 | N13 | C12 | O20 | 179.7° | 179.4° |
| N13 | C6 | C2 | C1 | 179.0° | 179.3° |
| N13 | C6 | C2 | C5 | 1.5° | 0.3° |
| N13 | C12 | C5 | O20 | 179.8° | 179.5° |
| N13 | C12 | C5 | C2 | 0.9° | 0.2° |
| N13 | C12 | C5 | C11 | 179.6° | 179.3° |
| HN13 | N13 | C12 | C5 | 179.9° | 179.9° |
| HN13 | N13 | C12 | O20 | 0.3° | 0.7° |
| C12 | C5 | C2 | C1 | 178.9° | 179.2° |
| C12 | C5 | C2 | C11 | 178.7° | 178.9° |
| C12 | C5 | C11 | C18 | 143.5° | 88.8° |
| C12 | C5 | C11 | C19 | 38.3° | 91.1° |
| O20 | C12 | C5 | C2 | 179.3° | 179.2° |
| O20 | C12 | C5 | C11 | 0.6° | 0.2° |
| C1 | C2 | C5 | C11 | 0.2° | 1.9° |
| C2 | C1 | C3 | C4 | 180.0° | 180.0° |
| C2 | C1 | C3 | C7 | 179.1° | 179.9° |
| C2 | C1 | C3 | C8 | 0.2° | 0.1° |
| C2 | C1 | C4 | N9 | 178.9° | 180.0° |
| C2 | C1 | C4 | C10 | 0.5° | 0.0° |
| C2 | C5 | C11 | C18 | 38.0° | 90.0° |
| C2 | C5 | C11 | C19 | 140.2° | 90.1° |
| C5 | C2 | C1 | C3 | 129.8° | 90.0° |
| C5 | C2 | C1 | C4 | 50.2° | 90.1° |
| C5 | C11 | C18 | C19 | 178.5° | 180.0° |
| C5 | C11 | C18 | C24 | 0.4° | 0.0° |
| C5 | C11 | C18 | C23 | 178.3° | 180.0° |
| C5 | C11 | C19 | N25 | 178.2° | 180.0° |
| C5 | C11 | C19 | C26 | 2.0° | 0.0° |
| C11 | C18 | C24 | C23 | 178.6° | 180.0° |
| C11 | C18 | C24 | C29 | 179.2° | 180.0° |
| C11 | C18 | C24 | H24 | 0.8° | 0.0° |
| C11 | C18 | C23 | C28 | 179.6° | 180.0° |
| C11 | C18 | C23 | N25 | 0.0° | 0.0° |
| C18 | C11 | C19 | N25 | 0.2° | 0.1° |
| C18 | C11 | C19 | C26 | 179.6° | 180.0° |
| C19 | C11 | C18 | C24 | 178.9° | 180.0° |
| C19 | C11 | C18 | C23 | 0.2° | 0.0° |
| C11 | C19 | N25 | C23 | 0.2° | 0.1° |
| C11 | C19 | N25 | C26 | 179.8° | 180.0° |
| C11 | C19 | N25 | HN25 | 179.8° | 179.9° |
| C11 | C19 | C26 | H261 | 84.9° | 76.0° |
| C11 | C19 | C26 | H262 | 155.1° | 44.5° |
| C11 | C19 | C26 | H263 | 35.1° | 163.5° |
| C18 | C24 | C29 | H24 | 180.0° | 180.0° |
| C18 | C24 | C29 | C31 | 0.1° | 0.0° |
| C18 | C24 | C29 | H29 | 179.8° | 180.0° |
| C24 | C18 | C23 | C28 | 0.6° | 0.0° |
| C24 | C18 | C23 | N25 | 179.1° | 180.0° |
| C23 | C18 | C24 | C29 | 0.6° | 0.0° |
| C23 | C18 | C24 | H24 | 179.4° | 180.0° |
| C18 | C23 | C28 | C31 | 0.0° | 0.0° |
| C18 | C23 | C28 | N25 | 179.5° | 180.0° |
| C18 | C23 | C28 | H28 | 179.9° | 179.9° |
| C18 | C23 | N25 | C19 | 0.1° | 0.1° |
| C18 | C23 | N25 | HN25 | 179.9° | 179.9° |
| C24 | C29 | C31 | H29 | 180.0° | 180.0° |
| C24 | C29 | C31 | C28 | 0.4° | 0.0° |
| C24 | C29 | C31 | H31 | 179.6° | 180.0° |
| H24 | C24 | C29 | C31 | 179.9° | 180.0° |
| H24 | C24 | C29 | H29 | 0.2° | 0.0° |
| C29 | C31 | C28 | H31 | 180.0° | 180.0° |
| C29 | C31 | C28 | C23 | 0.5° | 0.0° |
| C29 | C31 | C28 | H28 | 179.6° | 180.0° |
| H29 | C29 | C31 | C28 | 179.6° | 180.0° |
| H29 | C29 | C31 | H31 | 0.4° | 0.0° |
| C31 | C28 | C23 | H28 | 180.0° | 180.0° |
| C31 | C28 | C23 | N25 | 179.5° | 180.0° |
| H31 | C31 | C28 | C23 | 179.6° | 180.0° |
| H31 | C31 | C28 | H28 | 0.4° | 0.0° |
| C28 | C23 | N25 | C19 | 179.7° | 180.0° |
| C28 | C23 | N25 | HN25 | 0.3° | 0.1° |
| H28 | C28 | C23 | N25 | 0.6° | 0.1° |
| C23 | N25 | C19 | HN25 | 180.0° | 179.8° |
| C23 | N25 | C19 | C26 | 179.6° | 180.0° |
| N25 | C19 | C26 | H261 | 95.3° | 104.0° |
| N25 | C19 | C26 | H262 | 24.6° | 135.5° |
| N25 | C19 | C26 | H263 | 144.6° | 16.5° |
| HN25 | N25 | C19 | C26 | 0.4° | 0.1° |
| C19 | C26 | H261 | H262 | 120.0° | 123.0° |
| C19 | C26 | H261 | H263 | 120.0° | 123.0° |
| C19 | C26 | H262 | H263 | 120.0° | 122.4° |
| H261 | C26 | H262 | H263 | 120.0° | 115.1° |
| C1 | C3 | C7 | C8 | 179.1° | 180.0° |
| C1 | C3 | C8 | C16 | 179.1° | 180.0° |
| C1 | C3 | C8 | H8 | 0.9° | 0.0° |
| C1 | C3 | C7 | C15 | 179.5° | 180.0° |
| C1 | C3 | C7 | N9 | 0.4° | 0.1° |
| C3 | C1 | C4 | N9 | 1.1° | 0.0° |
| C3 | C1 | C4 | C10 | 179.5° | 179.9° |
| C4 | C1 | C3 | C7 | 0.9° | 0.0° |
| C4 | C1 | C3 | C8 | 179.8° | 180.0° |
| C1 | C4 | N9 | C7 | 0.9° | 0.0° |
| C1 | C4 | N9 | C17 | 180.0° | 180.0° |
| C1 | C4 | N9 | C10 | 179.4° | 179.9° |
| C1 | C4 | C10 | H101 | 148.5° | 69.0° |
| C1 | C4 | C10 | H102 | 28.5° | 51.4° |
| C1 | C4 | C10 | H103 | 91.5° | 170.4° |
| C7 | C3 | C8 | C16 | 0.3° | 0.0° |
| C7 | C3 | C8 | H8 | 179.7° | 180.0° |
| C3 | C7 | C15 | N9 | 179.9° | 179.9° |
| C3 | C7 | C15 | C21 | 0.3° | 0.0° |
| C3 | C7 | C15 | H15 | 179.7° | 180.0° |
| C3 | C7 | N9 | C17 | 179.5° | 180.0° |
| C3 | C7 | N9 | C4 | 0.3° | 0.1° |
| C3 | C8 | C16 | H8 | 180.0° | 179.9° |
| C3 | C8 | C16 | C21 | 0.1° | 0.0° |
| C3 | C8 | C16 | H16 | 179.9° | 179.9° |
| C8 | C3 | C7 | C15 | 0.4° | 0.0° |
| C8 | C3 | C7 | N9 | 179.5° | 180.0° |
| C8 | C16 | C21 | H16 | 180.0° | 180.0° |
| C8 | C16 | C21 | C15 | 0.1° | 0.0° |
| C8 | C16 | C21 | H21 | 179.9° | 180.0° |
| H8 | C8 | C16 | C21 | 179.9° | 180.0° |
| H8 | C8 | C16 | H16 | 0.1° | 0.0° |
| C16 | C21 | C15 | C7 | 0.0° | 0.0° |
| C16 | C21 | C15 | H21 | 180.0° | 180.0° |
| C16 | C21 | C15 | H15 | 180.0° | 180.0° |
| H16 | C16 | C21 | C15 | 179.9° | 179.9° |
| H16 | C16 | C21 | H21 | 0.1° | 0.0° |
| C7 | C15 | C21 | H15 | 180.0° | 180.0° |
| C7 | C15 | C21 | H21 | 180.0° | 180.0° |
| C15 | C7 | N9 | C17 | 0.6° | 0.1° |
| C15 | C7 | N9 | C4 | 179.8° | 180.0° |
| N9 | C7 | C15 | C21 | 179.7° | 179.9° |
| N9 | C7 | C15 | H15 | 0.3° | 0.0° |
| C7 | N9 | C17 | C4 | 179.0° | 179.9° |
| C7 | N9 | C4 | C10 | 179.7° | 179.9° |
| C7 | N9 | C17 | C22 | 95.3° | 90.0° |
| C7 | N9 | C17 | H171 | 24.8° | 32.7° |
| C7 | N9 | C17 | H172 | 145.4° | 147.8° |
| H15 | C15 | C21 | H21 | 0.0° | 0.0° |
| C17 | N9 | C4 | C10 | 0.6° | 0.0° |
| N9 | C17 | C22 | H171 | 120.0° | 120.4° |
| N9 | C17 | C22 | H172 | 119.4° | 120.3° |
| N9 | C17 | H171 | H172 | 119.4° | 115.4° |
| N9 | C17 | C22 | C27 | 156.4° | 179.6° |
| N9 | C17 | C22 | H221 | 36.4° | 57.8° |
| N9 | C17 | C22 | H222 | 84.5° | 58.9° |
| N9 | C4 | C10 | H101 | 30.8° | 111.0° |
| N9 | C4 | C10 | H102 | 150.8° | 128.6° |
| N9 | C4 | C10 | H103 | 89.2° | 9.5° |
| C4 | N9 | C17 | C22 | 85.7° | 89.9° |
| C4 | N9 | C17 | H171 | 154.3° | 147.3° |
| C4 | N9 | C17 | H172 | 33.6° | 32.3° |
| C4 | C10 | H101 | H102 | 120.0° | 122.7° |
| C4 | C10 | H101 | H103 | 120.0° | 122.8° |
| C4 | C10 | H102 | H103 | 120.0° | 122.3° |
| H101 | C10 | H102 | H103 | 120.0° | 115.6° |
| C22 | C17 | H171 | H172 | 119.4° | 121.5° |
| C17 | C22 | C27 | H221 | 120.0° | 122.5° |
| C17 | C22 | C27 | H222 | 119.2° | 121.2° |
| C17 | C22 | H221 | H222 | 119.2° | 118.4° |
| C17 | C22 | C27 | N30 | 145.3° | 178.9° |
| C17 | C22 | C27 | H271 | 25.3° | 60.0° |
| C17 | C22 | C27 | H272 | 98.5° | 59.9° |
| H171 | C17 | C22 | C27 | 83.6° | 59.9° |
| H171 | C17 | C22 | H221 | 156.4° | 62.6° |
| H171 | C17 | C22 | H222 | 35.6° | 179.3° |
| H172 | C17 | C22 | C27 | 37.0° | 59.3° |
| H172 | C17 | C22 | H221 | 83.0° | 178.1° |
| H172 | C17 | C22 | H222 | 156.2° | 61.4° |
| C27 | C22 | H221 | H222 | 119.2° | 117.5° |
| C22 | C27 | N30 | H271 | 120.0° | 123.0° |
| C22 | C27 | N30 | H272 | 116.2° | 120.8° |
| C22 | C27 | H271 | H272 | 116.6° | 120.9° |
| C22 | C27 | N30 | C33 | 45.9° | 60.5° |
| C22 | C27 | N30 | C32 | 74.3° | 177.0° |
| H221 | C22 | C27 | N30 | 25.3° | 58.5° |
| H221 | C22 | C27 | H271 | 94.7° | 62.6° |
| H221 | C22 | C27 | H272 | 141.5° | 177.6° |
| H222 | C22 | C27 | N30 | 95.5° | 57.8° |
| H222 | C22 | C27 | H271 | 144.5° | 178.8° |
| H222 | C22 | C27 | H272 | 20.7° | 61.3° |
| N30 | C27 | H271 | H272 | 116.6° | 115.3° |
| C27 | N30 | C33 | C32 | 120.4° | 123.7° |
| C27 | N30 | C32 | H321 | 161.0° | 10.9° |
| C27 | N30 | C32 | H322 | 78.9° | 130.9° |
| C27 | N30 | C32 | H323 | 41.1° | 109.1° |
| C27 | N30 | C33 | H331 | 119.9° | 109.5° |
| C27 | N30 | C33 | H332 | 120.1° | 130.5° |
| C27 | N30 | C33 | H333 | 0.0° | 10.5° |
| H271 | C27 | N30 | C33 | 165.9° | 62.5° |
| H271 | C27 | N30 | C32 | 45.7° | 60.0° |
| H272 | C27 | N30 | C33 | 70.3° | 178.6° |
| H272 | C27 | N30 | C32 | 169.5° | 56.1° |
| C33 | N30 | C32 | H321 | 73.6° | 112.8° |
| C33 | N30 | C32 | H322 | 46.5° | 7.2° |
| C33 | N30 | C32 | H323 | 166.5° | 127.2° |
| N30 | C33 | H331 | H332 | 120.0° | 120.9° |
| N30 | C33 | H331 | H333 | 120.0° | 120.9° |
| N30 | C33 | H332 | H333 | 120.0° | 120.9° |
| N30 | C32 | H321 | H322 | 120.0° | 120.9° |
| N30 | C32 | H321 | H323 | 120.0° | 120.9° |
| N30 | C32 | H322 | H323 | 120.0° | 120.9° |
| C32 | N30 | C33 | H331 | 0.5° | 126.9° |
| C32 | N30 | C33 | H332 | 119.5° | 6.9° |
| C32 | N30 | C33 | H333 | 120.4° | 113.1° |
| H321 | C32 | H322 | H323 | 120.0° | 118.3° |
| H331 | C33 | H332 | H333 | 120.0° | 118.3° |
