165
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N19 | C23 | sing | 1.47Å | 1.46Å | |
| N19 | C20 | sing | 1.47Å | 1.48Å | |
| N19 | C18 | sing | 1.35Å | 1.52Å | |
| C23 | C22 | sing | 1.54Å | 1.57Å | |
| C23 | C24 | sing | 1.51Å | 1.53Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C22 | C21 | sing | 1.55Å | 1.50Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C21 | C20 | sing | 1.55Å | 1.51Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C24 | O39 | doub | 1.21Å | 1.25Å | |
| C24 | N25 | sing | 1.35Å | 1.48Å | |
| N25 | C26 | sing | 1.40Å | 1.50Å | |
| N25 | H25 | sing | 0.97Å | 1.00Å | |
| C26 | C31 | doub | 1.38Å | 1.56Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.65Å | Aromatic |
| C31 | C30 | sing | 1.39Å | 1.52Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C30 | S34 | sing | 1.76Å | 1.72Å | Aromatic |
| C30 | C29 | doub | 1.40Å | 1.39Å | Aromatic |
| S34 | C33 | sing | 1.76Å | 1.82Å | Aromatic |
| C33 | N35 | sing | 1.38Å | 1.37Å | |
| C33 | N32 | doub | 1.29Å | 1.30Å | Aromatic |
| N35 | H351 | sing | 0.97Å | 1.00Å | |
| N35 | H352 | sing | 0.97Å | 1.00Å | |
| N32 | C29 | sing | 1.35Å | 1.49Å | Aromatic |
| C29 | C28 | sing | 1.41Å | 1.53Å | Aromatic |
| C28 | C27 | doub | 1.36Å | 1.65Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | O38 | doub | 1.21Å | 1.27Å | |
| C18 | C10 | sing | 1.51Å | 1.60Å | |
| C10 | N9 | sing | 1.47Å | 1.61Å | |
| C10 | C11 | sing | 1.53Å | 1.59Å | |
| C10 | H10 | sing | 1.09Å | 1.10Å | |
| N9 | S8 | sing | 1.66Å | 1.71Å | |
| N9 | HN9 | sing | 0.97Å | 1.00Å | |
| S8 | O36 | doub | 1.42Å | 1.41Å | |
| S8 | O37 | doub | 1.42Å | 1.43Å | |
| S8 | C7 | sing | 1.81Å | 1.89Å | |
| C7 | C5 | sing | 1.51Å | 1.55Å | |
| C7 | H71 | sing | 1.09Å | 1.10Å | |
| C7 | H72 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.38Å | 1.50Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.47Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.47Å | Aromatic |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C1 | C2 | sing | 1.38Å | 1.50Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C3 | doub | 1.38Å | 1.48Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C3 | C4 | sing | 1.38Å | 1.51Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C11 | C12 | sing | 1.53Å | 1.71Å | |
| C11 | H111 | sing | 1.09Å | 1.10Å | |
| C11 | H112 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | sing | 1.53Å | 1.68Å | |
| C12 | C17 | sing | 1.53Å | 1.57Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.53Å | 1.62Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | sing | 1.53Å | 1.60Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | C16 | sing | 1.53Å | 1.59Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | sing | 1.53Å | 1.60Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | N19 | C20 | 118.4° | 108.8° |
| C23 | N19 | C18 | 121.7° | 125.6° |
| N19 | C23 | C22 | 92.0° | 107.2° |
| N19 | C23 | C24 | 117.7° | 109.9° |
| N19 | C23 | H23 | 115.0° | 109.9° |
| C20 | N19 | C18 | 119.8° | 125.6° |
| N19 | C20 | C21 | 91.6° | 104.8° |
| N19 | C20 | H201 | 115.9° | 110.4° |
| N19 | C20 | H202 | 115.9° | 110.4° |
| N19 | C18 | O38 | 119.7° | 120.0° |
| N19 | C18 | C10 | 118.5° | 120.0° |
| C22 | C23 | C24 | 107.5° | 109.9° |
| C22 | C23 | H23 | 124.2° | 109.9° |
| C23 | C22 | C21 | 102.8° | 102.9° |
| C23 | C22 | H221 | 111.8° | 110.7° |
| C23 | C22 | H222 | 111.7° | 110.6° |
| C24 | C23 | H23 | 101.5° | 110.0° |
| C23 | C24 | O39 | 117.3° | 120.0° |
| C23 | C24 | N25 | 117.3° | 120.0° |
| C21 | C22 | H221 | 111.8° | 110.8° |
| C21 | C22 | H222 | 111.8° | 110.7° |
| C22 | C21 | C20 | 96.1° | 101.6° |
| C22 | C21 | H211 | 114.2° | 111.0° |
| C22 | C21 | H212 | 114.2° | 111.0° |
| H221 | C22 | H222 | 107.1° | 110.8° |
| C20 | C21 | H211 | 114.2° | 111.0° |
| C20 | C21 | H212 | 114.2° | 111.0° |
| C21 | C20 | H201 | 115.9° | 110.4° |
| C21 | C20 | H202 | 115.9° | 110.4° |
| H211 | C21 | H212 | 104.4° | 110.9° |
| H201 | C20 | H202 | 102.3° | 110.5° |
| O39 | C24 | N25 | 125.4° | 120.0° |
| C24 | N25 | C26 | 119.2° | 120.0° |
| C24 | N25 | H25 | 120.4° | 120.0° |
| C26 | N25 | H25 | 120.4° | 120.0° |
| N25 | C26 | C31 | 105.6° | 120.0° |
| N25 | C26 | C27 | 108.2° | 120.1° |
| C31 | C26 | C27 | 115.4° | 119.9° |
| C26 | C31 | C30 | 116.1° | 120.0° |
| C26 | C31 | H31 | 122.0° | 120.0° |
| C26 | C27 | C28 | 117.4° | 120.7° |
| C26 | C27 | H27 | 121.3° | 119.7° |
| C30 | C31 | H31 | 121.9° | 120.0° |
| C31 | C30 | S34 | 118.9° | 131.2° |
| C31 | C30 | C29 | 126.6° | 120.4° |
| S34 | C30 | C29 | 114.5° | 108.4° |
| C30 | S34 | C33 | 89.6° | 90.5° |
| C30 | C29 | N32 | 109.5° | 112.9° |
| C30 | C29 | C28 | 124.8° | 118.4° |
| S34 | C33 | N35 | 120.9° | 124.8° |
| S34 | C33 | N32 | 112.1° | 110.4° |
| N35 | C33 | N32 | 127.0° | 124.8° |
| C33 | N35 | H351 | 109.5° | 120.0° |
| C33 | N35 | H352 | 109.5° | 120.0° |
| C33 | N32 | C29 | 114.3° | 117.9° |
| H351 | N35 | H352 | 109.4° | 120.0° |
| N32 | C29 | C28 | 125.7° | 128.7° |
| C29 | C28 | C27 | 112.9° | 120.7° |
| C29 | C28 | H28 | 123.6° | 119.7° |
| C27 | C28 | H28 | 123.5° | 119.7° |
| C28 | C27 | H27 | 121.3° | 119.6° |
| O38 | C18 | C10 | 121.8° | 120.0° |
| C18 | C10 | N9 | 97.8° | 109.5° |
| C18 | C10 | C11 | 111.3° | 109.5° |
| C18 | C10 | H10 | 117.4° | 109.4° |
| N9 | C10 | C11 | 114.1° | 109.5° |
| N9 | C10 | H10 | 114.8° | 109.5° |
| C10 | N9 | S8 | 127.0° | 120.0° |
| C10 | N9 | HN9 | 104.0° | 120.0° |
| C11 | C10 | H10 | 102.1° | 109.5° |
| C10 | C11 | C12 | 93.4° | 109.5° |
| C10 | C11 | H111 | 115.3° | 109.4° |
| C10 | C11 | H112 | 115.2° | 109.5° |
| S8 | N9 | HN9 | 104.0° | 120.0° |
| N9 | S8 | O36 | 128.9° | 104.3° |
| N9 | S8 | O37 | 109.8° | 104.2° |
| N9 | S8 | C7 | 75.9° | 104.4° |
| O36 | S8 | O37 | 117.9° | 121.1° |
| O36 | S8 | C7 | 86.3° | 110.6° |
| O37 | S8 | C7 | 90.2° | 110.5° |
| S8 | C7 | C5 | 117.5° | 109.5° |
| S8 | C7 | H71 | 106.9° | 109.5° |
| S8 | C7 | H72 | 106.9° | 109.5° |
| C5 | C7 | H71 | 106.9° | 109.5° |
| C5 | C7 | H72 | 106.9° | 109.4° |
| C7 | C5 | C6 | 116.1° | 120.0° |
| C7 | C5 | C4 | 123.5° | 120.0° |
| H71 | C7 | H72 | 111.9° | 109.5° |
| C6 | C5 | C4 | 120.4° | 120.0° |
| C5 | C6 | C1 | 120.4° | 120.0° |
| C5 | C6 | H6 | 119.8° | 120.0° |
| C5 | C4 | C3 | 119.1° | 120.0° |
| C5 | C4 | H4 | 120.5° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.0° |
| C6 | C1 | C2 | 119.9° | 120.0° |
| C6 | C1 | H1 | 120.1° | 120.0° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | C3 | 119.9° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.3° | 120.0° |
| C2 | C3 | H3 | 119.8° | 120.0° |
| C4 | C3 | H3 | 119.9° | 120.0° |
| C3 | C4 | H4 | 120.4° | 120.0° |
| C12 | C11 | H111 | 115.2° | 109.5° |
| C12 | C11 | H112 | 115.2° | 109.5° |
| C11 | C12 | C13 | 115.2° | 109.5° |
| C11 | C12 | C17 | 115.0° | 109.5° |
| C11 | C12 | H12 | 100.3° | 109.4° |
| H111 | C11 | H112 | 103.2° | 109.4° |
| C13 | C12 | C17 | 107.1° | 109.5° |
| C13 | C12 | H12 | 109.4° | 109.5° |
| C12 | C13 | C14 | 114.1° | 109.5° |
| C12 | C13 | H131 | 107.9° | 109.5° |
| C12 | C13 | H132 | 107.9° | 109.5° |
| C17 | C12 | H12 | 109.6° | 109.5° |
| C12 | C17 | C16 | 113.5° | 109.5° |
| C12 | C17 | H171 | 108.1° | 109.4° |
| C12 | C17 | H172 | 108.1° | 109.5° |
| C14 | C13 | H131 | 108.0° | 109.5° |
| C14 | C13 | H132 | 108.0° | 109.5° |
| C13 | C14 | C15 | 113.5° | 109.5° |
| C13 | C14 | H141 | 108.2° | 109.5° |
| C13 | C14 | H142 | 108.2° | 109.5° |
| H131 | C13 | H132 | 110.9° | 109.5° |
| C15 | C14 | H141 | 108.1° | 109.5° |
| C15 | C14 | H142 | 108.1° | 109.4° |
| C14 | C15 | C16 | 114.0° | 109.5° |
| C14 | C15 | H151 | 108.0° | 109.4° |
| C14 | C15 | H152 | 108.0° | 109.5° |
| H141 | C14 | H142 | 110.7° | 109.4° |
| C16 | C15 | H151 | 108.0° | 109.5° |
| C16 | C15 | H152 | 108.0° | 109.5° |
| C15 | C16 | C17 | 111.9° | 109.5° |
| C15 | C16 | H161 | 108.6° | 109.5° |
| C15 | C16 | H162 | 108.7° | 109.5° |
| H151 | C15 | H152 | 110.9° | 109.5° |
| C17 | C16 | H161 | 108.7° | 109.5° |
| C17 | C16 | H162 | 108.7° | 109.5° |
| C16 | C17 | H171 | 108.2° | 109.5° |
| C16 | C17 | H172 | 108.2° | 109.5° |
| H161 | C16 | H162 | 110.3° | 109.4° |
| H171 | C17 | H172 | 110.7° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | N19 | C20 | C18 | 175.9° | 179.7° |
| N19 | C23 | C22 | C24 | 119.9° | 119.4° |
| N19 | C23 | C22 | H23 | 122.3° | 119.4° |
| N19 | C23 | C24 | H23 | 126.4° | 121.2° |
| N19 | C23 | C22 | C21 | 35.1° | 22.1° |
| N19 | C23 | C22 | H221 | 84.9° | 140.6° |
| N19 | C23 | C22 | H222 | 155.1° | 96.2° |
| C23 | N19 | C20 | C21 | 37.1° | 24.1° |
| C23 | N19 | C20 | H201 | 157.1° | 94.7° |
| C23 | N19 | C20 | H202 | 82.9° | 143.0° |
| N19 | C23 | C24 | O39 | 145.6° | 0.1° |
| N19 | C23 | C24 | N25 | 35.2° | 180.0° |
| C23 | N19 | C18 | O38 | 0.6° | 0.0° |
| C23 | N19 | C18 | C10 | 176.8° | 180.0° |
| C20 | N19 | C23 | C22 | 2.0° | 1.1° |
| C20 | N19 | C23 | C24 | 108.9° | 120.5° |
| C20 | N19 | C23 | H23 | 131.6° | 118.3° |
| N19 | C20 | C21 | C22 | 54.3° | 37.0° |
| N19 | C20 | C21 | H201 | 120.0° | 118.8° |
| N19 | C20 | C21 | H202 | 120.0° | 118.8° |
| N19 | C20 | C21 | H211 | 174.3° | 81.1° |
| N19 | C20 | C21 | H212 | 65.7° | 155.1° |
| N19 | C20 | H201 | H202 | 127.1° | 122.3° |
| C20 | N19 | C18 | O38 | 175.1° | 179.7° |
| C20 | N19 | C18 | C10 | 1.0° | 0.3° |
| C18 | N19 | C23 | C22 | 173.8° | 179.2° |
| C18 | N19 | C23 | C24 | 75.3° | 59.8° |
| C18 | N19 | C23 | H23 | 44.2° | 61.4° |
| C18 | N19 | C20 | C21 | 138.8° | 156.2° |
| C18 | N19 | C20 | H201 | 18.8° | 85.0° |
| C18 | N19 | C20 | H202 | 101.2° | 37.3° |
| N19 | C18 | O38 | C10 | 176.0° | 180.0° |
| N19 | C18 | C10 | N9 | 78.2° | 180.0° |
| N19 | C18 | C10 | C11 | 162.1° | 60.0° |
| N19 | C18 | C10 | H10 | 45.0° | 60.0° |
| C22 | C23 | C24 | H23 | 131.7° | 121.1° |
| C23 | C22 | C21 | H221 | 120.0° | 118.4° |
| C23 | C22 | C21 | H222 | 120.0° | 118.3° |
| C23 | C22 | H221 | H222 | 122.7° | 123.2° |
| C23 | C22 | C21 | C20 | 60.8° | 35.5° |
| C23 | C22 | C21 | H211 | 179.2° | 82.6° |
| C23 | C22 | C21 | H212 | 59.2° | 153.6° |
| C22 | C23 | C24 | O39 | 43.7° | 117.8° |
| C22 | C23 | C24 | N25 | 137.1° | 62.2° |
| C24 | C23 | C22 | C21 | 155.0° | 97.2° |
| C24 | C23 | C22 | H221 | 35.0° | 21.2° |
| C24 | C23 | C22 | H222 | 85.0° | 144.4° |
| C23 | C24 | O39 | N25 | 179.1° | 180.0° |
| C23 | C24 | N25 | C26 | 178.4° | 174.9° |
| C23 | C24 | N25 | H25 | 1.5° | 5.1° |
| H23 | C23 | C22 | C21 | 87.2° | 141.6° |
| H23 | C23 | C22 | H221 | 152.8° | 100.0° |
| H23 | C23 | C22 | H222 | 32.8° | 23.2° |
| H23 | C23 | C24 | O39 | 88.0° | 121.1° |
| H23 | C23 | C24 | N25 | 91.2° | 58.9° |
| C21 | C22 | H221 | H222 | 122.7° | 123.3° |
| C22 | C21 | C20 | H211 | 120.0° | 118.1° |
| C22 | C21 | C20 | H212 | 120.0° | 118.1° |
| C22 | C21 | H211 | H212 | 125.4° | 123.8° |
| C22 | C21 | C20 | H201 | 174.3° | 81.8° |
| C22 | C21 | C20 | H202 | 65.7° | 155.8° |
| H221 | C22 | C21 | C20 | 59.2° | 153.9° |
| H221 | C22 | C21 | H211 | 60.8° | 35.8° |
| H221 | C22 | C21 | H212 | 179.2° | 88.1° |
| H222 | C22 | C21 | C20 | 179.3° | 82.8° |
| H222 | C22 | C21 | H211 | 59.2° | 159.1° |
| H222 | C22 | C21 | H212 | 60.7° | 35.3° |
| C20 | C21 | H211 | H212 | 125.4° | 123.9° |
| C21 | C20 | H201 | H202 | 127.1° | 122.3° |
| H211 | C21 | C20 | H201 | 65.7° | 160.1° |
| H211 | C21 | C20 | H202 | 54.3° | 37.7° |
| H212 | C21 | C20 | H201 | 54.3° | 36.3° |
| H212 | C21 | C20 | H202 | 174.3° | 86.1° |
| O39 | C24 | N25 | C26 | 0.7° | 5.1° |
| O39 | C24 | N25 | H25 | 179.3° | 174.9° |
| C24 | N25 | C26 | H25 | 180.0° | 180.0° |
| C24 | N25 | C26 | C31 | 84.0° | 33.3° |
| C24 | N25 | C26 | C27 | 151.9° | 146.4° |
| N25 | C26 | C31 | C27 | 119.5° | 179.7° |
| N25 | C26 | C31 | C30 | 98.1° | 180.0° |
| N25 | C26 | C31 | H31 | 81.9° | 0.0° |
| N25 | C26 | C27 | C28 | 86.9° | 179.7° |
| N25 | C26 | C27 | H27 | 93.1° | 0.0° |
| H25 | N25 | C26 | C31 | 96.0° | 146.7° |
| H25 | N25 | C26 | C27 | 28.1° | 33.7° |
| C26 | C31 | C30 | H31 | 180.0° | 180.0° |
| C26 | C31 | C30 | S34 | 172.9° | 180.0° |
| C26 | C31 | C30 | C29 | 5.7° | 0.0° |
| C31 | C26 | C27 | C28 | 31.1° | 0.6° |
| C31 | C26 | C27 | H27 | 148.9° | 179.7° |
| C27 | C26 | C31 | C30 | 21.4° | 0.3° |
| C27 | C26 | C31 | H31 | 158.6° | 179.7° |
| C26 | C27 | C28 | C29 | 23.9° | 0.5° |
| C26 | C27 | C28 | H27 | 180.0° | 179.7° |
| C26 | C27 | C28 | H28 | 156.1° | 179.7° |
| C31 | C30 | S34 | C29 | 178.8° | 180.0° |
| C31 | C30 | S34 | C33 | 178.8° | 180.0° |
| C31 | C30 | C29 | N32 | 179.0° | 180.0° |
| C31 | C30 | C29 | C28 | 1.4° | 0.0° |
| H31 | C31 | C30 | S34 | 7.0° | 0.0° |
| H31 | C31 | C30 | C29 | 174.3° | 180.0° |
| C30 | S34 | C33 | N35 | 179.4° | 180.0° |
| C30 | S34 | C33 | N32 | 0.4° | 0.0° |
| S34 | C30 | C29 | N32 | 0.4° | 0.0° |
| S34 | C30 | C29 | C28 | 179.9° | 180.0° |
| C29 | C30 | S34 | C33 | 0.0° | 0.0° |
| C30 | C29 | N32 | C33 | 0.7° | 0.0° |
| C30 | C29 | N32 | C28 | 179.5° | 180.0° |
| C30 | C29 | C28 | C27 | 8.0° | 0.2° |
| C30 | C29 | C28 | H28 | 172.0° | 180.0° |
| S34 | C33 | N35 | N32 | 179.7° | 180.0° |
| S34 | C33 | N35 | H351 | 0.0° | 0.0° |
| S34 | C33 | N35 | H352 | 120.0° | 180.0° |
| S34 | C33 | N32 | C29 | 0.7° | 0.0° |
| C33 | N35 | H351 | H352 | 120.0° | 180.0° |
| N35 | C33 | N32 | C29 | 179.1° | 180.0° |
| N32 | C33 | N35 | H351 | 179.7° | 179.9° |
| N32 | C33 | N35 | H352 | 60.3° | 0.0° |
| C33 | N32 | C29 | C28 | 179.8° | 180.0° |
| N32 | C29 | C28 | C27 | 171.4° | 179.8° |
| N32 | C29 | C28 | H28 | 8.6° | 0.0° |
| C29 | C28 | C27 | H28 | 180.0° | 179.8° |
| C29 | C28 | C27 | H27 | 156.1° | 179.8° |
| H28 | C28 | C27 | H27 | 23.9° | 0.0° |
| O38 | C18 | C10 | N9 | 105.7° | 0.0° |
| O38 | C18 | C10 | C11 | 14.0° | 120.0° |
| O38 | C18 | C10 | H10 | 131.1° | 120.0° |
| C18 | C10 | N9 | C11 | 117.6° | 120.0° |
| C18 | C10 | N9 | H10 | 125.1° | 119.9° |
| C18 | C10 | C11 | H10 | 126.1° | 120.0° |
| C18 | C10 | N9 | S8 | 76.0° | 94.4° |
| C18 | C10 | N9 | HN9 | 44.0° | 85.6° |
| C18 | C10 | C11 | C12 | 80.4° | 174.9° |
| C18 | C10 | C11 | H111 | 39.6° | 54.9° |
| C18 | C10 | C11 | H112 | 159.6° | 65.1° |
| N9 | C10 | C11 | H10 | 124.4° | 120.1° |
| C10 | N9 | S8 | HN9 | 120.0° | 180.0° |
| C10 | N9 | S8 | O36 | 29.2° | 178.6° |
| C10 | N9 | S8 | O37 | 172.5° | 50.7° |
| C10 | N9 | S8 | C7 | 102.5° | 65.3° |
| N9 | C10 | C11 | C12 | 170.1° | 65.2° |
| N9 | C10 | C11 | H111 | 70.0° | 174.9° |
| N9 | C10 | C11 | H112 | 50.1° | 54.9° |
| C11 | C10 | N9 | S8 | 41.6° | 145.7° |
| C11 | C10 | N9 | HN9 | 161.6° | 34.3° |
| C10 | C11 | C12 | H111 | 120.0° | 119.9° |
| C10 | C11 | C12 | H112 | 120.0° | 120.1° |
| C10 | C11 | H111 | H112 | 126.4° | 120.0° |
| C10 | C11 | C12 | C13 | 65.0° | 173.7° |
| C10 | C11 | C12 | C17 | 169.7° | 66.3° |
| C10 | C11 | C12 | H12 | 52.3° | 53.7° |
| H10 | C10 | N9 | S8 | 158.9° | 25.6° |
| H10 | C10 | N9 | HN9 | 81.1° | 154.4° |
| H10 | C10 | C11 | C12 | 45.6° | 54.9° |
| H10 | C10 | C11 | H111 | 165.6° | 65.0° |
| H10 | C10 | C11 | H112 | 74.4° | 175.0° |
| N9 | S8 | O36 | O37 | 156.8° | 116.7° |
| N9 | S8 | O36 | C7 | 68.6° | 111.7° |
| N9 | S8 | O37 | C7 | 75.1° | 111.7° |
| N9 | S8 | C7 | C5 | 172.0° | 176.8° |
| N9 | S8 | C7 | H71 | 68.0° | 56.8° |
| N9 | S8 | C7 | H72 | 52.0° | 63.2° |
| HN9 | N9 | S8 | O36 | 149.2° | 1.4° |
| HN9 | N9 | S8 | O37 | 52.5° | 129.3° |
| HN9 | N9 | S8 | C7 | 137.6° | 114.7° |
| O36 | S8 | O37 | C7 | 85.9° | 131.6° |
| O36 | S8 | C7 | C5 | 40.3° | 71.5° |
| O36 | S8 | C7 | H71 | 160.3° | 168.5° |
| O36 | S8 | C7 | H72 | 79.7° | 48.4° |
| O37 | S8 | C7 | C5 | 77.6° | 65.3° |
| O37 | S8 | C7 | H71 | 42.4° | 54.8° |
| O37 | S8 | C7 | H72 | 162.4° | 174.8° |
| S8 | C7 | C5 | H71 | 120.0° | 120.0° |
| S8 | C7 | C5 | H72 | 120.0° | 120.0° |
| S8 | C7 | H71 | H72 | 116.7° | 120.0° |
| S8 | C7 | C5 | C6 | 112.6° | 94.9° |
| S8 | C7 | C5 | C4 | 66.0° | 85.4° |
| C5 | C7 | H71 | H72 | 116.7° | 120.0° |
| C7 | C5 | C6 | C4 | 178.6° | 179.7° |
| C7 | C5 | C6 | C1 | 178.3° | 180.0° |
| C7 | C5 | C6 | H6 | 1.7° | 0.0° |
| C7 | C5 | C4 | C3 | 178.2° | 179.8° |
| C7 | C5 | C4 | H4 | 1.8° | 0.0° |
| H71 | C7 | C5 | C6 | 127.4° | 25.2° |
| H71 | C7 | C5 | C4 | 54.0° | 154.5° |
| H72 | C7 | C5 | C6 | 7.4° | 145.2° |
| H72 | C7 | C5 | C4 | 174.0° | 34.5° |
| C5 | C6 | C1 | H6 | 180.0° | 180.0° |
| C5 | C6 | C1 | C2 | 0.1° | 0.0° |
| C5 | C6 | C1 | H1 | 179.8° | 180.0° |
| C6 | C5 | C4 | C3 | 0.3° | 0.5° |
| C6 | C5 | C4 | H4 | 179.7° | 179.7° |
| C4 | C5 | C6 | C1 | 0.3° | 0.3° |
| C4 | C5 | C6 | H6 | 179.7° | 179.7° |
| C5 | C4 | C3 | C2 | 0.1° | 0.4° |
| C5 | C4 | C3 | H4 | 180.0° | 179.8° |
| C5 | C4 | C3 | H3 | 179.9° | 179.7° |
| C6 | C1 | C2 | H1 | 180.0° | 180.0° |
| C6 | C1 | C2 | C3 | 0.5° | NaN° |
| C6 | C1 | C2 | H2 | 179.4° | 179.9° |
| H6 | C6 | C1 | C2 | 179.9° | 180.0° |
| H6 | C6 | C1 | H1 | 0.2° | 0.0° |
| C1 | C2 | C3 | H2 | 180.0° | 179.9° |
| C1 | C2 | C3 | C4 | 0.5° | 0.2° |
| C1 | C2 | C3 | H3 | 179.5° | 180.0° |
| H1 | C1 | C2 | C3 | 179.4° | 180.0° |
| H1 | C1 | C2 | H2 | 0.6° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.8° |
| C2 | C3 | C4 | H4 | 179.9° | 179.7° |
| H2 | C2 | C3 | C4 | 179.4° | 179.9° |
| H2 | C2 | C3 | H3 | 0.6° | 0.1° |
| H3 | C3 | C4 | H4 | 0.1° | 0.1° |
| C12 | C11 | H111 | H112 | 126.4° | 120.0° |
| C11 | C12 | C13 | C17 | 129.3° | 120.0° |
| C11 | C12 | C13 | H12 | 112.1° | 120.0° |
| C11 | C12 | C17 | H12 | 112.1° | 120.0° |
| C11 | C12 | C13 | C14 | 178.3° | 180.0° |
| C11 | C12 | C13 | H131 | 61.7° | 60.1° |
| C11 | C12 | C13 | H132 | 58.3° | 60.0° |
| C11 | C12 | C17 | C16 | 171.6° | 180.0° |
| C11 | C12 | C17 | H171 | 51.6° | 60.0° |
| C11 | C12 | C17 | H172 | 68.4° | 60.0° |
| H111 | C11 | C12 | C13 | 175.0° | 66.4° |
| H111 | C11 | C12 | C17 | 49.7° | 53.6° |
| H111 | C11 | C12 | H12 | 67.7° | 173.6° |
| H112 | C11 | C12 | C13 | 55.0° | 53.6° |
| H112 | C11 | C12 | C17 | 70.3° | 173.6° |
| H112 | C11 | C12 | H12 | 172.3° | 66.4° |
| C13 | C12 | C17 | H12 | 118.5° | 120.0° |
| C12 | C13 | C14 | H131 | 120.0° | 120.0° |
| C12 | C13 | C14 | H132 | 120.0° | 120.0° |
| C12 | C13 | H131 | H132 | 118.1° | 120.0° |
| C12 | C13 | C14 | C15 | 45.7° | 60.0° |
| C12 | C13 | C14 | H141 | 165.7° | 180.0° |
| C12 | C13 | C14 | H142 | 74.3° | 60.0° |
| C13 | C12 | C17 | C16 | 59.0° | 60.0° |
| C13 | C12 | C17 | H171 | 179.0° | 180.0° |
| C13 | C12 | C17 | H172 | 61.0° | 60.0° |
| C17 | C12 | C13 | C14 | 52.4° | 60.0° |
| C17 | C12 | C13 | H131 | 67.6° | 60.0° |
| C17 | C12 | C13 | H132 | 172.4° | 180.0° |
| C12 | C17 | C16 | C15 | 59.5° | 60.0° |
| C12 | C17 | C16 | H171 | 120.0° | 120.0° |
| C12 | C17 | C16 | H172 | 120.0° | 120.1° |
| C12 | C17 | C16 | H161 | 179.4° | 179.9° |
| C12 | C17 | C16 | H162 | 60.5° | 60.0° |
| C12 | C17 | H171 | H172 | 118.3° | 120.0° |
| H12 | C12 | C13 | C14 | 66.2° | 60.0° |
| H12 | C12 | C13 | H131 | 173.8° | 180.0° |
| H12 | C12 | C13 | H132 | 53.8° | 60.0° |
| H12 | C12 | C17 | C16 | 59.5° | 60.0° |
| H12 | C12 | C17 | H171 | 60.5° | 60.0° |
| H12 | C12 | C17 | H172 | 179.6° | 179.9° |
| C14 | C13 | H131 | H132 | 118.1° | 120.0° |
| C13 | C14 | C15 | H141 | 120.0° | 120.1° |
| C13 | C14 | C15 | H142 | 120.0° | 120.0° |
| C13 | C14 | H141 | H142 | 118.4° | 120.0° |
| C13 | C14 | C15 | C16 | 43.5° | 60.0° |
| C13 | C14 | C15 | H151 | 76.6° | 60.0° |
| C13 | C14 | C15 | H152 | 163.5° | 180.0° |
| H131 | C13 | C14 | C15 | 74.3° | 60.0° |
| H131 | C13 | C14 | H141 | 45.7° | 60.0° |
| H131 | C13 | C14 | H142 | 165.7° | 180.0° |
| H132 | C13 | C14 | C15 | 165.7° | 180.0° |
| H132 | C13 | C14 | H141 | 74.3° | 60.0° |
| H132 | C13 | C14 | H142 | 45.7° | 60.0° |
| C15 | C14 | H141 | H142 | 118.3° | 119.9° |
| C14 | C15 | C16 | H151 | 120.0° | 120.0° |
| C14 | C15 | C16 | H152 | 120.0° | 120.0° |
| C14 | C15 | H151 | H152 | 118.1° | 120.0° |
| C14 | C15 | C16 | C17 | 49.0° | 60.0° |
| C14 | C15 | C16 | H161 | 169.0° | 180.0° |
| C14 | C15 | C16 | H162 | 71.0° | 60.0° |
| H141 | C14 | C15 | C16 | 163.5° | 180.0° |
| H141 | C14 | C15 | H151 | 43.5° | 60.0° |
| H141 | C14 | C15 | H152 | 76.5° | 59.9° |
| H142 | C14 | C15 | C16 | 76.6° | 60.1° |
| H142 | C14 | C15 | H151 | 163.4° | 179.9° |
| H142 | C14 | C15 | H152 | 43.4° | 60.0° |
| C16 | C15 | H151 | H152 | 118.2° | 120.0° |
| C15 | C16 | C17 | H161 | 120.0° | 120.1° |
| C15 | C16 | C17 | H162 | 120.0° | 120.0° |
| C15 | C16 | H161 | H162 | 119.0° | 120.0° |
| C15 | C16 | C17 | H171 | 179.5° | 180.0° |
| C15 | C16 | C17 | H172 | 60.5° | 60.0° |
| H151 | C15 | C16 | C17 | 71.0° | 60.0° |
| H151 | C15 | C16 | H161 | 49.0° | 60.0° |
| H151 | C15 | C16 | H162 | 169.0° | NaN° |
| H152 | C15 | C16 | C17 | 169.0° | 180.0° |
| H152 | C15 | C16 | H161 | 71.0° | 60.0° |
| H152 | C15 | C16 | H162 | 49.0° | 60.0° |
| C17 | C16 | H161 | H162 | 119.0° | 120.0° |
| C16 | C17 | H171 | H172 | 118.4° | 120.0° |
| H161 | C16 | C17 | H171 | 60.6° | 60.0° |
| H161 | C16 | C17 | H172 | 59.4° | 60.0° |
| H162 | C16 | C17 | H171 | 59.4° | 60.0° |
| H162 | C16 | C17 | H172 | 179.4° | 179.9° |
