C71
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.58Å | |
| C2 | C3 | sing | 1.53Å | 1.56Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22A | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.51Å | 1.46Å | |
| C5 | N4 | sing | 1.37Å | 1.35Å | |
| C5 | N7 | doub | 1.29Å | 1.32Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C6 | H63 | sing | 1.09Å | 1.10Å | |
| C1 | C27 | sing | 1.54Å | 1.56Å | |
| C1 | C30 | sing | 1.54Å | 1.56Å | |
| C1 | C31 | sing | 1.53Å | 1.57Å | |
| C3 | N4 | sing | 1.46Å | 1.45Å | |
| C3 | C12 | sing | 1.51Å | 1.48Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C9 | S8 | sing | 1.76Å | 1.76Å | |
| C9 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C9 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N7 | S8 | sing | 1.66Å | 1.69Å | |
| S8 | O10 | doub | 1.42Å | 1.58Å | |
| S8 | O11 | doub | 1.42Å | 1.59Å | |
| C12 | N13 | sing | 1.35Å | 1.36Å | |
| C12 | O14 | doub | 1.21Å | 1.23Å | |
| N13 | C15 | sing | 1.46Å | 1.47Å | |
| N13 | HN13 | sing | 0.97Å | 1.00Å | |
| C15 | C17 | sing | 1.53Å | 1.59Å | |
| C15 | C21 | sing | 1.53Å | 1.59Å | |
| C15 | C16 | sing | 1.53Å | 1.48Å | |
| C17 | C18 | sing | 1.53Å | 1.56Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| C18 | S19 | sing | 1.82Å | 1.80Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| S19 | C20 | sing | 1.82Å | 1.80Å | |
| S19 | O32 | doub | 1.42Å | 1.60Å | |
| S19 | O33 | doub | 1.42Å | 1.59Å | |
| C20 | C21 | sing | 1.52Å | 1.56Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C22 | C23 | doub | 1.38Å | 1.43Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C23 | C24 | sing | 1.38Å | 1.44Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C25 | doub | 1.38Å | 1.44Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.43Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C28 | sing | 1.55Å | 1.54Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.55Å | 1.54Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | sing | 1.54Å | 1.55Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C31 | H313 | sing | 1.09Å | 1.10Å | |
| N34 | C16 | sing | 1.47Å | 1.28Å | |
| N34 | H341 | sing | 1.01Å | 1.00Å | |
| N34 | H342 | sing | 1.01Å | 1.00Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | C2 | C3 | 118.3° | 109.5° |
| C1 | C2 | H21 | 106.6° | 109.5° |
| C1 | C2 | H22A | 104.6° | 109.5° |
| C2 | C1 | C27 | 113.6° | 110.0° |
| C2 | C1 | C30 | 110.1° | 110.0° |
| C2 | C1 | C31 | 110.6° | 110.0° |
| C3 | C2 | H21 | 106.6° | 109.5° |
| C3 | C2 | H22A | 104.6° | 109.5° |
| C2 | C3 | N4 | 110.9° | 109.5° |
| C2 | C3 | C12 | 110.9° | 109.4° |
| C2 | C3 | H3 | 107.5° | 109.4° |
| H21 | C2 | H22A | 116.7° | 109.4° |
| C6 | C5 | N4 | 115.6° | 120.0° |
| C6 | C5 | N7 | 123.2° | 120.0° |
| C5 | C6 | H61 | 109.5° | 109.5° |
| C5 | C6 | H62 | 109.5° | 109.5° |
| C5 | C6 | H63 | 109.5° | 109.4° |
| N4 | C5 | N7 | 121.2° | 120.0° |
| C5 | N4 | C3 | 130.5° | 120.0° |
| C5 | N4 | HN4 | 114.7° | 120.0° |
| C5 | N7 | S8 | 132.7° | 120.0° |
| H61 | C6 | H62 | 109.5° | 109.5° |
| H61 | C6 | H63 | 109.5° | 109.5° |
| H62 | C6 | H63 | 109.5° | 109.5° |
| C27 | C1 | C30 | 100.4° | 106.7° |
| C27 | C1 | C31 | 111.7° | 110.0° |
| C1 | C27 | C28 | 107.4° | 104.2° |
| C1 | C27 | H271 | 110.2° | 110.5° |
| C1 | C27 | H272 | 110.6° | 110.6° |
| C30 | C1 | C31 | 109.9° | 110.0° |
| C1 | C30 | C29 | 107.1° | 106.6° |
| C1 | C30 | H301 | 110.2° | 110.1° |
| C1 | C30 | H302 | 110.8° | 110.1° |
| C1 | C31 | H311 | 109.5° | 109.4° |
| C1 | C31 | H312 | 109.5° | 109.4° |
| C1 | C31 | H313 | 109.5° | 109.5° |
| N4 | C3 | C12 | 109.4° | 109.5° |
| N4 | C3 | H3 | 109.1° | 109.5° |
| C3 | N4 | HN4 | 114.8° | 120.1° |
| C12 | C3 | H3 | 109.1° | 109.5° |
| C3 | C12 | N13 | 118.4° | 120.0° |
| C3 | C12 | O14 | 119.8° | 120.0° |
| S8 | C9 | C22 | 120.1° | 120.0° |
| S8 | C9 | C26 | 121.1° | 120.0° |
| C9 | S8 | N7 | 96.5° | 107.4° |
| C9 | S8 | O10 | 111.1° | 105.8° |
| C9 | S8 | O11 | 114.0° | 105.7° |
| C22 | C9 | C26 | 118.8° | 120.0° |
| C9 | C22 | C23 | 120.8° | 120.0° |
| C9 | C22 | H22 | 119.6° | 120.0° |
| C9 | C26 | C25 | 120.6° | 120.0° |
| C9 | C26 | H26 | 119.7° | 120.1° |
| N7 | S8 | O10 | 109.3° | 105.8° |
| N7 | S8 | O11 | 113.3° | 105.8° |
| O10 | S8 | O11 | 111.7° | 125.4° |
| N13 | C12 | O14 | 121.8° | 120.0° |
| C12 | N13 | C15 | 133.0° | 120.0° |
| C12 | N13 | HN13 | 113.5° | 120.0° |
| C15 | N13 | HN13 | 113.5° | 120.0° |
| N13 | C15 | C17 | 111.5° | 109.3° |
| N13 | C15 | C21 | 106.9° | 109.3° |
| N13 | C15 | C16 | 110.4° | 109.3° |
| C17 | C15 | C21 | 109.6° | 110.3° |
| C17 | C15 | C16 | 110.1° | 109.3° |
| C15 | C17 | C18 | 115.4° | 110.0° |
| C15 | C17 | H171 | 107.5° | 109.3° |
| C15 | C17 | H172 | 106.1° | 109.4° |
| C21 | C15 | C16 | 108.2° | 109.3° |
| C15 | C21 | C20 | 116.0° | 110.3° |
| C15 | C21 | H211 | 107.4° | 109.1° |
| C15 | C21 | H212 | 105.8° | 109.4° |
| C15 | C16 | N34 | 123.3° | 109.5° |
| C15 | C16 | H161 | 105.1° | 109.4° |
| C15 | C16 | H162 | 101.8° | 109.5° |
| C18 | C17 | H171 | 107.5° | 109.4° |
| C18 | C17 | H172 | 106.2° | 109.4° |
| C17 | C18 | S19 | 109.6° | 109.4° |
| C17 | C18 | H181 | 109.4° | 109.5° |
| C17 | C18 | H182 | 109.4° | 109.5° |
| H171 | C17 | H172 | 114.3° | 109.3° |
| S19 | C18 | H181 | 109.5° | 109.5° |
| S19 | C18 | H182 | 109.4° | 109.5° |
| C18 | S19 | C20 | 107.0° | 99.1° |
| C18 | S19 | O32 | 109.3° | 109.0° |
| C18 | S19 | O33 | 110.0° | 109.0° |
| H181 | C18 | H182 | 109.5° | 109.5° |
| C20 | S19 | O32 | 110.3° | 109.0° |
| C20 | S19 | O33 | 109.7° | 109.1° |
| S19 | C20 | C21 | 110.3° | 109.2° |
| S19 | C20 | H201 | 109.2° | 109.5° |
| S19 | C20 | H202 | 109.0° | 109.5° |
| O32 | S19 | O33 | 110.4° | 119.6° |
| C21 | C20 | H201 | 109.2° | 109.6° |
| C21 | C20 | H202 | 109.0° | 109.6° |
| C20 | C21 | H211 | 107.3° | 109.4° |
| C20 | C21 | H212 | 105.9° | 109.4° |
| H201 | C20 | H202 | 110.1° | 109.5° |
| H211 | C21 | H212 | 114.7° | 109.3° |
| C23 | C22 | H22 | 119.6° | 120.0° |
| C22 | C23 | C24 | 120.1° | 120.0° |
| C22 | C23 | H23 | 120.0° | 120.0° |
| C24 | C23 | H23 | 119.9° | 120.0° |
| C23 | C24 | C25 | 119.7° | 120.0° |
| C23 | C24 | H24 | 120.2° | 119.9° |
| C25 | C24 | H24 | 120.2° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C24 | C25 | H25 | 120.0° | 120.0° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C25 | C26 | H26 | 119.7° | 119.9° |
| C28 | C27 | H271 | 110.2° | 110.5° |
| C28 | C27 | H272 | 110.6° | 110.5° |
| C27 | C28 | C29 | 105.9° | 102.8° |
| C27 | C28 | H281 | 110.7° | 110.7° |
| C27 | C28 | H282 | 111.5° | 110.8° |
| H271 | C27 | H272 | 107.9° | 110.5° |
| C29 | C28 | H281 | 110.7° | 110.8° |
| C29 | C28 | H282 | 111.5° | 110.7° |
| C28 | C29 | C30 | 106.5° | 104.2° |
| C28 | C29 | H291 | 110.5° | 110.5° |
| C28 | C29 | H292 | 111.1° | 110.5° |
| H281 | C28 | H282 | 106.7° | 110.8° |
| C30 | C29 | H291 | 110.5° | 110.4° |
| C30 | C29 | H292 | 111.1° | 110.5° |
| C29 | C30 | H301 | 110.3° | 110.0° |
| C29 | C30 | H302 | 110.8° | 110.0° |
| H291 | C29 | H292 | 107.2° | 110.6° |
| H301 | C30 | H302 | 107.7° | 110.1° |
| H311 | C31 | H312 | 109.5° | 109.5° |
| H311 | C31 | H313 | 109.4° | 109.5° |
| H312 | C31 | H313 | 109.5° | 109.5° |
| C16 | N34 | H341 | 109.5° | 106.7° |
| C16 | N34 | H342 | 109.4° | 106.7° |
| N34 | C16 | H161 | 105.1° | 109.5° |
| N34 | C16 | H162 | 101.8° | 109.5° |
| H341 | N34 | H342 | 109.5° | 106.7° |
| H161 | C16 | H162 | 121.2° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | C2 | C3 | H21 | 120.0° | 120.0° |
| C1 | C2 | C3 | H22A | 115.8° | 120.0° |
| C1 | C2 | H21 | H22A | 116.4° | 120.0° |
| C2 | C1 | C27 | C30 | 117.5° | 119.3° |
| C2 | C1 | C27 | C31 | 126.0° | 121.4° |
| C2 | C1 | C30 | C31 | 122.1° | 121.4° |
| C1 | C2 | C3 | N4 | 60.1° | 67.6° |
| C1 | C2 | C3 | C12 | 178.2° | 172.4° |
| C1 | C2 | C3 | H3 | 59.0° | 52.5° |
| C2 | C1 | C27 | C28 | 152.1° | 142.9° |
| C2 | C1 | C27 | H271 | 87.9° | 24.2° |
| C2 | C1 | C27 | H272 | 31.3° | 98.4° |
| C2 | C1 | C30 | C29 | 153.2° | 119.2° |
| C2 | C1 | C30 | H301 | 33.2° | 121.5° |
| C2 | C1 | C30 | H302 | 85.9° | 0.0° |
| C2 | C1 | C31 | H311 | 122.7° | 52.4° |
| C2 | C1 | C31 | H312 | 2.7° | 172.4° |
| C2 | C1 | C31 | H313 | 117.3° | 67.6° |
| C3 | C2 | H21 | H22A | 116.4° | 120.0° |
| C2 | C3 | N4 | C5 | 116.4° | 126.8° |
| C3 | C2 | C1 | C27 | 69.7° | 57.6° |
| C3 | C2 | C1 | C30 | 178.6° | 174.8° |
| C3 | C2 | C1 | C31 | 56.9° | 63.8° |
| C2 | C3 | N4 | C12 | 122.6° | 120.0° |
| C2 | C3 | N4 | H3 | 118.2° | 120.0° |
| C2 | C3 | C12 | H3 | 118.2° | 119.9° |
| C2 | C3 | N4 | HN4 | 63.6° | 53.2° |
| C2 | C3 | C12 | N13 | 89.2° | 60.0° |
| C2 | C3 | C12 | O14 | 90.8° | 120.1° |
| H21 | C2 | C1 | C27 | 50.3° | 177.6° |
| H21 | C2 | C1 | C30 | 61.4° | 65.2° |
| H21 | C2 | C1 | C31 | 176.9° | 56.2° |
| H21 | C2 | C3 | N4 | 59.9° | 52.4° |
| H21 | C2 | C3 | C12 | 61.8° | 67.6° |
| H21 | C2 | C3 | H3 | 179.0° | 172.5° |
| H22A | C2 | C1 | C27 | 174.5° | 62.5° |
| H22A | C2 | C1 | C30 | 62.7° | 54.7° |
| H22A | C2 | C1 | C31 | 59.0° | 176.1° |
| H22A | C2 | C3 | N4 | 176.0° | 172.4° |
| H22A | C2 | C3 | C12 | 62.3° | 52.4° |
| H22A | C2 | C3 | H3 | 56.8° | 67.6° |
| C6 | C5 | N4 | N7 | 179.2° | 180.0° |
| C5 | C6 | H61 | H62 | 120.0° | 120.0° |
| C5 | C6 | H61 | H63 | 120.0° | 120.0° |
| C5 | C6 | H62 | H63 | 120.0° | 120.0° |
| C6 | C5 | N4 | C3 | 165.4° | 176.8° |
| C6 | C5 | N4 | HN4 | 14.6° | 3.2° |
| C6 | C5 | N7 | S8 | 1.0° | 1.3° |
| N4 | C5 | C6 | H61 | 69.3° | 180.0° |
| N4 | C5 | C6 | H62 | 50.7° | 60.0° |
| N4 | C5 | C6 | H63 | 170.7° | 60.0° |
| C5 | N4 | C3 | HN4 | 180.0° | 180.0° |
| C5 | N4 | C3 | C12 | 121.1° | 113.2° |
| C5 | N4 | C3 | H3 | 1.9° | 6.8° |
| N4 | C5 | N7 | S8 | 178.2° | 178.8° |
| N7 | C5 | C6 | H61 | 109.9° | 0.0° |
| N7 | C5 | C6 | H62 | 130.1° | 120.0° |
| N7 | C5 | C6 | H63 | 10.1° | 120.0° |
| N7 | C5 | N4 | C3 | 13.9° | 3.2° |
| C5 | N7 | S8 | C9 | 111.1° | 177.8° |
| N7 | C5 | N4 | HN4 | 166.1° | 176.8° |
| C5 | N7 | S8 | O10 | 133.9° | 65.2° |
| C5 | N7 | S8 | O11 | 8.6° | 69.6° |
| H61 | C6 | H62 | H63 | 120.0° | 120.0° |
| C27 | C1 | C30 | C31 | 117.8° | 119.3° |
| C1 | C27 | C28 | H271 | 120.0° | 118.6° |
| C1 | C27 | C28 | H272 | 120.8° | 118.7° |
| C1 | C27 | H271 | H272 | 120.8° | 122.7° |
| C1 | C27 | C28 | C29 | 23.4° | 37.9° |
| C1 | C27 | C28 | H281 | 96.7° | 80.4° |
| C1 | C27 | C28 | H282 | 144.7° | 156.3° |
| C27 | C1 | C30 | C29 | 33.1° | 0.1° |
| C27 | C1 | C30 | H301 | 86.9° | 119.2° |
| C27 | C1 | C30 | H302 | 154.0° | 119.3° |
| C27 | C1 | C31 | H311 | 109.7° | 173.8° |
| C27 | C1 | C31 | H312 | 130.3° | 66.2° |
| C27 | C1 | C31 | H313 | 10.3° | 53.8° |
| C30 | C1 | C27 | C28 | 34.6° | 23.5° |
| C30 | C1 | C27 | H271 | 154.6° | 95.1° |
| C30 | C1 | C27 | H272 | 86.2° | 142.2° |
| C1 | C30 | C29 | C28 | 20.2° | 23.6° |
| C1 | C30 | C29 | H301 | 120.0° | 119.3° |
| C1 | C30 | C29 | H302 | 120.9° | 119.3° |
| C1 | C30 | C29 | H291 | 99.8° | 142.3° |
| C1 | C30 | C29 | H292 | 141.3° | 95.0° |
| C1 | C30 | H301 | H302 | 120.9° | 121.5° |
| C30 | C1 | C31 | H311 | 0.9° | 69.0° |
| C30 | C1 | C31 | H312 | 119.1° | 51.0° |
| C30 | C1 | C31 | H313 | 120.9° | 171.0° |
| C31 | C1 | C27 | C28 | 81.9° | 95.8° |
| C31 | C1 | C27 | H271 | 38.1° | 145.6° |
| C31 | C1 | C27 | H272 | 157.3° | 22.9° |
| C31 | C1 | C30 | C29 | 84.7° | 119.4° |
| C31 | C1 | C30 | H301 | 155.3° | 0.1° |
| C31 | C1 | C30 | H302 | 36.2° | 121.4° |
| C1 | C31 | H311 | H312 | 120.0° | 119.9° |
| C1 | C31 | H311 | H313 | 120.0° | 120.0° |
| C1 | C31 | H312 | H313 | 120.0° | 120.0° |
| N4 | C3 | C12 | H3 | 119.2° | 120.1° |
| N4 | C3 | C12 | N13 | 148.3° | 180.0° |
| N4 | C3 | C12 | O14 | 31.8° | 0.1° |
| C12 | C3 | N4 | HN4 | 58.9° | 66.8° |
| C3 | C12 | N13 | O14 | 179.9° | 179.9° |
| C3 | C12 | N13 | C15 | 179.8° | 178.4° |
| C3 | C12 | N13 | HN13 | 0.2° | 1.7° |
| H3 | C3 | N4 | HN4 | 178.1° | 173.2° |
| H3 | C3 | C12 | N13 | 29.1° | 59.9° |
| H3 | C3 | C12 | O14 | 151.0° | 120.0° |
| S8 | C9 | C22 | C26 | 177.9° | 179.7° |
| C9 | S8 | N7 | O10 | 115.0° | 112.6° |
| C9 | S8 | N7 | O11 | 119.7° | 112.6° |
| C9 | S8 | O10 | O11 | 128.5° | 123.1° |
| S8 | C9 | C22 | C23 | 178.8° | 179.8° |
| S8 | C9 | C22 | H22 | 1.2° | 0.2° |
| S8 | C9 | C26 | C25 | 178.7° | 180.0° |
| S8 | C9 | C26 | H26 | 1.3° | 0.1° |
| C22 | C9 | S8 | N7 | 85.5° | 95.4° |
| C22 | C9 | S8 | O10 | 28.1° | 152.0° |
| C22 | C9 | S8 | O11 | 155.4° | 17.2° |
| C9 | C22 | C23 | H22 | 180.0° | 179.6° |
| C9 | C22 | C23 | C24 | 1.0° | 0.4° |
| C9 | C22 | C23 | H23 | 179.1° | 179.7° |
| C22 | C9 | C26 | C25 | 0.8° | 0.3° |
| C22 | C9 | C26 | H26 | 179.2° | 179.8° |
| C26 | C9 | S8 | N7 | 96.7° | 84.9° |
| C26 | C9 | S8 | O10 | 149.7° | 27.7° |
| C26 | C9 | S8 | O11 | 22.5° | 162.5° |
| C26 | C9 | C22 | C23 | 0.9° | 0.5° |
| C26 | C9 | C22 | H22 | 179.1° | 179.9° |
| C9 | C26 | C25 | C24 | 0.9° | 0.0° |
| C9 | C26 | C25 | H26 | 180.0° | 179.9° |
| C9 | C26 | C25 | H25 | 179.2° | 179.9° |
| N7 | S8 | O10 | O11 | 126.2° | 123.2° |
| C12 | N13 | C15 | HN13 | 180.0° | 179.9° |
| C12 | N13 | C15 | C17 | 53.3° | 53.8° |
| C12 | N13 | C15 | C21 | 173.0° | 174.6° |
| C12 | N13 | C15 | C16 | 69.5° | 65.8° |
| O14 | C12 | N13 | C15 | 0.2° | 1.5° |
| O14 | C12 | N13 | HN13 | 179.8° | 178.4° |
| N13 | C15 | C17 | C21 | 118.1° | 120.2° |
| N13 | C15 | C17 | C16 | 123.0° | 119.6° |
| N13 | C15 | C21 | C16 | 118.9° | 119.6° |
| N13 | C15 | C17 | C18 | 57.3° | 52.0° |
| N13 | C15 | C17 | H171 | 62.7° | 172.1° |
| N13 | C15 | C17 | H172 | 174.6° | 68.2° |
| N13 | C15 | C21 | C20 | 61.7° | 51.8° |
| N13 | C15 | C21 | H211 | 178.3° | 68.4° |
| N13 | C15 | C21 | H212 | 55.3° | 172.1° |
| N13 | C15 | C16 | N34 | 178.7° | 62.4° |
| N13 | C15 | C16 | H161 | 61.3° | 57.6° |
| N13 | C15 | C16 | H162 | 65.8° | 177.6° |
| HN13 | N13 | C15 | C17 | 126.7° | 126.3° |
| HN13 | N13 | C15 | C21 | 7.0° | 5.5° |
| HN13 | N13 | C15 | C16 | 110.5° | 114.1° |
| C17 | C15 | C21 | C16 | 120.1° | 120.2° |
| C15 | C17 | C18 | H171 | 120.0° | 120.1° |
| C15 | C17 | C18 | H172 | 117.3° | 120.2° |
| C15 | C17 | H171 | H172 | 117.5° | 119.8° |
| C15 | C17 | C18 | S19 | 58.1° | 65.1° |
| C15 | C17 | C18 | H181 | 61.9° | 174.9° |
| C15 | C17 | C18 | H182 | 178.1° | 54.8° |
| C17 | C15 | C21 | C20 | 59.3° | 68.4° |
| C17 | C15 | C21 | H211 | 60.7° | 171.4° |
| C17 | C15 | C21 | H212 | 176.3° | 51.9° |
| C17 | C15 | C16 | N34 | 55.1° | 178.0° |
| C17 | C15 | C16 | H161 | 175.1° | 62.0° |
| C17 | C15 | C16 | H162 | 57.8° | 57.9° |
| C21 | C15 | C17 | C18 | 60.9° | 68.2° |
| C21 | C15 | C17 | H171 | 179.1° | 51.9° |
| C21 | C15 | C17 | H172 | 56.4° | 171.6° |
| C15 | C21 | C20 | S19 | 55.4° | 65.2° |
| C15 | C21 | C20 | H211 | 120.0° | 120.0° |
| C15 | C21 | C20 | H212 | 117.0° | 120.3° |
| C15 | C21 | C20 | H201 | 175.4° | 174.8° |
| C15 | C21 | C20 | H202 | 64.3° | 54.7° |
| C15 | C21 | H211 | H212 | 117.3° | 119.6° |
| C21 | C15 | C16 | N34 | 64.6° | 57.2° |
| C21 | C15 | C16 | H161 | 55.4° | 177.2° |
| C21 | C15 | C16 | H162 | 177.5° | 62.9° |
| C16 | C15 | C17 | C18 | 179.7° | 171.6° |
| C16 | C15 | C17 | H171 | 60.3° | 68.3° |
| C16 | C15 | C17 | H172 | 62.5° | 51.4° |
| C16 | C15 | C21 | C20 | 179.3° | 171.3° |
| C16 | C15 | C21 | H211 | 59.3° | 51.1° |
| C16 | C15 | C21 | H212 | 63.6° | 68.3° |
| C15 | C16 | N34 | H161 | 120.0° | 120.0° |
| C15 | C16 | N34 | H162 | 112.8° | 120.0° |
| C15 | C16 | N34 | H341 | 128.3° | 62.9° |
| C15 | C16 | N34 | H342 | 111.7° | 176.7° |
| C15 | C16 | H161 | H162 | 114.2° | 119.9° |
| C18 | C17 | H171 | H172 | 117.6° | 119.7° |
| C17 | C18 | S19 | H181 | 120.0° | 120.0° |
| C17 | C18 | S19 | H182 | 120.0° | 120.0° |
| C17 | C18 | H181 | H182 | 120.0° | 120.1° |
| C17 | C18 | S19 | C20 | 49.2° | 56.7° |
| C17 | C18 | S19 | O32 | 168.8° | 57.1° |
| C17 | C18 | S19 | O33 | 69.8° | 170.6° |
| H171 | C17 | C18 | S19 | 178.1° | 55.0° |
| H171 | C17 | C18 | H181 | 58.1° | 64.9° |
| H171 | C17 | C18 | H182 | 62.0° | 175.0° |
| H172 | C17 | C18 | S19 | 59.2° | 174.7° |
| H172 | C17 | C18 | H181 | 179.2° | 54.7° |
| H172 | C17 | C18 | H182 | 60.8° | 65.4° |
| S19 | C18 | H181 | H182 | 120.0° | 120.0° |
| C18 | S19 | C20 | O32 | 118.9° | 113.9° |
| C18 | S19 | C20 | O33 | 119.3° | 113.9° |
| C18 | S19 | O32 | O33 | 121.1° | 126.4° |
| C18 | S19 | C20 | C21 | 48.0° | 56.7° |
| C18 | S19 | C20 | H201 | 168.0° | 176.7° |
| C18 | S19 | C20 | H202 | 71.7° | 63.2° |
| H181 | C18 | S19 | C20 | 70.7° | 176.7° |
| H181 | C18 | S19 | O32 | 48.8° | 62.8° |
| H181 | C18 | S19 | O33 | 170.2° | 69.4° |
| H182 | C18 | S19 | C20 | 169.2° | 63.3° |
| H182 | C18 | S19 | O32 | 71.3° | 177.1° |
| H182 | C18 | S19 | O33 | 50.1° | 50.6° |
| C20 | S19 | O32 | O33 | 121.4° | 126.4° |
| S19 | C20 | C21 | H201 | 120.0° | 119.9° |
| S19 | C20 | C21 | H202 | 119.6° | 119.9° |
| S19 | C20 | H201 | H202 | 119.7° | 120.0° |
| S19 | C20 | C21 | H211 | 64.6° | 174.7° |
| S19 | C20 | C21 | H212 | 172.4° | 55.1° |
| O32 | S19 | C20 | C21 | 166.9° | 57.1° |
| O32 | S19 | C20 | H201 | 73.1° | 62.9° |
| O32 | S19 | C20 | H202 | 47.2° | 177.1° |
| O33 | S19 | C20 | C21 | 71.3° | 170.6° |
| O33 | S19 | C20 | H201 | 48.7° | 69.4° |
| O33 | S19 | C20 | H202 | 169.1° | 50.6° |
| C21 | C20 | H201 | H202 | 119.7° | 120.2° |
| C20 | C21 | H211 | H212 | 117.3° | 119.7° |
| H201 | C20 | C21 | H211 | 55.4° | 54.8° |
| H201 | C20 | C21 | H212 | 67.6° | 64.9° |
| H202 | C20 | C21 | H211 | 175.7° | 65.3° |
| H202 | C20 | C21 | H212 | 52.7° | 175.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.8° |
| C22 | C23 | C24 | C25 | 1.0° | 0.1° |
| C22 | C23 | C24 | H24 | 179.0° | 179.8° |
| H22 | C22 | C23 | C24 | 179.0° | 180.0° |
| H22 | C22 | C23 | H23 | 1.0° | 0.2° |
| C23 | C24 | C25 | H24 | 180.0° | 179.9° |
| C23 | C24 | C25 | C26 | 0.9° | 0.1° |
| C23 | C24 | C25 | H25 | 179.1° | 180.0° |
| H23 | C23 | C24 | C25 | 179.0° | 180.0° |
| H23 | C23 | C24 | H24 | 1.0° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | H26 | 179.1° | 180.0° |
| H24 | C24 | C25 | C26 | 179.1° | 180.0° |
| H24 | C24 | C25 | H25 | 0.9° | 0.0° |
| H25 | C25 | C26 | H26 | 0.8° | 0.0° |
| C28 | C27 | H271 | H272 | 120.8° | 122.6° |
| C27 | C28 | C29 | H281 | 120.0° | 118.3° |
| C27 | C28 | C29 | H282 | 121.4° | 118.4° |
| C27 | C28 | H281 | H282 | 121.4° | 123.3° |
| C27 | C28 | C29 | C30 | 1.9° | 38.0° |
| C27 | C28 | C29 | H291 | 122.0° | 156.6° |
| C27 | C28 | C29 | H292 | 119.2° | 80.7° |
| H271 | C27 | C28 | C29 | 143.4° | 80.7° |
| H271 | C27 | C28 | H281 | 23.3° | 161.0° |
| H271 | C27 | C28 | H282 | 95.3° | 37.6° |
| H272 | C27 | C28 | C29 | 97.4° | 156.7° |
| H272 | C27 | C28 | H281 | 142.6° | 38.3° |
| H272 | C27 | C28 | H282 | 24.0° | 85.0° |
| C29 | C28 | H281 | H282 | 121.5° | 123.3° |
| C28 | C29 | C30 | H291 | 120.0° | 118.6° |
| C28 | C29 | C30 | H292 | 121.2° | 118.7° |
| C28 | C29 | H291 | H292 | 121.2° | 122.7° |
| C28 | C29 | C30 | H301 | 99.8° | 95.7° |
| C28 | C29 | C30 | H302 | 141.1° | 142.9° |
| H281 | C28 | C29 | C30 | 118.1° | 80.4° |
| H281 | C28 | C29 | H291 | 1.9° | 38.3° |
| H281 | C28 | C29 | H292 | 120.8° | 161.0° |
| H282 | C28 | C29 | C30 | 123.3° | 156.3° |
| H282 | C28 | C29 | H291 | 116.7° | 85.1° |
| H282 | C28 | C29 | H292 | 2.2° | 37.6° |
| C30 | C29 | H291 | H292 | 121.2° | 122.6° |
| C29 | C30 | H301 | H302 | 121.0° | 121.4° |
| H291 | C29 | C30 | H301 | 140.2° | 23.0° |
| H291 | C29 | C30 | H302 | 21.1° | 98.4° |
| H292 | C29 | C30 | H301 | 21.3° | 145.6° |
| H292 | C29 | C30 | H302 | 97.8° | 24.2° |
| H311 | C31 | H312 | H313 | 120.0° | 120.1° |
| C16 | N34 | H341 | H342 | 120.0° | 113.7° |
| N34 | C16 | H161 | H162 | 114.3° | 120.0° |
| H341 | N34 | C16 | H161 | 8.3° | 57.0° |
| H341 | N34 | C16 | H162 | 118.8° | 177.0° |
| H342 | N34 | C16 | H161 | 128.3° | 56.7° |
| H342 | N34 | C16 | H162 | 1.2° | 63.3° |
