I11
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | C6 | sing | 1.53Å | 1.54Å | |
| C1 | H11 | sing | 1.09Å | 1.11Å | |
| C1 | H12 | sing | 1.09Å | 1.11Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.12Å | |
| C3 | C4 | sing | 1.53Å | 1.54Å | |
| C3 | S19 | sing | 1.81Å | 1.82Å | |
| C3 | H3 | sing | 1.09Å | 1.12Å | |
| C4 | C5 | sing | 1.53Å | 1.54Å | |
| C4 | H41 | sing | 1.09Å | 1.12Å | |
| C4 | H42 | sing | 1.09Å | 1.12Å | |
| C5 | C6 | sing | 1.53Å | 1.55Å | |
| C5 | H51 | sing | 1.09Å | 1.12Å | |
| C5 | H52 | sing | 1.09Å | 1.12Å | |
| C6 | H61 | sing | 1.09Å | 1.12Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| S19 | O43 | doub | 1.42Å | 1.45Å | |
| S19 | O44 | doub | 1.42Å | 1.44Å | |
| S19 | N20 | sing | 1.66Å | 1.64Å | |
| N20 | C21 | sing | 1.46Å | 1.34Å | |
| N20 | H20 | sing | 0.97Å | 1.00Å | |
| C21 | C22 | sing | 1.51Å | 1.47Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.12Å | |
| C22 | O42 | doub | 1.21Å | 1.24Å | |
| C22 | N23 | sing | 1.35Å | 1.35Å | |
| N23 | C24 | sing | 1.46Å | 1.45Å | |
| N23 | H23 | sing | 0.97Å | 1.00Å | |
| C24 | C25 | sing | 1.53Å | 1.55Å | |
| C24 | C34 | sing | 1.51Å | 1.52Å | |
| C24 | H24 | sing | 1.09Å | 1.11Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.11Å | |
| C26 | N27 | sing | 1.46Å | 1.46Å | |
| C26 | H261 | sing | 1.09Å | 1.12Å | |
| C26 | H262 | sing | 1.09Å | 1.12Å | |
| N27 | C28 | sing | 1.39Å | 1.32Å | |
| N27 | H27 | sing | 0.97Å | 1.01Å | |
| C28 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | C33 | sing | 1.39Å | 1.47Å | Aromatic |
| C29 | C30 | sing | 1.38Å | 1.41Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.10Å | |
| C30 | N31 | doub | 1.32Å | 1.31Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.10Å | |
| N31 | C32 | sing | 1.32Å | 1.32Å | Aromatic |
| N31 | H31 | sing | 0.97Å | 1.00Å | |
| C32 | C33 | doub | 1.38Å | 1.40Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | H33 | sing | 1.08Å | 1.10Å | |
| C34 | O41 | doub | 1.21Å | 1.23Å | |
| C34 | N35 | sing | 1.35Å | 1.36Å | |
| N35 | C36 | sing | 1.47Å | 1.46Å | |
| N35 | C40 | sing | 1.47Å | 1.46Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C37 | C38 | sing | 1.53Å | 1.55Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.11Å | |
| C38 | C39 | sing | 1.53Å | 1.54Å | |
| C38 | H381 | sing | 1.09Å | 1.11Å | |
| C38 | H382 | sing | 1.09Å | 1.11Å | |
| C39 | C40 | sing | 1.53Å | 1.54Å | |
| C39 | H391 | sing | 1.09Å | 1.12Å | |
| C39 | H392 | sing | 1.09Å | 1.12Å | |
| C40 | H401 | sing | 1.09Å | 1.11Å | |
| C40 | H402 | sing | 1.09Å | 1.12Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 110.8° | 109.5° |
| C2 | C1 | H11 | 111.7° | 109.5° |
| C2 | C1 | H12 | 111.7° | 109.5° |
| C1 | C2 | C3 | 109.5° | 109.5° |
| C1 | C2 | H21 | 112.2° | 109.5° |
| C1 | C2 | H22 | 112.2° | 109.5° |
| C6 | C1 | H11 | 111.7° | 109.5° |
| C6 | C1 | H12 | 111.7° | 109.5° |
| C1 | C6 | C5 | 110.6° | 109.5° |
| C1 | C6 | H61 | 111.8° | 109.5° |
| C1 | C6 | H62 | 111.8° | 109.5° |
| H11 | C1 | H12 | 98.7° | 109.5° |
| C3 | C2 | H21 | 112.2° | 109.5° |
| C3 | C2 | H22 | 112.1° | 109.4° |
| C2 | C3 | C4 | 110.0° | 109.4° |
| C2 | C3 | S19 | 110.2° | 109.5° |
| C2 | C3 | H3 | 109.3° | 109.5° |
| H21 | C2 | H22 | 98.2° | 109.5° |
| C4 | C3 | S19 | 111.5° | 109.5° |
| C4 | C3 | H3 | 108.0° | 109.5° |
| C3 | C4 | C5 | 107.7° | 109.5° |
| C3 | C4 | H41 | 112.9° | 109.5° |
| C3 | C4 | H42 | 112.9° | 109.5° |
| S19 | C3 | H3 | 107.7° | 109.5° |
| C3 | S19 | O43 | 109.8° | 111.6° |
| C3 | S19 | O44 | 104.4° | 111.7° |
| C3 | S19 | N20 | 117.0° | 103.2° |
| C5 | C4 | H41 | 112.9° | 109.5° |
| C5 | C4 | H42 | 112.9° | 109.5° |
| C4 | C5 | C6 | 110.9° | 109.5° |
| C4 | C5 | H51 | 111.7° | 109.4° |
| C4 | C5 | H52 | 111.7° | 109.5° |
| H41 | C4 | H42 | 97.5° | 109.4° |
| C6 | C5 | H51 | 111.7° | 109.5° |
| C6 | C5 | H52 | 111.7° | 109.5° |
| C5 | C6 | H61 | 111.7° | 109.5° |
| C5 | C6 | H62 | 111.7° | 109.4° |
| H51 | C5 | H52 | 98.7° | 109.4° |
| H61 | C6 | H62 | 98.6° | 109.5° |
| O43 | S19 | O44 | 107.7° | 122.0° |
| O43 | S19 | N20 | 105.7° | 102.8° |
| O44 | S19 | N20 | 111.9° | 102.8° |
| S19 | N20 | C21 | 116.0° | 120.0° |
| S19 | N20 | H20 | 108.1° | 120.0° |
| C21 | N20 | H20 | 108.0° | 120.0° |
| N20 | C21 | C22 | 117.0° | 109.5° |
| N20 | C21 | H211 | 109.5° | 109.4° |
| N20 | C21 | H212 | 109.5° | 109.5° |
| C22 | C21 | H211 | 109.4° | 109.5° |
| C22 | C21 | H212 | 109.4° | 109.5° |
| C21 | C22 | O42 | 116.0° | 119.9° |
| C21 | C22 | N23 | 120.9° | 120.0° |
| H211 | C21 | H212 | 100.7° | 109.5° |
| O42 | C22 | N23 | 123.1° | 120.0° |
| C22 | N23 | C24 | 117.6° | 120.0° |
| C22 | N23 | H23 | 120.8° | 120.0° |
| C24 | N23 | H23 | 117.9° | 120.0° |
| N23 | C24 | C25 | 108.9° | 109.5° |
| N23 | C24 | C34 | 112.4° | 109.5° |
| N23 | C24 | H24 | 109.0° | 109.5° |
| C25 | C24 | C34 | 112.6° | 109.5° |
| C25 | C24 | H24 | 108.8° | 109.5° |
| C24 | C25 | C26 | 112.4° | 109.5° |
| C24 | C25 | H251 | 111.1° | 109.5° |
| C24 | C25 | H252 | 111.2° | 109.5° |
| C34 | C24 | H24 | 105.0° | 109.4° |
| C24 | C34 | O41 | 120.5° | 120.0° |
| C24 | C34 | N35 | 118.3° | 120.0° |
| C26 | C25 | H251 | 111.1° | 109.5° |
| C26 | C25 | H252 | 111.1° | 109.4° |
| C25 | C26 | N27 | 114.7° | 109.5° |
| C25 | C26 | H261 | 110.3° | 109.5° |
| C25 | C26 | H262 | 110.3° | 109.5° |
| H251 | C25 | H252 | 99.2° | 109.4° |
| N27 | C26 | H261 | 110.3° | 109.4° |
| N27 | C26 | H262 | 110.4° | 109.4° |
| C26 | N27 | C28 | 121.6° | 120.0° |
| C26 | N27 | H27 | 118.0° | 120.0° |
| H261 | C26 | H262 | 99.9° | 109.5° |
| C28 | N27 | H27 | 119.4° | 120.0° |
| N27 | C28 | C29 | 122.4° | 120.9° |
| N27 | C28 | C33 | 120.9° | 120.8° |
| C29 | C28 | C33 | 116.4° | 118.2° |
| C28 | C29 | C30 | 119.0° | 119.1° |
| C28 | C29 | H29 | 120.1° | 120.4° |
| C28 | C33 | C32 | 117.8° | 119.1° |
| C28 | C33 | H33 | 123.5° | 120.4° |
| C30 | C29 | H29 | 120.9° | 120.5° |
| C29 | C30 | N31 | 122.1° | 120.8° |
| C29 | C30 | H30 | 122.6° | 119.6° |
| N31 | C30 | H30 | 115.3° | 119.6° |
| C30 | N31 | C32 | 120.6° | 121.9° |
| C30 | N31 | H31 | 115.4° | 119.0° |
| C32 | N31 | H31 | 118.1° | 119.0° |
| N31 | C32 | C33 | 121.4° | 120.8° |
| N31 | C32 | H32 | 116.4° | 119.6° |
| C33 | C32 | H32 | 122.3° | 119.6° |
| C32 | C33 | H33 | 118.7° | 120.5° |
| O41 | C34 | N35 | 120.6° | 120.0° |
| C34 | N35 | C36 | 119.1° | 120.7° |
| C34 | N35 | C40 | 118.7° | 120.6° |
| C36 | N35 | C40 | 122.1° | 118.7° |
| N35 | C36 | C37 | 108.0° | 108.8° |
| N35 | C36 | H361 | 112.7° | 109.5° |
| N35 | C36 | H362 | 112.8° | 109.6° |
| N35 | C40 | C39 | 110.5° | 109.0° |
| N35 | C40 | H401 | 111.8° | 109.7° |
| N35 | C40 | H402 | 111.8° | 109.3° |
| C37 | C36 | H361 | 112.8° | 109.6° |
| C37 | C36 | H362 | 112.8° | 109.6° |
| C36 | C37 | C38 | 114.8° | 109.3° |
| C36 | C37 | H371 | 110.2° | 109.4° |
| C36 | C37 | H372 | 110.2° | 109.5° |
| H361 | C36 | H362 | 97.7° | 109.7° |
| C38 | C37 | H371 | 110.3° | 109.5° |
| C38 | C37 | H372 | 110.3° | 109.5° |
| C37 | C38 | C39 | 112.8° | 109.5° |
| C37 | C38 | H381 | 111.0° | 109.5° |
| C37 | C38 | H382 | 111.0° | 109.4° |
| H371 | C37 | H372 | 100.1° | 109.5° |
| C39 | C38 | H381 | 111.0° | 109.5° |
| C39 | C38 | H382 | 110.9° | 109.4° |
| C38 | C39 | C40 | 109.3° | 109.4° |
| C38 | C39 | H391 | 112.3° | 109.4° |
| C38 | C39 | H392 | 112.3° | 109.5° |
| H381 | C38 | H382 | 99.3° | 109.5° |
| C40 | C39 | H391 | 112.3° | 109.6° |
| C40 | C39 | H392 | 112.2° | 109.4° |
| C39 | C40 | H401 | 111.8° | 109.6° |
| C39 | C40 | H402 | 111.8° | 109.6° |
| H391 | C39 | H392 | 98.1° | 109.6° |
| H401 | C40 | H402 | 98.6° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H11 | 125.2° | 120.0° |
| C2 | C1 | C6 | H12 | 125.2° | 120.0° |
| C2 | C1 | H11 | H12 | 117.7° | 120.0° |
| C1 | C2 | C3 | H21 | 125.3° | 120.0° |
| C1 | C2 | C3 | H22 | 125.3° | 120.0° |
| C1 | C2 | H21 | H22 | 118.2° | 120.1° |
| C1 | C2 | C3 | C4 | 61.2° | 60.0° |
| C1 | C2 | C3 | S19 | 175.5° | 180.0° |
| C1 | C2 | C3 | H3 | 57.2° | 60.0° |
| C2 | C1 | C6 | C5 | 54.9° | 60.0° |
| C2 | C1 | C6 | H61 | 70.4° | 180.0° |
| C2 | C1 | C6 | H62 | 179.9° | 59.9° |
| C6 | C1 | H11 | H12 | 117.7° | 120.0° |
| C6 | C1 | C2 | C3 | 56.8° | 60.0° |
| C6 | C1 | C2 | H21 | 177.9° | 180.0° |
| C6 | C1 | C2 | H22 | 68.4° | 60.0° |
| C1 | C6 | C5 | C4 | 57.3° | 60.0° |
| C1 | C6 | C5 | H61 | 125.3° | 120.0° |
| C1 | C6 | C5 | H62 | 125.3° | 119.9° |
| C1 | C6 | C5 | H51 | 68.0° | 60.0° |
| C1 | C6 | C5 | H52 | 177.5° | 180.0° |
| C1 | C6 | H61 | H62 | 117.7° | 120.0° |
| H11 | C1 | C2 | C3 | 177.9° | 60.0° |
| H11 | C1 | C2 | H21 | 52.7° | 60.0° |
| H11 | C1 | C2 | H22 | 56.8° | 180.0° |
| H11 | C1 | C6 | C5 | 179.9° | 60.0° |
| H11 | C1 | C6 | H61 | 54.9° | 60.0° |
| H11 | C1 | C6 | H62 | 54.6° | 180.0° |
| H12 | C1 | C2 | C3 | 68.4° | 180.0° |
| H12 | C1 | C2 | H21 | 56.9° | 60.0° |
| H12 | C1 | C2 | H22 | 166.4° | 60.0° |
| H12 | C1 | C6 | C5 | 70.3° | 180.0° |
| H12 | C1 | C6 | H61 | 164.4° | 60.0° |
| H12 | C1 | C6 | H62 | 54.9° | 60.0° |
| C3 | C2 | H21 | H22 | 118.0° | 119.9° |
| C2 | C3 | C4 | S19 | 122.6° | 120.0° |
| C2 | C3 | C4 | H3 | 119.3° | 120.0° |
| C2 | C3 | S19 | H3 | 119.3° | 120.0° |
| C2 | C3 | C4 | C5 | 62.4° | 60.0° |
| C2 | C3 | C4 | H41 | 172.3° | 60.1° |
| C2 | C3 | C4 | H42 | 62.9° | 180.0° |
| C2 | C3 | S19 | O43 | 39.2° | 70.1° |
| C2 | C3 | S19 | O44 | 154.5° | 70.4° |
| C2 | C3 | S19 | N20 | 81.3° | 179.8° |
| H21 | C2 | C3 | C4 | 173.5° | 180.0° |
| H21 | C2 | C3 | S19 | 50.2° | 60.0° |
| H21 | C2 | C3 | H3 | 68.0° | 60.0° |
| H22 | C2 | C3 | C4 | 64.1° | 60.1° |
| H22 | C2 | C3 | S19 | 59.2° | 60.0° |
| H22 | C2 | C3 | H3 | 177.5° | 180.0° |
| C4 | C3 | S19 | H3 | 118.3° | 120.0° |
| C3 | C4 | C5 | H41 | 125.3° | 120.0° |
| C3 | C4 | C5 | H42 | 125.3° | 120.0° |
| C3 | C4 | H41 | H42 | 118.8° | 120.0° |
| C3 | C4 | C5 | C6 | 60.2° | 60.0° |
| C3 | C4 | C5 | H51 | 65.1° | 60.0° |
| C3 | C4 | C5 | H52 | 174.5° | 180.0° |
| C4 | C3 | S19 | O43 | 161.6° | 49.9° |
| C4 | C3 | S19 | O44 | 83.1° | 169.6° |
| C4 | C3 | S19 | N20 | 41.2° | 59.8° |
| S19 | C3 | C4 | C5 | 175.0° | 180.0° |
| S19 | C3 | C4 | H41 | 49.8° | 60.0° |
| S19 | C3 | C4 | H42 | 59.7° | 60.0° |
| C3 | S19 | O43 | O44 | 113.1° | 135.8° |
| C3 | S19 | O43 | N20 | 127.1° | 110.0° |
| C3 | S19 | O44 | N20 | 127.5° | 110.0° |
| C3 | S19 | N20 | C21 | 104.0° | 65.6° |
| C3 | S19 | N20 | H20 | 17.3° | 114.5° |
| H3 | C3 | C4 | C5 | 56.9° | 60.0° |
| H3 | C3 | C4 | H41 | 68.4° | 180.0° |
| H3 | C3 | C4 | H42 | 177.8° | 60.0° |
| H3 | C3 | S19 | O43 | 80.1° | 169.9° |
| H3 | C3 | S19 | O44 | 35.2° | 49.6° |
| H3 | C3 | S19 | N20 | 159.5° | 60.2° |
| C5 | C4 | H41 | H42 | 118.8° | 120.0° |
| C4 | C5 | C6 | H51 | 125.3° | 120.0° |
| C4 | C5 | C6 | H52 | 125.2° | 120.1° |
| C4 | C5 | H51 | H52 | 117.6° | 119.9° |
| C4 | C5 | C6 | H61 | 68.0° | 180.0° |
| C4 | C5 | C6 | H62 | 177.4° | 60.0° |
| H41 | C4 | C5 | C6 | 174.5° | 60.0° |
| H41 | C4 | C5 | H51 | 60.2° | 180.0° |
| H41 | C4 | C5 | H52 | 49.2° | 60.0° |
| H42 | C4 | C5 | C6 | 65.1° | 180.0° |
| H42 | C4 | C5 | H51 | 169.6° | 60.0° |
| H42 | C4 | C5 | H52 | 60.2° | 59.9° |
| C6 | C5 | H51 | H52 | 117.6° | 120.0° |
| C5 | C6 | H61 | H62 | 117.6° | 120.0° |
| H51 | C5 | C6 | H61 | 166.7° | 60.0° |
| H51 | C5 | C6 | H62 | 57.3° | 180.0° |
| H52 | C5 | C6 | H61 | 57.3° | 60.0° |
| H52 | C5 | C6 | H62 | 52.2° | 60.1° |
| O43 | S19 | O44 | N20 | 115.8° | 114.2° |
| O43 | S19 | N20 | C21 | 133.4° | 178.2° |
| O43 | S19 | N20 | H20 | 105.3° | 1.7° |
| O44 | S19 | N20 | C21 | 16.3° | 50.7° |
| O44 | S19 | N20 | H20 | 137.7° | 129.3° |
| S19 | N20 | C21 | H20 | 121.4° | 180.0° |
| S19 | N20 | C21 | C22 | 129.9° | 164.9° |
| S19 | N20 | C21 | H211 | 4.7° | 44.9° |
| S19 | N20 | C21 | H212 | 104.8° | 75.1° |
| N20 | C21 | C22 | H211 | 125.3° | 120.0° |
| N20 | C21 | C22 | H212 | 125.3° | 120.0° |
| N20 | C21 | H211 | H212 | 115.3° | 120.0° |
| N20 | C21 | C22 | O42 | 5.0° | 0.0° |
| N20 | C21 | C22 | N23 | 173.7° | 179.7° |
| H20 | N20 | C21 | C22 | 8.5° | 15.1° |
| H20 | N20 | C21 | H211 | 116.7° | 135.1° |
| H20 | N20 | C21 | H212 | 133.8° | 104.9° |
| C22 | C21 | H211 | H212 | 115.2° | 120.0° |
| C21 | C22 | O42 | N23 | 178.7° | 179.8° |
| C21 | C22 | N23 | C24 | 174.9° | 179.7° |
| C21 | C22 | N23 | H23 | 27.2° | 0.3° |
| H211 | C21 | C22 | O42 | 130.3° | 120.0° |
| H211 | C21 | C22 | N23 | 48.4° | 59.7° |
| H212 | C21 | C22 | O42 | 120.3° | 120.0° |
| H212 | C21 | C22 | N23 | 61.0° | 60.3° |
| O42 | C22 | N23 | C24 | 6.5° | 0.0° |
| O42 | C22 | N23 | H23 | 151.4° | 180.0° |
| C22 | N23 | C24 | H23 | 158.5° | 180.0° |
| C22 | N23 | C24 | C25 | 108.3° | 155.0° |
| C22 | N23 | C24 | C34 | 126.2° | 85.0° |
| C22 | N23 | C24 | H24 | 10.2° | 35.0° |
| N23 | C24 | C25 | C34 | 125.4° | 120.0° |
| N23 | C24 | C25 | H24 | 118.7° | 120.0° |
| N23 | C24 | C34 | H24 | 118.4° | 120.0° |
| N23 | C24 | C25 | C26 | 147.4° | 65.0° |
| N23 | C24 | C25 | H251 | 87.4° | 175.0° |
| N23 | C24 | C25 | H252 | 22.1° | 55.0° |
| N23 | C24 | C34 | O41 | 99.7° | 21.9° |
| N23 | C24 | C34 | N35 | 71.2° | 158.1° |
| H23 | N23 | C24 | C25 | 93.1° | 25.0° |
| H23 | N23 | C24 | C34 | 32.3° | 95.0° |
| H23 | N23 | C24 | H24 | 148.3° | 145.0° |
| C25 | C24 | C34 | H24 | 118.2° | 120.0° |
| C24 | C25 | C26 | H251 | 125.2° | 120.0° |
| C24 | C25 | C26 | H252 | 125.3° | 120.0° |
| C24 | C25 | H251 | H252 | 117.1° | 120.0° |
| C24 | C25 | C26 | N27 | 60.3° | 180.0° |
| C24 | C25 | C26 | H261 | 65.0° | 60.0° |
| C24 | C25 | C26 | H262 | 174.4° | 60.0° |
| C25 | C24 | C34 | O41 | 23.7° | 98.1° |
| C25 | C24 | C34 | N35 | 165.4° | 81.9° |
| C34 | C24 | C25 | C26 | 87.2° | 175.0° |
| C34 | C24 | C25 | H251 | 38.0° | 55.0° |
| C34 | C24 | C25 | H252 | 147.5° | 65.0° |
| C24 | C34 | O41 | N35 | 170.7° | 180.0° |
| C24 | C34 | N35 | C36 | 49.1° | 178.6° |
| C24 | C34 | N35 | C40 | 127.6° | 1.1° |
| H24 | C24 | C25 | C26 | 28.7° | 55.0° |
| H24 | C24 | C25 | H251 | 153.9° | 65.0° |
| H24 | C24 | C25 | H252 | 96.6° | 175.0° |
| H24 | C24 | C34 | O41 | 141.9° | 141.9° |
| H24 | C24 | C34 | N35 | 47.2° | 38.1° |
| C26 | C25 | H251 | H252 | 117.0° | 119.9° |
| C25 | C26 | N27 | H261 | 125.3° | 120.0° |
| C25 | C26 | N27 | H262 | 125.3° | 120.0° |
| C25 | C26 | H261 | H262 | 116.1° | 120.0° |
| C25 | C26 | N27 | C28 | 95.4° | 180.0° |
| C25 | C26 | N27 | H27 | 96.1° | 0.0° |
| H251 | C25 | C26 | N27 | 174.5° | 60.0° |
| H251 | C25 | C26 | H261 | 60.3° | 180.0° |
| H251 | C25 | C26 | H262 | 49.1° | 60.0° |
| H252 | C25 | C26 | N27 | 65.0° | 60.0° |
| H252 | C25 | C26 | H261 | 169.7° | 60.0° |
| H252 | C25 | C26 | H262 | 60.3° | 180.0° |
| N27 | C26 | H261 | H262 | 116.2° | 119.9° |
| C26 | N27 | C28 | H27 | 168.3° | 180.0° |
| C26 | N27 | C28 | C29 | 49.2° | 180.0° |
| C26 | N27 | C28 | C33 | 137.0° | 0.3° |
| H261 | C26 | N27 | C28 | 139.3° | 60.0° |
| H261 | C26 | N27 | H27 | 29.2° | 120.0° |
| H262 | C26 | N27 | C28 | 29.9° | 60.0° |
| H262 | C26 | N27 | H27 | 138.6° | 120.0° |
| N27 | C28 | C29 | C33 | 174.1° | 179.7° |
| N27 | C28 | C29 | C30 | 176.2° | 180.0° |
| N27 | C28 | C29 | H29 | 3.7° | 0.1° |
| N27 | C28 | C33 | C32 | 180.0° | 179.7° |
| N27 | C28 | C33 | H33 | 0.0° | 0.3° |
| H27 | N27 | C28 | C29 | 142.5° | 0.0° |
| H27 | N27 | C28 | C33 | 31.4° | 179.7° |
| C28 | C29 | C30 | H29 | 180.0° | 179.9° |
| C28 | C29 | C30 | N31 | 0.1° | 0.0° |
| C28 | C29 | C30 | H30 | 180.0° | 180.0° |
| C29 | C28 | C33 | C32 | 5.8° | 0.6° |
| C29 | C28 | C33 | H33 | 174.2° | 180.0° |
| C33 | C28 | C29 | C30 | 9.7° | 0.3° |
| C33 | C28 | C29 | H29 | 170.4° | 179.8° |
| C28 | C33 | C32 | N31 | 8.2° | 0.6° |
| C28 | C33 | C32 | H33 | 180.0° | 179.4° |
| C28 | C33 | C32 | H32 | 171.8° | 179.7° |
| C29 | C30 | N31 | H30 | 179.9° | 180.0° |
| C29 | C30 | N31 | C32 | 14.8° | 0.0° |
| C29 | C30 | N31 | H31 | 137.6° | 179.9° |
| H29 | C29 | C30 | N31 | 179.9° | 179.9° |
| H29 | C29 | C30 | H30 | 0.0° | 0.1° |
| C30 | N31 | C32 | H31 | 151.7° | 179.9° |
| C30 | N31 | C32 | C33 | 18.9° | 0.2° |
| C30 | N31 | C32 | H32 | 161.2° | 180.0° |
| H30 | C30 | N31 | C32 | 165.3° | 180.0° |
| H30 | C30 | N31 | H31 | 42.3° | 0.1° |
| N31 | C32 | C33 | H32 | 180.0° | 179.8° |
| N31 | C32 | C33 | H33 | 171.7° | 180.0° |
| H31 | N31 | C32 | C33 | 132.8° | 179.7° |
| H31 | N31 | C32 | H32 | 47.1° | 0.1° |
| H32 | C32 | C33 | H33 | 8.3° | 0.2° |
| O41 | C34 | N35 | C36 | 140.0° | 1.4° |
| O41 | C34 | N35 | C40 | 43.3° | 178.9° |
| C34 | N35 | C36 | C40 | 176.6° | 179.7° |
| C34 | N35 | C36 | C37 | 138.7° | 126.4° |
| C34 | N35 | C36 | H361 | 96.1° | 113.8° |
| C34 | N35 | C36 | H362 | 13.4° | 6.5° |
| C34 | N35 | C40 | C39 | 167.6° | 126.4° |
| C34 | N35 | C40 | H401 | 67.2° | 6.4° |
| C34 | N35 | C40 | H402 | 42.3° | 113.8° |
| N35 | C36 | C37 | H361 | 125.2° | 119.8° |
| N35 | C36 | C37 | H362 | 125.3° | 119.8° |
| N35 | C36 | H361 | H362 | 118.7° | 120.3° |
| N35 | C36 | C37 | C38 | 50.7° | 54.7° |
| N35 | C36 | C37 | H371 | 175.9° | 174.6° |
| N35 | C36 | C37 | H372 | 74.6° | 65.3° |
| C36 | N35 | C40 | C39 | 15.8° | 53.3° |
| C36 | N35 | C40 | H401 | 109.5° | 173.3° |
| C36 | N35 | C40 | H402 | 141.1° | 66.5° |
| C40 | N35 | C36 | C37 | 37.9° | 53.3° |
| C40 | N35 | C36 | H361 | 87.3° | 66.5° |
| C40 | N35 | C36 | H362 | 163.2° | 173.1° |
| N35 | C40 | C39 | C38 | 58.4° | 54.4° |
| N35 | C40 | C39 | H401 | 125.3° | 120.0° |
| N35 | C40 | C39 | H402 | 125.2° | 119.6° |
| N35 | C40 | C39 | H391 | 67.0° | 174.4° |
| N35 | C40 | C39 | H392 | 176.4° | 65.5° |
| N35 | C40 | H401 | H402 | 117.7° | 120.0° |
| C37 | C36 | H361 | H362 | 118.7° | 120.4° |
| C36 | C37 | C38 | H371 | 125.2° | 119.9° |
| C36 | C37 | C38 | H372 | 125.2° | 120.0° |
| C36 | C37 | H371 | H372 | 116.1° | 120.1° |
| C36 | C37 | C38 | C39 | 10.1° | 61.4° |
| C36 | C37 | C38 | H381 | 115.2° | 58.6° |
| C36 | C37 | C38 | H382 | 135.3° | 178.6° |
| H361 | C36 | C37 | C38 | 74.5° | 65.1° |
| H361 | C36 | C37 | H371 | 50.7° | 54.8° |
| H361 | C36 | C37 | H372 | 160.2° | 174.9° |
| H362 | C36 | C37 | C38 | 176.0° | 174.5° |
| H362 | C36 | C37 | H371 | 58.8° | 65.6° |
| H362 | C36 | C37 | H372 | 50.7° | 54.5° |
| C38 | C37 | H371 | H372 | 116.1° | 120.1° |
| C37 | C38 | C39 | H381 | 125.3° | 120.0° |
| C37 | C38 | C39 | H382 | 125.3° | 119.9° |
| C37 | C38 | H381 | H382 | 116.9° | 120.0° |
| C37 | C38 | C39 | C40 | 44.1° | 61.3° |
| C37 | C38 | C39 | H391 | 81.2° | 178.7° |
| C37 | C38 | C39 | H392 | 169.3° | 58.6° |
| H371 | C37 | C38 | C39 | 135.3° | 178.7° |
| H371 | C37 | C38 | H381 | 10.0° | 61.3° |
| H371 | C37 | C38 | H382 | 99.5° | 58.8° |
| H372 | C37 | C38 | C39 | 115.2° | 58.6° |
| H372 | C37 | C38 | H381 | 119.6° | 178.6° |
| H372 | C37 | C38 | H382 | 10.1° | 61.4° |
| C39 | C38 | H381 | H382 | 116.8° | 120.0° |
| C38 | C39 | C40 | H391 | 125.3° | 120.0° |
| C38 | C39 | C40 | H392 | 125.3° | 119.9° |
| C38 | C39 | H391 | H392 | 118.2° | 120.1° |
| C38 | C39 | C40 | H401 | 66.9° | 174.5° |
| C38 | C39 | C40 | H402 | 176.4° | 65.1° |
| H381 | C38 | C39 | C40 | 169.4° | 58.7° |
| H381 | C38 | C39 | H391 | 44.1° | 61.3° |
| H381 | C38 | C39 | H392 | 65.4° | 178.6° |
| H382 | C38 | C39 | C40 | 81.2° | 178.8° |
| H382 | C38 | C39 | H391 | 153.5° | 58.7° |
| H382 | C38 | C39 | H392 | 44.1° | 61.4° |
| C40 | C39 | H391 | H392 | 118.1° | 120.0° |
| C39 | C40 | H401 | H402 | 117.7° | 120.4° |
| H391 | C39 | C40 | H401 | 167.8° | 65.6° |
| H391 | C39 | C40 | H402 | 58.3° | 54.8° |
| H392 | C39 | C40 | H401 | 58.4° | 54.6° |
| H392 | C39 | C40 | H402 | 51.1° | 175.0° |
