DPD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C11 | C12 | doub | 1.38Å | 1.41Å | Aromatic |
| C11 | C16 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | C1 | sing | 1.51Å | 1.54Å | |
| C12 | C13 | sing | 1.38Å | 1.41Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| C13 | C14 | doub | 1.38Å | 1.40Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C14 | C15 | sing | 1.38Å | 1.40Å | Aromatic |
| C14 | H14 | sing | 1.08Å | 1.10Å | |
| C15 | C16 | doub | 1.38Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C21 | C22 | doub | 1.38Å | 1.41Å | Aromatic |
| C21 | C26 | sing | 1.38Å | 1.41Å | Aromatic |
| C21 | C1 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | H26 | sing | 1.08Å | 1.10Å | |
| C1 | C2 | sing | 1.53Å | 1.55Å | |
| C1 | H1 | sing | 1.09Å | 1.12Å | |
| C2 | C3 | sing | 1.53Å | 1.54Å | |
| C2 | H22A | sing | 1.09Å | 1.11Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C3 | N4 | sing | 1.47Å | 1.49Å | |
| C3 | H32A | sing | 1.09Å | 1.12Å | |
| C3 | H31 | sing | 1.09Å | 1.12Å | |
| N4 | C5 | sing | 1.47Å | 1.48Å | |
| N4 | H4 | sing | 1.01Å | 1.02Å | |
| C5 | C6 | sing | 1.53Å | 1.54Å | |
| C5 | H52 | sing | 1.09Å | 1.11Å | |
| C5 | H51 | sing | 1.09Å | 1.11Å | |
| C6 | C7 | sing | 1.53Å | 1.54Å | |
| C6 | H62 | sing | 1.09Å | 1.11Å | |
| C6 | H61 | sing | 1.09Å | 1.11Å | |
| C7 | N8 | sing | 1.47Å | 1.49Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| N8 | C9 | sing | 1.47Å | 1.49Å | |
| N8 | H8 | sing | 1.01Å | 1.02Å | |
| C9 | C19 | sing | 1.53Å | 1.55Å | |
| C9 | C31 | sing | 1.51Å | 1.53Å | |
| C9 | H9 | sing | 1.09Å | 1.11Å | |
| C19 | H193 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C31 | C32 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C36 | sing | 1.38Å | 1.41Å | Aromatic |
| C32 | C33 | sing | 1.39Å | 1.41Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.10Å | |
| C33 | C34 | doub | 1.39Å | 1.43Å | Aromatic |
| C33 | O3 | sing | 1.36Å | 1.38Å | |
| C34 | C35 | sing | 1.39Å | 1.42Å | Aromatic |
| C34 | O4 | sing | 1.36Å | 1.38Å | |
| C35 | C36 | doub | 1.38Å | 1.40Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.10Å | |
| C36 | H36 | sing | 1.08Å | 1.10Å | |
| O3 | C41 | sing | 1.43Å | 1.43Å | |
| C41 | C42 | sing | 1.53Å | 1.53Å | |
| C41 | H412 | sing | 1.09Å | 1.12Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C42 | C43 | sing | 1.53Å | 1.53Å | |
| C42 | H422 | sing | 1.09Å | 1.12Å | |
| C42 | H421 | sing | 1.09Å | 1.12Å | |
| C43 | C44 | sing | 1.53Å | 1.53Å | |
| C43 | H432 | sing | 1.09Å | 1.11Å | |
| C43 | H431 | sing | 1.09Å | 1.11Å | |
| C44 | H443 | sing | 1.09Å | 1.12Å | |
| C44 | H442 | sing | 1.09Å | 1.11Å | |
| C44 | H441 | sing | 1.09Å | 1.12Å | |
| O4 | C51 | sing | 1.43Å | 1.42Å | |
| C51 | C52 | sing | 1.53Å | 1.53Å | |
| C51 | H512 | sing | 1.09Å | 1.12Å | |
| C51 | H511 | sing | 1.09Å | 1.11Å | |
| C52 | C53 | sing | 1.53Å | 1.54Å | |
| C52 | H522 | sing | 1.09Å | 1.12Å | |
| C52 | H521 | sing | 1.09Å | 1.11Å | |
| C53 | C54 | sing | 1.53Å | 1.53Å | |
| C53 | H532 | sing | 1.09Å | 1.12Å | |
| C53 | H531 | sing | 1.09Å | 1.11Å | |
| C54 | H543 | sing | 1.09Å | 1.11Å | |
| C54 | H542 | sing | 1.09Å | 1.11Å | |
| C54 | H541 | sing | 1.09Å | 1.11Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C12 | C11 | C16 | 117.8° | 119.9° |
| C12 | C11 | C1 | 121.4° | 120.0° |
| C11 | C12 | C13 | 121.2° | 120.0° |
| C11 | C12 | H12 | 119.7° | 119.9° |
| C16 | C11 | C1 | 120.8° | 120.0° |
| C11 | C16 | C15 | 121.1° | 120.0° |
| C11 | C16 | H16 | 119.6° | 120.0° |
| C11 | C1 | C21 | 110.0° | 109.5° |
| C11 | C1 | C2 | 111.3° | 109.5° |
| C11 | C1 | H1 | 109.3° | 109.4° |
| C13 | C12 | H12 | 119.1° | 120.0° |
| C12 | C13 | C14 | 120.0° | 120.0° |
| C12 | C13 | H13 | 120.3° | 120.0° |
| C14 | C13 | H13 | 119.8° | 120.0° |
| C13 | C14 | C15 | 119.6° | 120.0° |
| C13 | C14 | H14 | 120.1° | 120.0° |
| C15 | C14 | H14 | 120.3° | 120.0° |
| C14 | C15 | C16 | 120.2° | 120.0° |
| C14 | C15 | H15 | 119.8° | 120.0° |
| C16 | C15 | H15 | 120.0° | 120.0° |
| C15 | C16 | H16 | 119.3° | 120.0° |
| C22 | C21 | C26 | 118.2° | 120.0° |
| C22 | C21 | C1 | 121.2° | 120.0° |
| C21 | C22 | C23 | 120.9° | 120.0° |
| C21 | C22 | H22 | 119.8° | 120.0° |
| C26 | C21 | C1 | 120.6° | 120.0° |
| C21 | C26 | C25 | 121.0° | 120.0° |
| C21 | C26 | H26 | 119.8° | 120.0° |
| C21 | C1 | C2 | 113.3° | 109.5° |
| C21 | C1 | H1 | 107.1° | 109.5° |
| C23 | C22 | H22 | 119.3° | 120.0° |
| C22 | C23 | C24 | 120.2° | 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 | 120.3° | 120.0° |
| C25 | C24 | H24 | 120.0° | 120.0° |
| C24 | C25 | C26 | 120.0° | 120.0° |
| C24 | C25 | H25 | 119.8° | 120.0° |
| C26 | C25 | H25 | 120.1° | 120.0° |
| C25 | C26 | H26 | 119.2° | 120.0° |
| C2 | C1 | H1 | 105.7° | 109.5° |
| C1 | C2 | C3 | 116.5° | 109.5° |
| C1 | C2 | H22A | 109.6° | 109.5° |
| C1 | C2 | H21 | 109.6° | 109.5° |
| C3 | C2 | H22A | 109.7° | 109.4° |
| C3 | C2 | H21 | 109.7° | 109.5° |
| C2 | C3 | N4 | 115.6° | 109.5° |
| C2 | C3 | H32A | 110.0° | 109.4° |
| C2 | C3 | H31 | 110.0° | 109.5° |
| H22A | C2 | H21 | 100.5° | 109.5° |
| N4 | C3 | H32A | 110.0° | 109.5° |
| N4 | C3 | H31 | 110.0° | 109.5° |
| C3 | N4 | C5 | 117.3° | 106.8° |
| C3 | N4 | H4 | 109.3° | 106.7° |
| H32A | C3 | H31 | 100.2° | 109.5° |
| C5 | N4 | H4 | 109.4° | 106.7° |
| N4 | C5 | C6 | 114.2° | 109.6° |
| N4 | C5 | H52 | 110.5° | 109.4° |
| N4 | C5 | H51 | 110.4° | 109.5° |
| C6 | C5 | H52 | 110.5° | 109.5° |
| C6 | C5 | H51 | 110.5° | 109.5° |
| C5 | C6 | C7 | 113.9° | 109.5° |
| C5 | C6 | H62 | 110.5° | 109.4° |
| C5 | C6 | H61 | 110.5° | 109.4° |
| H52 | C5 | H51 | 99.8° | 109.4° |
| C7 | C6 | H62 | 110.6° | 109.5° |
| C7 | C6 | H61 | 110.6° | 109.6° |
| C6 | C7 | N8 | 114.5° | 109.5° |
| C6 | C7 | H72 | 110.3° | 109.4° |
| C6 | C7 | H71 | 110.3° | 109.5° |
| H62 | C6 | H61 | 99.7° | 109.4° |
| N8 | C7 | H72 | 110.3° | 109.4° |
| N8 | C7 | H71 | 110.4° | 109.5° |
| C7 | N8 | C9 | 118.2° | 106.8° |
| C7 | N8 | H8 | 109.1° | 106.7° |
| H72 | C7 | H71 | 100.0° | 109.5° |
| C9 | N8 | H8 | 109.0° | 106.7° |
| N8 | C9 | C19 | 112.7° | 109.5° |
| N8 | C9 | C31 | 110.8° | 109.5° |
| N8 | C9 | H9 | 107.0° | 109.5° |
| C19 | C9 | C31 | 111.6° | 109.5° |
| C19 | C9 | H9 | 106.2° | 109.4° |
| C9 | C19 | H193 | 112.7° | 109.5° |
| C9 | C19 | H192 | 111.0° | 109.5° |
| C9 | C19 | H191 | 111.0° | 109.5° |
| C31 | C9 | H9 | 108.2° | 109.5° |
| C9 | C31 | C32 | 121.2° | 119.9° |
| C9 | C31 | C36 | 121.2° | 119.9° |
| H193 | C19 | H192 | 111.0° | 109.5° |
| H193 | C19 | H191 | 111.1° | 109.5° |
| H192 | C19 | H191 | 99.3° | 109.5° |
| C32 | C31 | C36 | 117.6° | 120.1° |
| C31 | C32 | C33 | 122.2° | 120.0° |
| C31 | C32 | H32 | 119.1° | 120.0° |
| C31 | C36 | C35 | 120.8° | 120.2° |
| C31 | C36 | H36 | 120.1° | 119.9° |
| C33 | C32 | H32 | 118.6° | 120.0° |
| C32 | C33 | C34 | 120.0° | 119.8° |
| C32 | C33 | O3 | 114.8° | 120.1° |
| C34 | C33 | O3 | 125.2° | 120.1° |
| C33 | C34 | C35 | 117.3° | 119.9° |
| C33 | C34 | O4 | 122.5° | 120.1° |
| C33 | O3 | C41 | 121.2° | 106.8° |
| C35 | C34 | O4 | 120.3° | 120.1° |
| C34 | C35 | C36 | 122.1° | 120.0° |
| C34 | C35 | H35 | 119.5° | 120.0° |
| C34 | O4 | C51 | 121.3° | 106.8° |
| C36 | C35 | H35 | 118.4° | 120.0° |
| C35 | C36 | H36 | 119.1° | 119.9° |
| O3 | C41 | C42 | 111.5° | 109.5° |
| O3 | C41 | H412 | 111.5° | 109.5° |
| O3 | C41 | H411 | 111.5° | 109.5° |
| C42 | C41 | H412 | 111.4° | 109.4° |
| C42 | C41 | H411 | 111.4° | 109.5° |
| C41 | C42 | C43 | 113.2° | 109.5° |
| C41 | C42 | H422 | 110.8° | 109.4° |
| C41 | C42 | H421 | 110.9° | 109.5° |
| H412 | C41 | H411 | 98.9° | 109.5° |
| C43 | C42 | H422 | 110.9° | 109.5° |
| C43 | C42 | H421 | 110.9° | 109.5° |
| C42 | C43 | C44 | 113.4° | 109.5° |
| C42 | C43 | H432 | 110.8° | 109.5° |
| C42 | C43 | H431 | 110.8° | 109.5° |
| H422 | C42 | H421 | 99.4° | 109.4° |
| C44 | C43 | H432 | 110.8° | 109.5° |
| C44 | C43 | H431 | 110.8° | 109.4° |
| C43 | C44 | H443 | 113.4° | 109.5° |
| C43 | C44 | H442 | 110.8° | 109.5° |
| C43 | C44 | H441 | 110.8° | 109.5° |
| H432 | C43 | H431 | 99.6° | 109.5° |
| H443 | C44 | H442 | 110.8° | 109.5° |
| H443 | C44 | H441 | 110.8° | 109.4° |
| H442 | C44 | H441 | 99.5° | 109.5° |
| O4 | C51 | C52 | 110.7° | 109.5° |
| O4 | C51 | H512 | 111.8° | 109.5° |
| O4 | C51 | H511 | 111.8° | 109.4° |
| C52 | C51 | H512 | 111.7° | 109.5° |
| C52 | C51 | H511 | 111.7° | 109.5° |
| C51 | C52 | C53 | 113.8° | 109.5° |
| C51 | C52 | H522 | 110.7° | 109.5° |
| C51 | C52 | H521 | 110.6° | 109.5° |
| H512 | C51 | H511 | 98.7° | 109.5° |
| C53 | C52 | H522 | 110.6° | 109.5° |
| C53 | C52 | H521 | 110.6° | 109.5° |
| C52 | C53 | C54 | 113.6° | 109.5° |
| C52 | C53 | H532 | 110.7° | 109.5° |
| C52 | C53 | H531 | 110.7° | 109.5° |
| H522 | C52 | H521 | 99.7° | 109.4° |
| C54 | C53 | H532 | 110.7° | 109.5° |
| C54 | C53 | H531 | 110.6° | 109.5° |
| C53 | C54 | H543 | 113.6° | 109.5° |
| C53 | C54 | H542 | 110.7° | 109.4° |
| C53 | C54 | H541 | 110.7° | 109.5° |
| H532 | C53 | H531 | 99.6° | 109.5° |
| H543 | C54 | H542 | 110.7° | 109.5° |
| H543 | C54 | H541 | 110.6° | 109.5° |
| H542 | C54 | H541 | 99.6° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C12 | C11 | C16 | C1 | 179.8° | 179.8° |
| C11 | C12 | C13 | H12 | 179.9° | 180.0° |
| C11 | C12 | C13 | C14 | 0.0° | 0.0° |
| C11 | C12 | C13 | H13 | 180.0° | 179.9° |
| C12 | C11 | C16 | C15 | 0.0° | 0.4° |
| C12 | C11 | C16 | H16 | 180.0° | 180.0° |
| C12 | C11 | C1 | C21 | 24.9° | 67.9° |
| C12 | C11 | C1 | C2 | 101.5° | 52.1° |
| C12 | C11 | C1 | H1 | 142.1° | 172.1° |
| C16 | C11 | C12 | C13 | 0.0° | 0.2° |
| C16 | C11 | C12 | H12 | 179.9° | 179.8° |
| C11 | C16 | C15 | C14 | 0.0° | 0.4° |
| C11 | C16 | C15 | H16 | 180.0° | 179.6° |
| C11 | C16 | C15 | H15 | 180.0° | 179.7° |
| C16 | C11 | C1 | C21 | 154.9° | 111.9° |
| C16 | C11 | C1 | C2 | 78.7° | 128.1° |
| C16 | C11 | C1 | H1 | 37.7° | 8.1° |
| C1 | C11 | C12 | C13 | 179.8° | 180.0° |
| C1 | C11 | C12 | H12 | 0.1° | 0.0° |
| C1 | C11 | C16 | C15 | 179.8° | 179.8° |
| C1 | C11 | C16 | H16 | 0.1° | 0.2° |
| C11 | C1 | C21 | C22 | 93.0° | 112.1° |
| C11 | C1 | C21 | C26 | 86.8° | 67.7° |
| C11 | C1 | C21 | C2 | 125.2° | 120.0° |
| C11 | C1 | C21 | H1 | 118.6° | 120.0° |
| C11 | C1 | C2 | H1 | 118.5° | 120.0° |
| C11 | C1 | C2 | C3 | 177.3° | 180.0° |
| C11 | C1 | C2 | H22A | 57.5° | 60.0° |
| C11 | C1 | C2 | H21 | 52.0° | 60.0° |
| C12 | C13 | C14 | H13 | 179.9° | 179.9° |
| C12 | C13 | C14 | C15 | 0.0° | 0.0° |
| C12 | C13 | C14 | H14 | 179.9° | 179.9° |
| H12 | C12 | C13 | C14 | 179.9° | 180.0° |
| H12 | C12 | C13 | H13 | 0.0° | 0.1° |
| C13 | C14 | C15 | H14 | 180.0° | 179.9° |
| C13 | C14 | C15 | C16 | 0.0° | 0.2° |
| C13 | C14 | C15 | H15 | 180.0° | 180.0° |
| H13 | C13 | C14 | C15 | 180.0° | 180.0° |
| H13 | C13 | C14 | H14 | 0.0° | 0.0° |
| C14 | C15 | C16 | H15 | 179.9° | 179.9° |
| C14 | C15 | C16 | H16 | 179.9° | 180.0° |
| H14 | C14 | C15 | C16 | 179.9° | 179.9° |
| H14 | C14 | C15 | H15 | 0.0° | 0.0° |
| H15 | C15 | C16 | H16 | 0.0° | 0.1° |
| C22 | C21 | C26 | C1 | 179.8° | 179.7° |
| C21 | C22 | C23 | H22 | 180.0° | 179.9° |
| C21 | C22 | C23 | C24 | 0.0° | 0.1° |
| C21 | C22 | C23 | H23 | 180.0° | 179.9° |
| C22 | C21 | C26 | C25 | 0.0° | 0.5° |
| C22 | C21 | C26 | H26 | 180.0° | 179.9° |
| C22 | C21 | C1 | C2 | 32.3° | 127.9° |
| C22 | C21 | C1 | H1 | 148.4° | 7.9° |
| C26 | C21 | C22 | C23 | 0.0° | 0.3° |
| C26 | C21 | C22 | H22 | 180.0° | 179.8° |
| C21 | C26 | C25 | C24 | 0.0° | 0.4° |
| C21 | C26 | C25 | H26 | 180.0° | 179.6° |
| C21 | C26 | C25 | H25 | 180.0° | 179.8° |
| C26 | C21 | C1 | C2 | 148.0° | 52.3° |
| C26 | C21 | C1 | H1 | 31.8° | 172.4° |
| C1 | C21 | C22 | C23 | 179.8° | 180.0° |
| C1 | C21 | C22 | H22 | 0.2° | 0.0° |
| C1 | C21 | C26 | C25 | 179.8° | 179.8° |
| C1 | C21 | C26 | H26 | 0.2° | 0.2° |
| C21 | C1 | C2 | H1 | 116.9° | 120.0° |
| C21 | C1 | C2 | C3 | 58.2° | 60.0° |
| C21 | C1 | C2 | H22A | 67.1° | 180.0° |
| C21 | C1 | C2 | H21 | 176.5° | 60.0° |
| C22 | C23 | C24 | H23 | 180.0° | 180.0° |
| C22 | C23 | C24 | C25 | 0.0° | 0.0° |
| C22 | C23 | C24 | H24 | 180.0° | 180.0° |
| H22 | C22 | C23 | C24 | 180.0° | 180.0° |
| H22 | C22 | C23 | H23 | 0.0° | 0.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.2° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| H23 | C23 | C24 | C25 | 180.0° | 180.0° |
| H23 | C23 | C24 | H24 | 0.0° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 179.8° |
| C24 | C25 | C26 | H26 | 180.0° | 180.0° |
| H24 | C24 | C25 | C26 | 180.0° | 179.8° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| H25 | C25 | C26 | H26 | 0.0° | 0.2° |
| C1 | C2 | C3 | H22A | 125.2° | 120.0° |
| C1 | C2 | C3 | H21 | 125.2° | 120.0° |
| C1 | C2 | H22A | H21 | 115.4° | 120.0° |
| C1 | C2 | C3 | N4 | 133.6° | 180.0° |
| C1 | C2 | C3 | H32A | 101.1° | 60.0° |
| C1 | C2 | C3 | H31 | 8.3° | 60.0° |
| H1 | C1 | C2 | C3 | 58.7° | 60.0° |
| H1 | C1 | C2 | H22A | 176.0° | 59.9° |
| H1 | C1 | C2 | H21 | 66.5° | 179.9° |
| C3 | C2 | H22A | H21 | 115.5° | 119.9° |
| C2 | C3 | N4 | H32A | 125.3° | 120.0° |
| C2 | C3 | N4 | H31 | 125.3° | 120.0° |
| C2 | C3 | H32A | H31 | 115.8° | 119.9° |
| C2 | C3 | N4 | C5 | 28.5° | 180.0° |
| C2 | C3 | N4 | H4 | 96.8° | 66.2° |
| H22A | C2 | C3 | N4 | 8.3° | 60.0° |
| H22A | C2 | C3 | H32A | 133.6° | NaN° |
| H22A | C2 | C3 | H31 | 116.9° | 60.1° |
| H21 | C2 | C3 | N4 | 101.2° | 59.9° |
| H21 | C2 | C3 | H32A | 24.1° | 60.1° |
| H21 | C2 | C3 | H31 | 133.5° | 180.0° |
| N4 | C3 | H32A | H31 | 115.8° | 120.0° |
| C3 | N4 | C5 | H4 | 125.2° | 113.8° |
| C3 | N4 | C5 | C6 | 153.1° | 180.0° |
| C3 | N4 | C5 | H52 | 81.6° | 60.0° |
| C3 | N4 | C5 | H51 | 27.8° | 59.9° |
| H32A | C3 | N4 | C5 | 96.8° | 60.1° |
| H32A | C3 | N4 | H4 | 138.0° | 173.8° |
| H31 | C3 | N4 | C5 | 153.8° | 59.9° |
| H31 | C3 | N4 | H4 | 28.5° | 53.8° |
| N4 | C5 | C6 | H52 | 125.3° | 120.0° |
| N4 | C5 | C6 | H51 | 125.3° | 120.1° |
| N4 | C5 | H52 | H51 | 116.3° | 120.0° |
| N4 | C5 | C6 | C7 | 125.7° | 180.0° |
| N4 | C5 | C6 | H62 | 109.0° | 60.0° |
| N4 | C5 | C6 | H61 | 0.5° | 59.9° |
| H4 | N4 | C5 | C6 | 81.7° | 66.2° |
| H4 | N4 | C5 | H52 | 43.6° | 173.8° |
| H4 | N4 | C5 | H51 | 153.0° | 53.8° |
| C6 | C5 | H52 | H51 | 116.4° | 120.0° |
| C5 | C6 | C7 | H62 | 125.2° | 120.0° |
| C5 | C6 | C7 | H61 | 125.2° | 120.0° |
| C5 | C6 | H62 | H61 | 116.4° | 119.9° |
| C5 | C6 | C7 | N8 | 61.7° | 180.0° |
| C5 | C6 | C7 | H72 | 63.5° | 60.1° |
| C5 | C6 | C7 | H71 | 173.0° | 60.0° |
| H52 | C5 | C6 | C7 | 0.5° | 60.0° |
| H52 | C5 | C6 | H62 | 125.8° | 180.0° |
| H52 | C5 | C6 | H61 | 124.8° | 60.1° |
| H51 | C5 | C6 | C7 | 109.0° | 59.9° |
| H51 | C5 | C6 | H62 | 16.3° | 60.1° |
| H51 | C5 | C6 | H61 | 125.8° | 180.0° |
| C7 | C6 | H62 | H61 | 116.5° | 120.1° |
| C6 | C7 | N8 | H72 | 125.2° | 119.9° |
| C6 | C7 | N8 | H71 | 125.2° | 120.0° |
| C6 | C7 | H72 | H71 | 116.2° | 120.1° |
| C6 | C7 | N8 | C9 | 67.4° | 180.0° |
| C6 | C7 | N8 | H8 | 167.3° | 66.2° |
| H62 | C6 | C7 | N8 | 173.0° | 60.0° |
| H62 | C6 | C7 | H72 | 61.8° | 179.9° |
| H62 | C6 | C7 | H71 | 47.7° | 60.0° |
| H61 | C6 | C7 | N8 | 63.5° | 60.0° |
| H61 | C6 | C7 | H72 | 171.3° | 59.9° |
| H61 | C6 | C7 | H71 | 61.8° | 180.0° |
| N8 | C7 | H72 | H71 | 116.2° | 120.0° |
| C7 | N8 | C9 | H8 | 125.3° | 113.8° |
| C7 | N8 | C9 | C19 | 126.2° | 90.0° |
| C7 | N8 | C9 | C31 | 107.9° | 150.0° |
| C7 | N8 | C9 | H9 | 9.8° | 30.0° |
| H72 | C7 | N8 | C9 | 167.4° | 60.0° |
| H72 | C7 | N8 | H8 | 42.1° | 173.8° |
| H71 | C7 | N8 | C9 | 57.9° | 60.0° |
| H71 | C7 | N8 | H8 | 67.4° | 53.8° |
| N8 | C9 | C19 | C31 | 125.4° | 120.0° |
| N8 | C9 | C19 | H9 | 116.9° | 120.0° |
| N8 | C9 | C31 | H9 | 117.0° | 120.0° |
| N8 | C9 | C19 | H193 | 180.0° | 60.0° |
| N8 | C9 | C19 | H192 | 54.8° | 60.0° |
| N8 | C9 | C19 | H191 | 54.7° | 180.0° |
| N8 | C9 | C31 | C32 | 81.9° | 150.0° |
| N8 | C9 | C31 | C36 | 98.3° | 30.0° |
| H8 | N8 | C9 | C19 | 0.8° | 23.8° |
| H8 | N8 | C9 | C31 | 126.7° | 96.2° |
| H8 | N8 | C9 | H9 | 115.5° | 143.8° |
| C19 | C9 | C31 | H9 | 116.5° | 120.0° |
| C9 | C19 | H193 | H192 | 125.2° | 120.0° |
| C9 | C19 | H193 | H191 | 125.3° | 120.0° |
| C9 | C19 | H192 | H191 | 116.9° | 120.0° |
| C19 | C9 | C31 | C32 | 44.6° | 90.0° |
| C19 | C9 | C31 | C36 | 135.2° | 90.0° |
| C31 | C9 | C19 | H193 | 54.5° | 60.0° |
| C31 | C9 | C19 | H192 | 70.7° | 180.0° |
| C31 | C9 | C19 | H191 | 179.8° | 60.0° |
| C9 | C31 | C32 | C36 | 179.8° | 180.0° |
| C9 | C31 | C32 | C33 | 179.9° | 179.7° |
| C9 | C31 | C32 | H32 | 0.0° | 0.0° |
| C9 | C31 | C36 | C35 | 180.0° | 180.0° |
| C9 | C31 | C36 | H36 | 0.0° | 0.0° |
| H9 | C9 | C19 | H193 | 63.2° | 180.0° |
| H9 | C9 | C19 | H192 | 171.6° | 60.0° |
| H9 | C9 | C19 | H191 | 62.2° | 60.0° |
| H9 | C9 | C31 | C32 | 161.1° | 30.0° |
| H9 | C9 | C31 | C36 | 18.7° | 150.0° |
| H193 | C19 | H192 | H191 | 117.0° | 120.0° |
| C31 | C32 | C33 | H32 | 180.0° | 179.8° |
| C31 | C32 | C33 | C34 | 0.0° | 0.6° |
| C31 | C32 | C33 | O3 | 180.0° | 179.9° |
| C32 | C31 | C36 | C35 | 0.2° | 0.0° |
| C32 | C31 | C36 | H36 | 179.7° | 180.0° |
| C36 | C31 | C32 | C33 | 0.2° | 0.3° |
| C36 | C31 | C32 | H32 | 179.8° | 180.0° |
| C31 | C36 | C35 | C34 | 0.2° | 0.1° |
| C31 | C36 | C35 | H36 | 180.0° | 180.0° |
| C31 | C36 | C35 | H35 | 179.8° | 180.0° |
| C32 | C33 | C34 | O3 | 180.0° | 179.4° |
| C32 | C33 | C34 | C35 | 0.1° | 0.6° |
| C32 | C33 | C34 | O4 | 180.0° | 179.7° |
| C32 | C33 | O3 | C41 | 139.6° | 0.0° |
| H32 | C32 | C33 | C34 | 180.0° | 179.7° |
| H32 | C32 | C33 | O3 | 0.0° | 0.3° |
| C33 | C34 | C35 | O4 | 180.0° | 179.7° |
| C33 | C34 | C35 | C36 | 0.0° | 0.4° |
| C33 | C34 | C35 | H35 | 180.0° | 179.7° |
| C34 | C33 | O3 | C41 | 40.4° | 179.4° |
| C33 | C34 | O4 | C51 | 150.5° | 179.7° |
| O3 | C33 | C34 | C35 | 179.9° | 180.0° |
| O3 | C33 | C34 | O4 | 0.1° | 0.3° |
| C33 | O3 | C41 | C42 | 135.5° | 180.0° |
| C33 | O3 | C41 | H412 | 99.3° | 60.0° |
| C33 | O3 | C41 | H411 | 10.3° | 60.0° |
| C34 | C35 | C36 | H35 | 180.0° | 179.9° |
| C34 | C35 | C36 | H36 | 179.8° | 179.9° |
| C35 | C34 | O4 | C51 | 29.5° | 0.0° |
| O4 | C34 | C35 | C36 | 180.0° | 180.0° |
| O4 | C34 | C35 | H35 | 0.1° | 0.1° |
| C34 | O4 | C51 | C52 | 172.2° | 180.0° |
| C34 | O4 | C51 | H512 | 62.6° | 60.0° |
| C34 | O4 | C51 | H511 | 47.0° | 60.0° |
| H35 | C35 | C36 | H36 | 0.2° | 0.1° |
| O3 | C41 | C42 | H412 | 125.3° | 120.0° |
| O3 | C41 | C42 | H411 | 125.3° | 120.0° |
| O3 | C41 | H412 | H411 | 117.4° | 120.0° |
| O3 | C41 | C42 | C43 | 97.3° | 180.0° |
| O3 | C41 | C42 | H422 | 137.4° | 60.0° |
| O3 | C41 | C42 | H421 | 28.0° | 59.9° |
| C42 | C41 | H412 | H411 | 117.3° | 120.0° |
| C41 | C42 | C43 | H422 | 125.3° | 120.0° |
| C41 | C42 | C43 | H421 | 125.3° | 120.0° |
| C41 | C42 | H422 | H421 | 116.7° | 120.0° |
| C41 | C42 | C43 | C44 | 172.5° | 179.9° |
| C41 | C42 | C43 | H432 | 62.2° | 60.0° |
| C41 | C42 | C43 | H431 | 47.3° | 60.0° |
| H412 | C41 | C42 | C43 | 28.0° | 60.0° |
| H412 | C41 | C42 | H422 | 97.3° | 180.0° |
| H412 | C41 | C42 | H421 | 153.3° | 60.1° |
| H411 | C41 | C42 | C43 | 137.5° | 60.0° |
| H411 | C41 | C42 | H422 | 12.2° | 60.0° |
| H411 | C41 | C42 | H421 | 97.2° | 179.9° |
| C43 | C42 | H422 | H421 | 116.7° | 120.1° |
| C42 | C43 | C44 | H432 | 125.2° | 120.0° |
| C42 | C43 | C44 | H431 | 125.3° | 120.0° |
| C42 | C43 | H432 | H431 | 116.7° | 120.0° |
| C42 | C43 | C44 | H443 | 180.0° | 180.0° |
| C42 | C43 | C44 | H442 | 54.7° | 60.0° |
| C42 | C43 | C44 | H441 | 54.7° | 60.0° |
| H422 | C42 | C43 | C44 | 47.2° | 60.0° |
| H422 | C42 | C43 | H432 | 172.5° | 180.0° |
| H422 | C42 | C43 | H431 | 78.0° | 60.0° |
| H421 | C42 | C43 | C44 | 62.2° | 60.0° |
| H421 | C42 | C43 | H432 | 63.0° | 60.0° |
| H421 | C42 | C43 | H431 | 172.5° | 180.0° |
| C44 | C43 | H432 | H431 | 116.6° | 120.0° |
| C43 | C44 | H443 | H442 | 125.3° | 120.0° |
| C43 | C44 | H443 | H441 | 125.3° | 120.0° |
| C43 | C44 | H442 | H441 | 116.6° | 120.0° |
| H432 | C43 | C44 | H443 | 54.7° | 59.9° |
| H432 | C43 | C44 | H442 | 179.9° | 180.0° |
| H432 | C43 | C44 | H441 | 70.5° | 60.0° |
| H431 | C43 | C44 | H443 | 54.7° | 60.1° |
| H431 | C43 | C44 | H442 | 70.6° | 60.0° |
| H431 | C43 | C44 | H441 | 180.0° | 180.0° |
| H443 | C44 | H442 | H441 | 116.6° | 120.0° |
| O4 | C51 | C52 | H512 | 125.3° | 120.0° |
| O4 | C51 | C52 | H511 | 125.3° | 120.0° |
| O4 | C51 | H512 | H511 | 117.7° | 120.0° |
| O4 | C51 | C52 | C53 | 159.0° | 180.0° |
| O4 | C51 | C52 | H522 | 33.8° | 60.0° |
| O4 | C51 | C52 | H521 | 75.8° | 60.0° |
| C52 | C51 | H512 | H511 | 117.6° | 120.0° |
| C51 | C52 | C53 | H522 | 125.3° | 120.0° |
| C51 | C52 | C53 | H521 | 125.2° | 120.0° |
| C51 | C52 | H522 | H521 | 116.5° | 120.0° |
| C51 | C52 | C53 | C54 | 125.1° | 180.0° |
| C51 | C52 | C53 | H532 | 109.7° | 60.0° |
| C51 | C52 | C53 | H531 | 0.2° | 60.0° |
| H512 | C51 | C52 | C53 | 75.8° | 60.0° |
| H512 | C51 | C52 | H522 | 159.0° | 180.0° |
| H512 | C51 | C52 | H521 | 49.5° | 60.1° |
| H511 | C51 | C52 | C53 | 33.7° | 60.0° |
| H511 | C51 | C52 | H522 | 91.5° | 60.0° |
| H511 | C51 | C52 | H521 | 158.9° | 180.0° |
| C53 | C52 | H522 | H521 | 116.5° | 120.0° |
| C52 | C53 | C54 | H532 | 125.3° | 120.0° |
| C52 | C53 | C54 | H531 | 125.3° | 120.0° |
| C52 | C53 | H532 | H531 | 116.6° | 120.0° |
| C52 | C53 | C54 | H543 | 179.9° | 180.0° |
| C52 | C53 | C54 | H542 | 54.7° | 60.0° |
| C52 | C53 | C54 | H541 | 54.8° | 60.0° |
| H522 | C52 | C53 | C54 | 0.2° | 60.0° |
| H522 | C52 | C53 | H532 | 125.0° | 180.0° |
| H522 | C52 | C53 | H531 | 125.4° | 60.0° |
| H521 | C52 | C53 | C54 | 109.7° | 60.0° |
| H521 | C52 | C53 | H532 | 15.5° | 60.1° |
| H521 | C52 | C53 | H531 | 125.1° | 180.0° |
| C54 | C53 | H532 | H531 | 116.5° | 120.0° |
| C53 | C54 | H543 | H542 | 125.3° | 120.0° |
| C53 | C54 | H543 | H541 | 125.2° | 120.1° |
| C53 | C54 | H542 | H541 | 116.6° | 120.0° |
| H532 | C53 | C54 | H543 | 54.7° | 59.9° |
| H532 | C53 | C54 | H542 | 180.0° | 60.1° |
| H532 | C53 | C54 | H541 | 70.5° | 180.0° |
| H531 | C53 | C54 | H543 | 54.8° | 60.0° |
| H531 | C53 | C54 | H542 | 70.5° | 180.0° |
| H531 | C53 | C54 | H541 | 180.0° | 60.0° |
| H543 | C54 | H542 | H541 | 116.5° | 120.0° |
