SDK
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.40Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.39Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.51Å | |
| C5 | C6 | doub | 1.38Å | 1.39Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O8 | sing | 1.45Å | 1.44Å | |
| C7 | H71 | sing | 1.09Å | 1.11Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O8 | C9 | sing | 1.35Å | 1.40Å | |
| C9 | O10 | doub | 1.22Å | 1.24Å | |
| C9 | N20 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.53Å | 1.53Å | |
| C11 | C16 | sing | 1.51Å | 1.53Å | |
| C11 | N20 | sing | 1.46Å | 1.48Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.53Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.11Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | C15 | sing | 1.53Å | 1.54Å | |
| C13 | H13 | sing | 1.09Å | 1.12Å | |
| C14 | H141 | sing | 1.09Å | 1.12Å | |
| C14 | H142 | sing | 1.09Å | 1.11Å | |
| C14 | H143 | sing | 1.09Å | 1.11Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.11Å | |
| C15 | H153 | sing | 1.09Å | 1.12Å | |
| C16 | O17 | doub | 1.21Å | 1.24Å | |
| C16 | N18 | sing | 1.35Å | 1.33Å | |
| N18 | C19 | sing | 1.46Å | 1.47Å | |
| N18 | HN8 | sing | 0.97Å | 1.02Å | |
| C19 | C21 | sing | 1.51Å | 1.51Å | |
| C19 | H191 | sing | 1.09Å | 1.12Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| N20 | HN2 | sing | 0.97Å | 1.02Å | |
| C21 | O22 | doub | 1.21Å | 1.23Å | |
| C21 | C41 | sing | 1.51Å | 1.49Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.10Å | |
| C24 | C25 | sing | 1.38Å | 1.38Å | Aromatic |
| C24 | H24 | sing | 1.08Å | 1.10Å | |
| C25 | C26 | doub | 1.38Å | 1.40Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | C29 | sing | 1.51Å | 1.51Å | |
| C27 | C28 | doub | 1.38Å | 1.39Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | O30 | sing | 1.45Å | 1.44Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.11Å | |
| O30 | C31 | sing | 1.35Å | 1.42Å | |
| C31 | O32 | doub | 1.21Å | 1.23Å | |
| C31 | N42 | sing | 1.35Å | 1.33Å | |
| C33 | C34 | sing | 1.53Å | 1.53Å | |
| C33 | C38 | sing | 1.51Å | 1.52Å | |
| C33 | N42 | sing | 1.46Å | 1.47Å | |
| C33 | H33 | sing | 1.09Å | 1.12Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.53Å | 1.53Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| C35 | H35 | sing | 1.09Å | 1.11Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C36 | H363 | sing | 1.09Å | 1.12Å | |
| C37 | H371 | sing | 1.09Å | 1.12Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C37 | H373 | sing | 1.09Å | 1.11Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| C38 | N40 | sing | 1.35Å | 1.33Å | |
| N40 | C41 | sing | 1.46Å | 1.46Å | |
| N40 | HN4 | sing | 0.97Å | 1.02Å | |
| C41 | H411 | sing | 1.09Å | 1.11Å | |
| C41 | H412 | sing | 1.09Å | 1.11Å | |
| N42 | HN | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.8° | 120.0° |
| C2 | C1 | H1 | 120.7° | 120.0° |
| C1 | C2 | C3 | 120.1° | 120.0° |
| C1 | C2 | H2 | 120.2° | 120.0° |
| C6 | C1 | H1 | 119.5° | 119.9° |
| C1 | C6 | C5 | 119.6° | 120.0° |
| C1 | C6 | H6 | 119.8° | 120.1° |
| C3 | C2 | H2 | 119.7° | 119.9° |
| C2 | C3 | C4 | 120.5° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.1° |
| C4 | C3 | H3 | 119.5° | 120.0° |
| C3 | C4 | C5 | 118.9° | 120.0° |
| C3 | C4 | C7 | 120.6° | 120.0° |
| C5 | C4 | C7 | 120.5° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C4 | C5 | H5 | 119.5° | 120.0° |
| C4 | C7 | O8 | 115.2° | 109.5° |
| C4 | C7 | H71 | 110.1° | 109.5° |
| C4 | C7 | H72 | 110.1° | 109.4° |
| C6 | C5 | H5 | 119.3° | 120.0° |
| C5 | C6 | H6 | 120.5° | 120.0° |
| O8 | C7 | H71 | 110.2° | 109.5° |
| O8 | C7 | H72 | 110.2° | 109.5° |
| C7 | O8 | C9 | 115.7° | 120.0° |
| H71 | C7 | H72 | 100.1° | 109.5° |
| O8 | C9 | O10 | 120.5° | 120.0° |
| O8 | C9 | N20 | 115.2° | 120.1° |
| O10 | C9 | N20 | 124.2° | 119.9° |
| C9 | N20 | C11 | 125.0° | 120.1° |
| C9 | N20 | HN2 | 112.0° | 120.0° |
| C12 | C11 | C16 | 109.4° | 109.5° |
| C12 | C11 | N20 | 112.2° | 109.5° |
| C12 | C11 | H11 | 113.3° | 109.4° |
| C11 | C12 | C13 | 117.5° | 109.5° |
| C11 | C12 | H121 | 109.3° | 109.5° |
| C11 | C12 | H122 | 109.3° | 109.4° |
| C16 | C11 | N20 | 121.5° | 109.5° |
| C16 | C11 | H11 | 101.5° | 109.5° |
| C11 | C16 | O17 | 119.4° | 119.9° |
| C11 | C16 | N18 | 119.2° | 120.1° |
| N20 | C11 | H11 | 97.8° | 109.5° |
| C11 | N20 | HN2 | 122.9° | 120.0° |
| C13 | C12 | H121 | 109.3° | 109.5° |
| C13 | C12 | H122 | 109.3° | 109.5° |
| C12 | C13 | C14 | 109.0° | 109.5° |
| C12 | C13 | C15 | 112.4° | 109.4° |
| C12 | C13 | H13 | 108.3° | 109.5° |
| H121 | C12 | H122 | 100.9° | 109.4° |
| C14 | C13 | C15 | 110.9° | 109.5° |
| C14 | C13 | H13 | 109.9° | 109.5° |
| C13 | C14 | H141 | 108.9° | 109.4° |
| C13 | C14 | H142 | 112.4° | 109.5° |
| C13 | C14 | H143 | 112.4° | 109.5° |
| C15 | C13 | H13 | 106.3° | 109.4° |
| C13 | C15 | H151 | 112.4° | 109.5° |
| C13 | C15 | H152 | 111.2° | 109.5° |
| C13 | C15 | H153 | 111.1° | 109.5° |
| H141 | C14 | H142 | 112.4° | 109.5° |
| H141 | C14 | H143 | 112.4° | 109.4° |
| H142 | C14 | H143 | 98.1° | 109.5° |
| H151 | C15 | H152 | 111.1° | 109.5° |
| H151 | C15 | H153 | 111.1° | 109.4° |
| H152 | C15 | H153 | 99.2° | 109.5° |
| O17 | C16 | N18 | 121.3° | 120.0° |
| C16 | N18 | C19 | 123.5° | 120.1° |
| C16 | N18 | HN8 | 113.0° | 119.9° |
| C19 | N18 | HN8 | 123.5° | 120.0° |
| N18 | C19 | C21 | 114.1° | 109.5° |
| N18 | C19 | H191 | 110.5° | 109.5° |
| N18 | C19 | H192 | 110.5° | 109.5° |
| C21 | C19 | H191 | 110.5° | 109.4° |
| C21 | C19 | H192 | 110.5° | 109.5° |
| C19 | C21 | O22 | 109.9° | 120.1° |
| C19 | C21 | C41 | 111.4° | 120.0° |
| H191 | C19 | H192 | 99.8° | 109.4° |
| O22 | C21 | C41 | 109.9° | 119.9° |
| C21 | C41 | N40 | 110.2° | 109.5° |
| C21 | C41 | H411 | 111.9° | 109.4° |
| C21 | C41 | H412 | 111.9° | 109.5° |
| C24 | C23 | C28 | 120.0° | 120.0° |
| C24 | C23 | H23 | 119.6° | 120.0° |
| C23 | C24 | C25 | 119.5° | 120.0° |
| C23 | C24 | H24 | 120.5° | 120.0° |
| C28 | C23 | H23 | 120.4° | 120.0° |
| C23 | C28 | C27 | 119.8° | 120.0° |
| C23 | C28 | H28 | 120.4° | 120.0° |
| C25 | C24 | H24 | 120.0° | 120.0° |
| C24 | C25 | C26 | 121.3° | 120.0° |
| C24 | C25 | H25 | 118.8° | 120.0° |
| C26 | C25 | H25 | 119.9° | 120.0° |
| C25 | C26 | C27 | 118.8° | 120.0° |
| C25 | C26 | C29 | 120.9° | 119.9° |
| C27 | C26 | C29 | 120.3° | 120.0° |
| C26 | C27 | C28 | 120.7° | 120.0° |
| C26 | C27 | H27 | 119.6° | 120.0° |
| C26 | C29 | O30 | 120.2° | 109.5° |
| C26 | C29 | H291 | 108.4° | 109.4° |
| C26 | C29 | H292 | 108.4° | 109.4° |
| C28 | C27 | H27 | 119.8° | 120.0° |
| C27 | C28 | H28 | 119.8° | 120.0° |
| O30 | C29 | H291 | 108.3° | 109.5° |
| O30 | C29 | H292 | 108.3° | 109.5° |
| C29 | O30 | C31 | 121.1° | 120.0° |
| H291 | C29 | H292 | 101.6° | 109.5° |
| O30 | C31 | O32 | 121.8° | 120.0° |
| O30 | C31 | N42 | 117.5° | 120.0° |
| O32 | C31 | N42 | 120.7° | 120.0° |
| C31 | N42 | C33 | 120.7° | 120.1° |
| C31 | N42 | HN | 114.8° | 120.0° |
| C34 | C33 | C38 | 109.1° | 109.4° |
| C34 | C33 | N42 | 111.2° | 109.5° |
| C34 | C33 | H33 | 109.2° | 109.4° |
| C33 | C34 | C35 | 117.2° | 109.4° |
| C33 | C34 | H341 | 109.4° | 109.4° |
| C33 | C34 | H342 | 109.4° | 109.5° |
| C38 | C33 | N42 | 111.5° | 109.6° |
| C38 | C33 | H33 | 108.9° | 109.5° |
| C33 | C38 | O39 | 120.2° | 119.9° |
| C33 | C38 | N40 | 116.6° | 120.1° |
| N42 | C33 | H33 | 106.8° | 109.5° |
| C33 | N42 | HN | 124.5° | 119.9° |
| C35 | C34 | H341 | 109.4° | 109.5° |
| C35 | C34 | H342 | 109.4° | 109.5° |
| C34 | C35 | C36 | 110.7° | 109.5° |
| C34 | C35 | C37 | 107.4° | 109.5° |
| C34 | C35 | H35 | 110.5° | 109.5° |
| H341 | C34 | H342 | 100.8° | 109.5° |
| C36 | C35 | C37 | 110.8° | 109.5° |
| C36 | C35 | H35 | 107.0° | 109.4° |
| C35 | C36 | H361 | 110.8° | 109.5° |
| C35 | C36 | H362 | 111.8° | 109.5° |
| C35 | C36 | H363 | 111.8° | 109.5° |
| C37 | C35 | H35 | 110.5° | 109.5° |
| C35 | C37 | H371 | 107.3° | 109.4° |
| C35 | C37 | H372 | 113.0° | 109.5° |
| C35 | C37 | H373 | 113.0° | 109.5° |
| H361 | C36 | H362 | 111.7° | 109.5° |
| H361 | C36 | H363 | 111.7° | 109.4° |
| H362 | C36 | H363 | 98.6° | 109.4° |
| H371 | C37 | H372 | 113.0° | 109.5° |
| H371 | C37 | H373 | 113.1° | 109.4° |
| H372 | C37 | H373 | 97.5° | 109.4° |
| O39 | C38 | N40 | 123.2° | 120.0° |
| C38 | N40 | C41 | 124.3° | 120.1° |
| C38 | N40 | HN4 | 112.7° | 119.9° |
| C41 | N40 | HN4 | 122.9° | 120.0° |
| N40 | C41 | H411 | 112.0° | 109.5° |
| N40 | C41 | H412 | 112.0° | 109.5° |
| H411 | C41 | H412 | 98.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 180.0° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 179.9° | 179.9° |
| C2 | C1 | C6 | C5 | 0.0° | 0.2° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.2° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.7° |
| C1 | C6 | C5 | H5 | 179.8° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C6 | C5 | 179.9° | 179.8° |
| H1 | C1 | C6 | H6 | 0.1° | 0.0° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C2 | C3 | C4 | C7 | 177.9° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | H3 | 0.1° | 0.0° |
| C3 | C4 | C5 | C7 | 178.2° | 179.7° |
| C3 | C4 | C5 | C6 | 0.3° | 0.5° |
| C3 | C4 | C5 | H5 | 179.7° | 179.9° |
| C3 | C4 | C7 | O8 | 69.1° | 90.1° |
| C3 | C4 | C7 | H71 | 165.6° | 30.0° |
| C3 | C4 | C7 | H72 | 56.1° | 150.0° |
| H3 | C3 | C4 | C5 | 179.7° | 179.8° |
| H3 | C3 | C4 | C7 | 2.1° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 179.8° | 179.8° |
| C5 | C4 | C7 | O8 | 109.0° | 90.2° |
| C5 | C4 | C7 | H71 | 16.3° | 149.7° |
| C5 | C4 | C7 | H72 | 125.7° | 29.7° |
| C7 | C4 | C5 | C6 | 177.9° | 179.8° |
| C7 | C4 | C5 | H5 | 2.1° | 0.2° |
| C4 | C7 | O8 | H71 | 125.2° | 120.0° |
| C4 | C7 | O8 | H72 | 125.3° | 119.9° |
| C4 | C7 | H71 | H72 | 115.9° | 119.9° |
| C4 | C7 | O8 | C9 | 127.5° | 180.0° |
| H5 | C5 | C6 | H6 | 0.2° | 0.3° |
| O8 | C7 | H71 | H72 | 116.0° | 120.0° |
| C7 | O8 | C9 | O10 | 55.1° | 0.0° |
| C7 | O8 | C9 | N20 | 123.5° | 180.0° |
| H71 | C7 | O8 | C9 | 2.3° | 60.0° |
| H72 | C7 | O8 | C9 | 107.2° | 60.0° |
| O8 | C9 | O10 | N20 | 178.6° | 180.0° |
| O8 | C9 | N20 | C11 | 177.7° | 176.2° |
| O8 | C9 | N20 | HN2 | 2.3° | 3.9° |
| O10 | C9 | N20 | C11 | 1.0° | 3.8° |
| O10 | C9 | N20 | HN2 | 179.1° | 176.1° |
| C9 | N20 | C11 | C12 | 24.8° | 107.7° |
| C9 | N20 | C11 | C16 | 107.3° | 132.3° |
| C9 | N20 | C11 | HN2 | 179.9° | 180.0° |
| C9 | N20 | C11 | H11 | 144.0° | 12.2° |
| C12 | C11 | C16 | N20 | 133.3° | 120.0° |
| C12 | C11 | C16 | H11 | 120.0° | 120.0° |
| C12 | C11 | N20 | H11 | 119.2° | 119.9° |
| C11 | C12 | C13 | H121 | 125.2° | 120.1° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 115.1° | 119.9° |
| C11 | C12 | C13 | C14 | 158.0° | 173.9° |
| C11 | C12 | C13 | C15 | 34.7° | 66.1° |
| C11 | C12 | C13 | H13 | 82.5° | 53.8° |
| C12 | C11 | C16 | O17 | 101.4° | 120.0° |
| C12 | C11 | C16 | N18 | 77.2° | 60.0° |
| C12 | C11 | N20 | HN2 | 155.1° | 72.4° |
| C16 | C11 | N20 | H11 | 108.7° | 120.0° |
| C16 | C11 | C12 | C13 | 126.8° | 175.4° |
| C16 | C11 | C12 | H121 | 108.0° | 55.3° |
| C16 | C11 | C12 | H122 | 1.5° | 64.6° |
| C11 | C16 | O17 | N18 | 178.6° | 180.0° |
| C11 | C16 | N18 | C19 | 178.5° | 180.0° |
| C11 | C16 | N18 | HN8 | 1.5° | 0.0° |
| C16 | C11 | N20 | HN2 | 72.8° | 47.7° |
| N20 | C11 | C12 | C13 | 95.4° | 64.5° |
| N20 | C11 | C12 | H121 | 29.9° | 175.4° |
| N20 | C11 | C12 | H122 | 139.4° | 55.4° |
| N20 | C11 | C16 | O17 | 125.4° | 0.0° |
| N20 | C11 | C16 | N18 | 56.1° | 180.0° |
| H11 | C11 | C12 | C13 | 14.3° | 55.4° |
| H11 | C11 | C12 | H121 | 139.5° | 64.7° |
| H11 | C11 | C12 | H122 | 110.9° | 175.4° |
| H11 | C11 | C16 | O17 | 18.6° | 120.0° |
| H11 | C11 | C16 | N18 | 162.8° | 60.0° |
| H11 | C11 | N20 | HN2 | 35.9° | 167.7° |
| C13 | C12 | H121 | H122 | 115.1° | 120.0° |
| C12 | C13 | C14 | C15 | 124.2° | 120.0° |
| C12 | C13 | C14 | H13 | 118.6° | 120.0° |
| C12 | C13 | C15 | H13 | 118.4° | 119.9° |
| C12 | C13 | C14 | H141 | 180.0° | 179.9° |
| C12 | C13 | C14 | H142 | 54.8° | 60.0° |
| C12 | C13 | C14 | H143 | 54.8° | 60.0° |
| C12 | C13 | C15 | H151 | 180.0° | 54.5° |
| C12 | C13 | C15 | H152 | 54.7° | 65.5° |
| C12 | C13 | C15 | H153 | 54.8° | 174.4° |
| H121 | C12 | C13 | C14 | 76.8° | 66.1° |
| H121 | C12 | C13 | C15 | 159.9° | 53.9° |
| H121 | C12 | C13 | H13 | 42.7° | 173.9° |
| H122 | C12 | C13 | C14 | 32.7° | 53.9° |
| H122 | C12 | C13 | C15 | 90.6° | 173.9° |
| H122 | C12 | C13 | H13 | 152.3° | 66.2° |
| C14 | C13 | C15 | H13 | 119.4° | 120.0° |
| C13 | C14 | H141 | H142 | 125.2° | 120.0° |
| C13 | C14 | H141 | H143 | 125.2° | 120.0° |
| C13 | C14 | H142 | H143 | 118.3° | 120.0° |
| C14 | C13 | C15 | H151 | 57.8° | 65.5° |
| C14 | C13 | C15 | H152 | 67.5° | 174.5° |
| C14 | C13 | C15 | H153 | 177.0° | 54.4° |
| C15 | C13 | C14 | H141 | 55.8° | 60.0° |
| C15 | C13 | C14 | H142 | 179.0° | 180.0° |
| C15 | C13 | C14 | H143 | 69.4° | 60.0° |
| C13 | C15 | H151 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H153 | 125.2° | 120.0° |
| C13 | C15 | H152 | H153 | 117.1° | 120.0° |
| H13 | C13 | C14 | H141 | 61.4° | 60.0° |
| H13 | C13 | C14 | H142 | 63.8° | 60.0° |
| H13 | C13 | C14 | H143 | 173.3° | 180.0° |
| H13 | C13 | C15 | H151 | 61.6° | 174.4° |
| H13 | C13 | C15 | H152 | 173.1° | 54.4° |
| H13 | C13 | C15 | H153 | 63.6° | 65.6° |
| H141 | C14 | H142 | H143 | 118.3° | 120.0° |
| H151 | C15 | H152 | H153 | 116.9° | 120.0° |
| O17 | C16 | N18 | C19 | 0.1° | 0.0° |
| O17 | C16 | N18 | HN8 | 179.9° | 180.0° |
| C16 | N18 | C19 | HN8 | 180.0° | 180.0° |
| C16 | N18 | C19 | C21 | 120.8° | 179.9° |
| C16 | N18 | C19 | H191 | 4.4° | 60.0° |
| C16 | N18 | C19 | H192 | 113.9° | 60.0° |
| N18 | C19 | C21 | H191 | 125.2° | 120.0° |
| N18 | C19 | C21 | H192 | 125.2° | 120.1° |
| N18 | C19 | H191 | H192 | 116.3° | 120.0° |
| N18 | C19 | C21 | O22 | 23.6° | 0.1° |
| N18 | C19 | C21 | C41 | 145.7° | 180.0° |
| HN8 | N18 | C19 | C21 | 59.2° | 0.0° |
| HN8 | N18 | C19 | H191 | 175.6° | 120.0° |
| HN8 | N18 | C19 | H192 | 66.1° | 120.0° |
| C21 | C19 | H191 | H192 | 116.4° | 120.0° |
| C19 | C21 | O22 | C41 | 122.9° | 179.9° |
| C19 | C21 | C41 | N40 | 56.6° | 179.9° |
| C19 | C21 | C41 | H411 | 68.7° | 60.0° |
| C19 | C21 | C41 | H412 | 178.2° | 59.9° |
| H191 | C19 | C21 | O22 | 148.8° | 120.1° |
| H191 | C19 | C21 | C41 | 89.1° | 60.1° |
| H192 | C19 | C21 | O22 | 101.7° | 120.0° |
| H192 | C19 | C21 | C41 | 20.4° | 59.9° |
| O22 | C21 | C41 | N40 | 178.7° | 0.1° |
| O22 | C21 | C41 | H411 | 53.4° | 120.1° |
| O22 | C21 | C41 | H412 | 56.1° | 120.0° |
| C21 | C41 | N40 | C38 | 142.6° | 180.0° |
| C21 | C41 | N40 | H411 | 125.2° | 120.0° |
| C21 | C41 | N40 | H412 | 125.2° | 120.0° |
| C21 | C41 | N40 | HN4 | 37.4° | 0.0° |
| C21 | C41 | H411 | H412 | 117.8° | 120.0° |
| C24 | C23 | C28 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | H24 | 179.9° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.0° |
| C23 | C24 | C25 | H25 | 179.9° | 180.0° |
| C24 | C23 | C28 | C27 | 0.1° | 0.2° |
| C24 | C23 | C28 | H28 | 179.9° | 180.0° |
| C28 | C23 | C24 | C25 | 0.2° | 0.0° |
| C28 | C23 | C24 | H24 | 179.9° | 180.0° |
| C23 | C28 | C27 | C26 | 0.1° | 0.5° |
| C23 | C28 | C27 | H28 | 180.0° | 179.8° |
| C23 | C28 | C27 | H27 | 180.0° | 180.0° |
| H23 | C23 | C24 | C25 | 179.8° | 180.0° |
| H23 | C23 | C24 | H24 | 0.1° | 0.0° |
| H23 | C23 | C28 | C27 | 179.9° | 179.8° |
| H23 | C23 | C28 | H28 | 0.1° | 0.0° |
| C24 | C25 | C26 | H25 | 179.9° | 179.9° |
| C24 | C25 | C26 | C27 | 0.2° | 0.3° |
| C24 | C25 | C26 | C29 | 178.7° | 180.0° |
| H24 | C24 | C25 | C26 | 180.0° | 180.0° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| C25 | C26 | C27 | C29 | 178.9° | 179.7° |
| C25 | C26 | C27 | C28 | 0.2° | 0.5° |
| C25 | C26 | C27 | H27 | 179.9° | 179.9° |
| C25 | C26 | C29 | O30 | 40.2° | 90.0° |
| C25 | C26 | C29 | H291 | 85.1° | 30.0° |
| C25 | C26 | C29 | H292 | 165.4° | 150.0° |
| H25 | C25 | C26 | C27 | 179.9° | 179.8° |
| H25 | C25 | C26 | C29 | 1.2° | 0.1° |
| C26 | C27 | C28 | H27 | 179.9° | 179.6° |
| C26 | C27 | C28 | H28 | 179.9° | 179.7° |
| C27 | C26 | C29 | O30 | 138.7° | 90.3° |
| C27 | C26 | C29 | H291 | 96.1° | 149.7° |
| C27 | C26 | C29 | H292 | 13.5° | 29.7° |
| C29 | C26 | C27 | C28 | 178.7° | 179.8° |
| C29 | C26 | C27 | H27 | 1.2° | 0.2° |
| C26 | C29 | O30 | H291 | 125.3° | 120.0° |
| C26 | C29 | O30 | H292 | 125.2° | 119.9° |
| C26 | C29 | H291 | H292 | 114.1° | 119.9° |
| C26 | C29 | O30 | C31 | 65.1° | 179.9° |
| H27 | C27 | C28 | H28 | 0.0° | 0.2° |
| O30 | C29 | H291 | H292 | 114.0° | 120.1° |
| C29 | O30 | C31 | O32 | 104.2° | 0.0° |
| C29 | O30 | C31 | N42 | 75.2° | 180.0° |
| H291 | C29 | O30 | C31 | 60.2° | 60.1° |
| H292 | C29 | O30 | C31 | 169.6° | 60.0° |
| O30 | C31 | O32 | N42 | 179.4° | 180.0° |
| O30 | C31 | N42 | C33 | 179.6° | 178.2° |
| O30 | C31 | N42 | HN | 0.4° | 1.8° |
| O32 | C31 | N42 | C33 | 0.9° | 1.8° |
| O32 | C31 | N42 | HN | 179.1° | 178.2° |
| C31 | N42 | C33 | C34 | 107.0° | 107.9° |
| C31 | N42 | C33 | C38 | 130.9° | 132.1° |
| C31 | N42 | C33 | HN | 180.0° | 180.0° |
| C31 | N42 | C33 | H33 | 12.1° | 12.0° |
| C34 | C33 | C38 | N42 | 123.3° | 120.0° |
| C34 | C33 | C38 | H33 | 119.1° | 119.9° |
| C34 | C33 | N42 | H33 | 119.1° | 120.0° |
| C33 | C34 | C35 | H341 | 125.3° | 120.0° |
| C33 | C34 | C35 | H342 | 125.2° | 120.0° |
| C33 | C34 | H341 | H342 | 115.2° | 120.0° |
| C33 | C34 | C35 | C36 | 19.9° | 174.5° |
| C33 | C34 | C35 | C37 | 101.1° | 65.5° |
| C33 | C34 | C35 | H35 | 138.3° | 54.6° |
| C34 | C33 | C38 | O39 | 95.9° | 120.0° |
| C34 | C33 | C38 | N40 | 83.8° | 59.9° |
| C34 | C33 | N42 | HN | 73.0° | 72.1° |
| C38 | C33 | N42 | H33 | 118.8° | 120.0° |
| C38 | C33 | C34 | C35 | 144.6° | 178.3° |
| C38 | C33 | C34 | H341 | 90.2° | 61.7° |
| C38 | C33 | C34 | H342 | 19.4° | 58.3° |
| C33 | C38 | O39 | N40 | 179.7° | 180.0° |
| C33 | C38 | N40 | C41 | 179.8° | 180.0° |
| C33 | C38 | N40 | HN4 | 0.2° | 0.1° |
| C38 | C33 | N42 | HN | 49.1° | 47.9° |
| N42 | C33 | C34 | C35 | 91.9° | 61.7° |
| N42 | C33 | C34 | H341 | 33.3° | 58.3° |
| N42 | C33 | C34 | H342 | 142.8° | 178.4° |
| N42 | C33 | C38 | O39 | 27.4° | 0.0° |
| N42 | C33 | C38 | N40 | 152.9° | 180.0° |
| H33 | C33 | C34 | C35 | 25.7° | 58.3° |
| H33 | C33 | C34 | H341 | 150.9° | 178.3° |
| H33 | C33 | C34 | H342 | 99.6° | 61.7° |
| H33 | C33 | C38 | O39 | 145.0° | 120.0° |
| H33 | C33 | C38 | N40 | 35.3° | 60.0° |
| H33 | C33 | N42 | HN | 167.9° | 168.0° |
| C35 | C34 | H341 | H342 | 115.2° | 120.1° |
| C34 | C35 | C36 | C37 | 119.0° | 120.0° |
| C34 | C35 | C36 | H35 | 120.5° | 120.0° |
| C34 | C35 | C37 | H35 | 120.6° | 120.0° |
| C34 | C35 | C36 | H361 | 180.0° | 180.0° |
| C34 | C35 | C36 | H362 | 54.7° | 60.0° |
| C34 | C35 | C36 | H363 | 54.7° | 60.0° |
| C34 | C35 | C37 | H371 | 179.9° | 55.2° |
| C34 | C35 | C37 | H372 | 54.7° | 64.9° |
| C34 | C35 | C37 | H373 | 54.7° | 175.1° |
| H341 | C34 | C35 | C36 | 145.2° | 54.6° |
| H341 | C34 | C35 | C37 | 24.2° | 174.6° |
| H341 | C34 | C35 | H35 | 96.4° | 65.4° |
| H342 | C34 | C35 | C36 | 105.3° | 65.5° |
| H342 | C34 | C35 | C37 | 133.7° | 54.5° |
| H342 | C34 | C35 | H35 | 13.1° | 174.5° |
| C36 | C35 | C37 | H35 | 118.4° | 120.0° |
| C35 | C36 | H361 | H362 | 125.3° | 120.1° |
| C35 | C36 | H361 | H363 | 125.3° | 120.0° |
| C35 | C36 | H362 | H363 | 117.7° | 120.0° |
| C36 | C35 | C37 | H371 | 59.0° | 64.9° |
| C36 | C35 | C37 | H372 | 66.2° | 175.1° |
| C36 | C35 | C37 | H373 | 175.7° | 55.1° |
| C37 | C35 | C36 | H361 | 61.0° | 59.9° |
| C37 | C35 | C36 | H362 | 173.7° | 180.0° |
| C37 | C35 | C36 | H363 | 64.3° | 60.0° |
| C35 | C37 | H371 | H372 | 125.2° | 120.0° |
| C35 | C37 | H371 | H373 | 125.3° | 120.0° |
| C35 | C37 | H372 | H373 | 118.9° | 120.0° |
| H35 | C35 | C36 | H361 | 59.5° | 60.1° |
| H35 | C35 | C36 | H362 | 65.8° | 60.0° |
| H35 | C35 | C36 | H363 | 175.2° | 180.0° |
| H35 | C35 | C37 | H371 | 59.5° | 175.2° |
| H35 | C35 | C37 | H372 | 175.3° | 55.1° |
| H35 | C35 | C37 | H373 | 65.9° | 64.9° |
| H361 | C36 | H362 | H363 | 117.6° | 119.9° |
| H371 | C37 | H372 | H373 | 119.0° | 120.0° |
| O39 | C38 | N40 | C41 | 0.5° | 0.0° |
| O39 | C38 | N40 | HN4 | 179.5° | 180.0° |
| C38 | N40 | C41 | HN4 | 180.0° | 179.9° |
| C38 | N40 | C41 | H411 | 17.4° | 59.9° |
| C38 | N40 | C41 | H412 | 92.2° | 60.0° |
| N40 | C41 | H411 | H412 | 117.9° | 120.0° |
| HN4 | N40 | C41 | H411 | 162.6° | 120.0° |
| HN4 | N40 | C41 | H412 | 87.8° | 120.1° |
