INA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.38Å | 1.41Å | Aromatic |
| C1 | C6 | sing | 1.38Å | 1.40Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| C2 | C3 | sing | 1.38Å | 1.41Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.10Å | |
| C3 | C4 | doub | 1.38Å | 1.40Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| C4 | C5 | sing | 1.38Å | 1.40Å | Aromatic |
| C4 | C7 | sing | 1.51Å | 1.50Å | |
| C5 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | O8 | sing | 1.45Å | 1.46Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O8 | C9 | sing | 1.35Å | 1.43Å | |
| C9 | O10 | doub | 1.22Å | 1.24Å | |
| C9 | N20 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.53Å | 1.55Å | |
| C11 | C16 | sing | 1.51Å | 1.53Å | |
| C11 | N20 | sing | 1.46Å | 1.47Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C13 | sing | 1.53Å | 1.54Å | |
| 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 | 1.57Å | |
| 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 | 1.11Å | |
| C16 | O17 | doub | 1.21Å | 1.23Å | |
| C16 | N18 | sing | 1.35Å | 1.38Å | |
| N18 | N19 | sing | 1.40Å | 1.49Å | |
| N18 | HN8 | sing | 0.97Å | 1.02Å | |
| N19 | C21 | sing | 1.35Å | 1.53Å | |
| N19 | HN9 | sing | 0.97Å | 1.02Å | |
| N20 | HN0 | sing | 0.97Å | 1.02Å | |
| C21 | O22 | doub | 1.22Å | 1.21Å | |
| C21 | N41 | sing | 1.35Å | 1.50Å | |
| C23 | C24 | doub | 1.38Å | 1.39Å | Aromatic |
| C23 | C28 | sing | 1.38Å | 1.39Å | 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 | 1.39Å | Aromatic |
| C25 | H25 | sing | 1.08Å | 1.10Å | |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C26 | C29 | sing | 1.51Å | 1.50Å | |
| C27 | C28 | doub | 1.38Å | 1.40Å | Aromatic |
| C27 | H27 | sing | 1.08Å | 1.10Å | |
| C28 | H28 | sing | 1.08Å | 1.10Å | |
| C29 | O30 | sing | 1.45Å | 1.45Å | |
| C29 | H291 | sing | 1.09Å | 1.11Å | |
| C29 | H292 | sing | 1.09Å | 1.12Å | |
| O30 | C31 | sing | 1.35Å | 1.45Å | |
| C31 | O32 | doub | 1.21Å | 1.23Å | |
| C31 | N42 | sing | 1.35Å | 1.34Å | |
| 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 | 1.12Å | |
| C35 | C36 | sing | 1.53Å | 1.52Å | |
| C35 | C37 | sing | 1.53Å | 1.51Å | |
| C35 | H35 | sing | 1.09Å | 1.12Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C36 | H363 | sing | 1.09Å | 1.11Å | |
| C37 | H371 | sing | 1.09Å | 1.11Å | |
| C37 | H372 | sing | 1.09Å | 1.12Å | |
| C37 | H373 | sing | 1.09Å | 1.12Å | |
| C38 | O39 | doub | 1.21Å | 1.23Å | |
| C38 | N40 | sing | 1.35Å | 1.37Å | |
| N40 | N41 | sing | 1.40Å | 1.49Å | |
| N40 | HN4 | sing | 0.97Å | 1.02Å | |
| N41 | HN1 | sing | 0.97Å | 1.02Å | |
| N42 | HN2 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.7° | 119.9° |
| C2 | C1 | H1 | 120.6° | 120.0° |
| C1 | C2 | C3 | 119.8° | 120.0° |
| C1 | C2 | H2 | 120.0° | 119.9° |
| C6 | C1 | H1 | 119.7° | 120.0° |
| C1 | C6 | C5 | 119.8° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.2° | 120.1° |
| C2 | C3 | C4 | 120.4° | 120.1° |
| C2 | C3 | H3 | 120.2° | 120.0° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 119.0° | 120.0° |
| C3 | C4 | C7 | 120.6° | 120.0° |
| C5 | C4 | C7 | 120.3° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C4 | C5 | H5 | 119.4° | 120.0° |
| C4 | C7 | O8 | 105.9° | 109.5° |
| C4 | C7 | H71 | 113.5° | 109.5° |
| C4 | C7 | H72 | 113.6° | 109.5° |
| C6 | C5 | H5 | 119.4° | 120.0° |
| C5 | C6 | H6 | 120.2° | 120.0° |
| O8 | C7 | H71 | 113.5° | 109.5° |
| O8 | C7 | H72 | 113.5° | 109.5° |
| C7 | O8 | C9 | 125.4° | 120.0° |
| H71 | C7 | H72 | 97.0° | 109.4° |
| O8 | C9 | O10 | 120.6° | 120.0° |
| O8 | C9 | N20 | 116.2° | 120.0° |
| O10 | C9 | N20 | 123.2° | 119.9° |
| C9 | N20 | C11 | 123.5° | 120.1° |
| C9 | N20 | HN0 | 113.2° | 120.0° |
| C12 | C11 | C16 | 110.0° | 109.5° |
| C12 | C11 | N20 | 111.5° | 109.5° |
| C12 | C11 | H11 | 110.0° | 109.5° |
| C11 | C12 | C13 | 121.4° | 109.5° |
| C11 | C12 | H121 | 108.0° | 109.5° |
| C11 | C12 | H122 | 107.9° | 109.5° |
| C16 | C11 | N20 | 115.5° | 109.5° |
| C16 | C11 | H11 | 105.6° | 109.5° |
| C11 | C16 | O17 | 120.3° | 120.0° |
| C11 | C16 | N18 | 119.5° | 120.0° |
| N20 | C11 | H11 | 103.9° | 109.4° |
| C11 | N20 | HN0 | 123.3° | 120.0° |
| C13 | C12 | H121 | 107.9° | 109.5° |
| C13 | C12 | H122 | 107.9° | 109.5° |
| C12 | C13 | C14 | 110.2° | 109.5° |
| C12 | C13 | C15 | 115.1° | 109.5° |
| C12 | C13 | H13 | 105.7° | 109.5° |
| H121 | C12 | H122 | 102.0° | 109.5° |
| C14 | C13 | C15 | 111.5° | 109.5° |
| C14 | C13 | H13 | 109.8° | 109.5° |
| C13 | C14 | H141 | 110.2° | 109.5° |
| C13 | C14 | H142 | 112.0° | 109.5° |
| C13 | C14 | H143 | 111.9° | 109.5° |
| C15 | C13 | H13 | 104.2° | 109.5° |
| C13 | C15 | H151 | 115.1° | 109.5° |
| C13 | C15 | H152 | 110.2° | 109.4° |
| C13 | C15 | H153 | 110.2° | 109.4° |
| H141 | C14 | H142 | 111.9° | 109.4° |
| H141 | C14 | H143 | 111.9° | 109.5° |
| H142 | C14 | H143 | 98.5° | 109.4° |
| H151 | C15 | H152 | 110.2° | 109.5° |
| H151 | C15 | H153 | 110.1° | 109.5° |
| H152 | C15 | H153 | 100.1° | 109.5° |
| O17 | C16 | N18 | 120.1° | 120.0° |
| C16 | N18 | N19 | 124.0° | 120.0° |
| C16 | N18 | HN8 | 113.8° | 120.0° |
| N19 | N18 | HN8 | 122.2° | 120.0° |
| N18 | N19 | C21 | 110.9° | 120.0° |
| N18 | N19 | HN9 | 111.6° | 120.0° |
| C21 | N19 | HN9 | 111.7° | 120.0° |
| N19 | C21 | O22 | 106.1° | 120.0° |
| N19 | C21 | N41 | 116.6° | 120.0° |
| O22 | C21 | N41 | 108.7° | 120.0° |
| C21 | N41 | N40 | 113.2° | 120.0° |
| C21 | N41 | HN1 | 123.7° | 120.0° |
| C24 | C23 | C28 | 120.0° | 120.0° |
| C24 | C23 | H23 | 120.1° | 120.0° |
| C23 | C24 | C25 | 119.6° | 120.0° |
| C23 | C24 | H24 | 119.8° | 120.0° |
| C28 | C23 | H23 | 119.9° | 119.9° |
| C23 | C28 | C27 | 119.9° | 120.0° |
| C23 | C28 | H28 | 119.7° | 120.1° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | C26 | 121.1° | 120.0° |
| C24 | C25 | H25 | 119.9° | 120.0° |
| C26 | C25 | H25 | 119.0° | 120.0° |
| C25 | C26 | C27 | 118.7° | 120.0° |
| C25 | C26 | C29 | 120.7° | 120.0° |
| C27 | C26 | C29 | 120.6° | 120.0° |
| C26 | C27 | C28 | 120.8° | 120.0° |
| C26 | C27 | H27 | 119.5° | 120.0° |
| C26 | C29 | O30 | 118.5° | 109.5° |
| C26 | C29 | H291 | 109.0° | 109.5° |
| C26 | C29 | H292 | 109.0° | 109.5° |
| C28 | C27 | H27 | 119.7° | 120.0° |
| C27 | C28 | H28 | 120.3° | 120.0° |
| O30 | C29 | H291 | 109.0° | 109.5° |
| O30 | C29 | H292 | 109.0° | 109.5° |
| C29 | O30 | C31 | 123.6° | 120.0° |
| H291 | C29 | H292 | 101.1° | 109.4° |
| O30 | C31 | O32 | 121.7° | 120.0° |
| O30 | C31 | N42 | 115.6° | 120.0° |
| O32 | C31 | N42 | 122.6° | 120.0° |
| C31 | N42 | C33 | 122.9° | 120.0° |
| C31 | N42 | HN2 | 113.6° | 120.0° |
| C34 | C33 | C38 | 108.4° | 109.5° |
| C34 | C33 | N42 | 110.4° | 109.5° |
| C34 | C33 | H33 | 110.7° | 109.4° |
| C33 | C34 | C35 | 116.9° | 109.5° |
| C33 | C34 | H341 | 109.5° | 109.4° |
| C33 | C34 | H342 | 109.5° | 109.6° |
| C38 | C33 | N42 | 112.5° | 109.5° |
| C38 | C33 | H33 | 108.4° | 109.5° |
| C33 | C38 | O39 | 119.9° | 120.0° |
| C33 | C38 | N40 | 117.7° | 119.9° |
| N42 | C33 | H33 | 106.4° | 109.5° |
| C33 | N42 | HN2 | 123.5° | 120.0° |
| C35 | C34 | H341 | 109.5° | 109.4° |
| C35 | C34 | H342 | 109.5° | 109.5° |
| C34 | C35 | C36 | 112.7° | 109.5° |
| C34 | C35 | C37 | 108.9° | 109.5° |
| C34 | C35 | H35 | 108.5° | 109.5° |
| H341 | C34 | H342 | 100.7° | 109.5° |
| C36 | C35 | C37 | 111.8° | 109.5° |
| C36 | C35 | H35 | 105.4° | 109.5° |
| C35 | C36 | H361 | 112.7° | 109.5° |
| C35 | C36 | H362 | 111.0° | 109.5° |
| C35 | C36 | H363 | 111.0° | 109.5° |
| C37 | C35 | H35 | 109.5° | 109.5° |
| C35 | C37 | H371 | 108.9° | 109.4° |
| C35 | C37 | H372 | 112.4° | 109.5° |
| C35 | C37 | H373 | 112.4° | 109.4° |
| H361 | C36 | H362 | 111.0° | 109.5° |
| H361 | C36 | H363 | 111.1° | 109.5° |
| H362 | C36 | H363 | 99.3° | 109.4° |
| H371 | C37 | H372 | 112.5° | 109.5° |
| H371 | C37 | H373 | 112.4° | 109.5° |
| H372 | C37 | H373 | 98.0° | 109.5° |
| O39 | C38 | N40 | 122.4° | 120.0° |
| C38 | N40 | N41 | 120.3° | 119.9° |
| C38 | N40 | HN4 | 115.5° | 120.1° |
| N41 | N40 | HN4 | 124.2° | 120.0° |
| N40 | N41 | HN1 | 123.1° | 120.0° |
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 | 179.9° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.0° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.2° | 0.1° |
| C2 | C1 | C6 | H6 | 179.9° | 179.9° |
| C6 | C1 | C2 | C3 | 0.2° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.1° | 0.4° |
| C1 | C6 | C5 | H6 | 180.0° | 179.9° |
| C1 | C6 | C5 | H5 | 180.0° | 180.0° |
| H1 | C1 | C2 | C3 | 179.8° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.0° |
| H1 | C1 | C6 | C5 | 179.8° | 179.8° |
| H1 | C1 | C6 | H6 | 0.1° | 0.1° |
| C2 | C3 | C4 | H3 | 179.9° | 180.0° |
| C2 | C3 | C4 | C5 | 0.3° | 0.3° |
| C2 | C3 | C4 | C7 | 177.7° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 180.0° |
| H2 | C2 | C3 | H3 | 0.1° | 0.1° |
| C3 | C4 | C5 | C7 | 178.0° | 179.7° |
| C3 | C4 | C5 | C6 | 0.3° | 0.5° |
| C3 | C4 | C5 | H5 | 179.7° | 180.0° |
| C3 | C4 | C7 | O8 | 138.8° | 90.0° |
| C3 | C4 | C7 | H71 | 13.6° | 30.0° |
| C3 | C4 | C7 | H72 | 96.0° | 150.0° |
| H3 | C3 | C4 | C5 | 179.7° | 179.7° |
| H3 | C3 | C4 | C7 | 2.3° | 0.0° |
| C4 | C5 | C6 | H5 | 179.9° | 179.6° |
| C4 | C5 | C6 | H6 | 179.9° | 179.7° |
| C5 | C4 | C7 | O8 | 39.2° | 90.3° |
| C5 | C4 | C7 | H71 | 164.4° | 149.7° |
| C5 | C4 | C7 | H72 | 86.1° | 29.7° |
| C7 | C4 | C5 | C6 | 177.7° | 179.8° |
| C7 | C4 | C5 | H5 | 2.3° | 0.2° |
| C4 | C7 | O8 | H71 | 125.2° | 120.1° |
| C4 | C7 | O8 | H72 | 125.3° | 120.0° |
| C4 | C7 | H71 | H72 | 119.5° | 120.0° |
| C4 | C7 | O8 | C9 | 147.5° | 179.9° |
| H5 | C5 | C6 | H6 | 0.1° | 0.1° |
| O8 | C7 | H71 | H72 | 119.5° | 119.9° |
| C7 | O8 | C9 | O10 | 68.0° | 0.1° |
| C7 | O8 | C9 | N20 | 113.4° | 180.0° |
| H71 | C7 | O8 | C9 | 87.3° | 60.0° |
| H72 | C7 | O8 | C9 | 22.2° | 59.9° |
| O8 | C9 | O10 | N20 | 178.5° | 179.9° |
| O8 | C9 | N20 | C11 | 178.1° | 176.2° |
| O8 | C9 | N20 | HN0 | 1.8° | 3.7° |
| O10 | C9 | N20 | C11 | 0.4° | 3.7° |
| O10 | C9 | N20 | HN0 | 179.7° | 176.4° |
| C9 | N20 | C11 | C12 | 34.5° | 115.1° |
| C9 | N20 | C11 | C16 | 92.0° | 124.9° |
| C9 | N20 | C11 | HN0 | 179.9° | 179.9° |
| C9 | N20 | C11 | H11 | 152.9° | 4.9° |
| C12 | C11 | C16 | N20 | 127.3° | 120.0° |
| C12 | C11 | C16 | H11 | 118.6° | 120.0° |
| C12 | C11 | N20 | H11 | 118.4° | 120.0° |
| C11 | C12 | C13 | H121 | 125.3° | 120.0° |
| C11 | C12 | C13 | H122 | 125.2° | 120.0° |
| C11 | C12 | H121 | H122 | 113.6° | 120.0° |
| C11 | C12 | C13 | C14 | 153.5° | 174.3° |
| C11 | C12 | C13 | C15 | 26.4° | 65.7° |
| C11 | C12 | C13 | H13 | 88.0° | 54.4° |
| C12 | C11 | C16 | O17 | 134.1° | 94.9° |
| C12 | C11 | C16 | N18 | 46.0° | 85.2° |
| C12 | C11 | N20 | HN0 | 145.5° | 64.8° |
| C16 | C11 | N20 | H11 | 115.1° | 120.0° |
| C16 | C11 | C12 | C13 | 164.7° | 175.6° |
| C16 | C11 | C12 | H121 | 70.0° | 55.6° |
| C16 | C11 | C12 | H122 | 39.5° | 64.4° |
| C11 | C16 | O17 | N18 | 179.9° | 179.9° |
| C11 | C16 | N18 | N19 | 179.7° | 174.9° |
| C11 | C16 | N18 | HN8 | 0.3° | 5.2° |
| C16 | C11 | N20 | HN0 | 88.0° | 55.2° |
| N20 | C11 | C12 | C13 | 65.8° | 64.4° |
| N20 | C11 | C12 | H121 | 59.4° | 175.6° |
| N20 | C11 | C12 | H122 | 168.9° | 55.6° |
| N20 | C11 | C16 | O17 | 6.8° | 25.2° |
| N20 | C11 | C16 | N18 | 173.3° | 154.8° |
| H11 | C11 | C12 | C13 | 48.8° | 55.6° |
| H11 | C11 | C12 | H121 | 174.1° | 64.4° |
| H11 | C11 | C12 | H122 | 76.4° | 175.6° |
| H11 | C11 | C16 | O17 | 107.3° | 145.1° |
| H11 | C11 | C16 | N18 | 72.6° | 34.8° |
| H11 | C11 | N20 | HN0 | 27.1° | 175.2° |
| C13 | C12 | H121 | H122 | 113.5° | 120.0° |
| C12 | C13 | C14 | C15 | 129.1° | 120.0° |
| C12 | C13 | C14 | H13 | 116.0° | 120.0° |
| C12 | C13 | C15 | H13 | 115.3° | 120.0° |
| C12 | C13 | C14 | H141 | 180.0° | 180.0° |
| C12 | C13 | C14 | H142 | 54.8° | 60.0° |
| C12 | C13 | C14 | H143 | 54.8° | 60.0° |
| C12 | C13 | C15 | H151 | 180.0° | 56.0° |
| C12 | C13 | C15 | H152 | 54.8° | 64.0° |
| C12 | C13 | C15 | H153 | 54.7° | 176.0° |
| H121 | C12 | C13 | C14 | 28.2° | 65.6° |
| H121 | C12 | C13 | C15 | 98.9° | 54.3° |
| H121 | C12 | C13 | H13 | 146.7° | 174.4° |
| H122 | C12 | C13 | C14 | 81.3° | 54.3° |
| H122 | C12 | C13 | C15 | 151.7° | 174.3° |
| H122 | C12 | C13 | H13 | 37.3° | 65.7° |
| C14 | C13 | C15 | H13 | 118.3° | 120.0° |
| C13 | C14 | H141 | H142 | 125.3° | 120.0° |
| C13 | C14 | H141 | H143 | 125.3° | 120.1° |
| C13 | C14 | H142 | H143 | 117.9° | 120.0° |
| C14 | C13 | C15 | H151 | 53.6° | 64.0° |
| C14 | C13 | C15 | H152 | 178.8° | 176.0° |
| C14 | C13 | C15 | H153 | 71.7° | 56.1° |
| C15 | C13 | C14 | H141 | 50.9° | 60.1° |
| C15 | C13 | C14 | H142 | 74.3° | 180.0° |
| C15 | C13 | C14 | H143 | 176.2° | 60.0° |
| C13 | C15 | H151 | H152 | 125.3° | 120.0° |
| C13 | C15 | H151 | H153 | 125.3° | 120.0° |
| C13 | C15 | H152 | H153 | 116.0° | 119.9° |
| H13 | C13 | C14 | H141 | 64.0° | 60.0° |
| H13 | C13 | C14 | H142 | 170.7° | 60.0° |
| H13 | C13 | C14 | H143 | 61.2° | 179.9° |
| H13 | C13 | C15 | H151 | 64.8° | 176.0° |
| H13 | C13 | C15 | H152 | 60.5° | 56.0° |
| H13 | C13 | C15 | H153 | 170.0° | 64.0° |
| H141 | C14 | H142 | H143 | 117.8° | 120.0° |
| H151 | C15 | H152 | H153 | 115.9° | 120.1° |
| O17 | C16 | N18 | N19 | 0.4° | 5.1° |
| O17 | C16 | N18 | HN8 | 179.6° | 174.9° |
| C16 | N18 | N19 | HN8 | 180.0° | 180.0° |
| C16 | N18 | N19 | C21 | 101.0° | 178.7° |
| C16 | N18 | N19 | HN9 | 133.7° | 1.3° |
| N18 | N19 | C21 | HN9 | 125.2° | 180.0° |
| N18 | N19 | C21 | O22 | 35.2° | 176.3° |
| N18 | N19 | C21 | N41 | 86.0° | 3.7° |
| HN8 | N18 | N19 | C21 | 79.0° | 1.3° |
| HN8 | N18 | N19 | HN9 | 46.3° | 178.7° |
| N19 | C21 | O22 | N41 | 126.1° | 180.0° |
| N19 | C21 | N41 | N40 | 57.5° | 175.3° |
| N19 | C21 | N41 | HN1 | 122.4° | 4.7° |
| HN9 | N19 | C21 | O22 | 160.4° | 3.8° |
| HN9 | N19 | C21 | N41 | 39.2° | 176.2° |
| O22 | C21 | N41 | N40 | 177.4° | 4.7° |
| O22 | C21 | N41 | HN1 | 2.6° | 175.3° |
| C21 | N41 | N40 | C38 | 126.6° | 174.9° |
| C21 | N41 | N40 | HN1 | 180.0° | 180.0° |
| C21 | N41 | N40 | HN4 | 53.4° | 5.2° |
| C24 | C23 | C28 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.0° | 0.1° |
| C23 | C24 | C25 | H25 | 180.0° | 180.0° |
| C24 | C23 | C28 | C27 | 0.2° | 0.1° |
| C24 | C23 | C28 | H28 | 179.7° | 179.9° |
| C28 | C23 | C24 | C25 | 0.1° | 0.0° |
| C28 | C23 | C24 | H24 | 179.8° | 180.0° |
| C23 | C28 | C27 | C26 | 0.2° | 0.4° |
| C23 | C28 | C27 | H28 | 180.0° | 179.9° |
| C23 | C28 | C27 | H27 | 179.8° | 180.0° |
| H23 | C23 | C24 | C25 | 179.9° | 179.9° |
| H23 | C23 | C24 | H24 | 0.1° | 0.1° |
| H23 | C23 | C28 | C27 | 179.8° | 179.9° |
| H23 | C23 | C28 | H28 | 0.3° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.0° | 0.3° |
| C24 | C25 | C26 | C29 | 179.6° | 180.0° |
| H24 | C24 | C25 | C26 | 180.0° | 179.9° |
| H24 | C24 | C25 | H25 | 0.0° | 0.0° |
| C25 | C26 | C27 | C29 | 179.6° | 179.7° |
| C25 | C26 | C27 | C28 | 0.1° | 0.5° |
| C25 | C26 | C27 | H27 | 179.9° | 179.9° |
| C25 | C26 | C29 | O30 | 105.0° | 90.0° |
| C25 | C26 | C29 | H291 | 20.3° | 30.0° |
| C25 | C26 | C29 | H292 | 129.7° | 150.0° |
| H25 | C25 | C26 | C27 | 180.0° | 179.7° |
| H25 | C25 | C26 | C29 | 0.4° | 0.0° |
| C26 | C27 | C28 | H27 | 180.0° | 179.6° |
| C26 | C27 | C28 | H28 | 179.7° | 179.7° |
| C27 | C26 | C29 | O30 | 74.6° | 90.3° |
| C27 | C26 | C29 | H291 | 160.1° | 149.7° |
| C27 | C26 | C29 | H292 | 50.7° | 29.7° |
| C29 | C26 | C27 | C28 | 179.8° | 179.9° |
| C29 | C26 | C27 | H27 | 0.3° | 0.2° |
| C26 | C29 | O30 | H291 | 125.3° | 120.0° |
| C26 | C29 | O30 | H292 | 125.3° | 120.0° |
| C26 | C29 | H291 | H292 | 114.7° | 120.0° |
| C26 | C29 | O30 | C31 | 174.2° | 180.0° |
| H27 | C27 | C28 | H28 | 0.2° | 0.1° |
| O30 | C29 | H291 | H292 | 114.7° | 120.0° |
| C29 | O30 | C31 | O32 | 71.6° | 0.1° |
| C29 | O30 | C31 | N42 | 109.3° | 180.0° |
| H291 | C29 | O30 | C31 | 48.9° | 59.9° |
| H292 | C29 | O30 | C31 | 60.5° | 60.0° |
| O30 | C31 | O32 | N42 | 179.0° | 179.9° |
| O30 | C31 | N42 | C33 | 178.6° | 174.1° |
| O30 | C31 | N42 | HN2 | 1.4° | 6.0° |
| O32 | C31 | N42 | C33 | 0.4° | 5.7° |
| O32 | C31 | N42 | HN2 | 179.5° | 174.1° |
| C31 | N42 | C33 | C34 | 154.5° | 121.0° |
| C31 | N42 | C33 | C38 | 84.3° | 118.9° |
| C31 | N42 | C33 | HN2 | 180.0° | 179.9° |
| C31 | N42 | C33 | H33 | 34.3° | 1.1° |
| C34 | C33 | C38 | N42 | 122.4° | 120.1° |
| C34 | C33 | C38 | H33 | 120.2° | 119.9° |
| C34 | C33 | N42 | H33 | 120.1° | 120.0° |
| C33 | C34 | C35 | H341 | 125.2° | 119.9° |
| C33 | C34 | C35 | H342 | 125.2° | 120.1° |
| C33 | C34 | H341 | H342 | 115.2° | 120.1° |
| C33 | C34 | C35 | C36 | 144.9° | 175.6° |
| C33 | C34 | C35 | C37 | 90.4° | 64.4° |
| C33 | C34 | C35 | H35 | 28.6° | 55.6° |
| C34 | C33 | C38 | O39 | 86.7° | 95.3° |
| C34 | C33 | C38 | N40 | 92.6° | 84.7° |
| C34 | C33 | N42 | HN2 | 25.6° | 58.8° |
| C38 | C33 | N42 | H33 | 118.6° | 120.0° |
| C38 | C33 | C34 | C35 | 114.1° | 177.1° |
| C38 | C33 | C34 | H341 | 11.1° | 63.0° |
| C38 | C33 | C34 | H342 | 120.6° | 57.0° |
| C33 | C38 | O39 | N40 | 179.3° | 180.0° |
| C33 | C38 | N40 | N41 | 179.8° | 176.4° |
| C33 | C38 | N40 | HN4 | 0.2° | 3.7° |
| C38 | C33 | N42 | HN2 | 95.7° | 61.2° |
| N42 | C33 | C34 | C35 | 9.5° | 62.9° |
| N42 | C33 | C34 | H341 | 134.8° | 57.0° |
| N42 | C33 | C34 | H342 | 115.7° | 177.1° |
| N42 | C33 | C38 | O39 | 35.7° | 24.8° |
| N42 | C33 | C38 | N40 | 145.0° | 155.2° |
| H33 | C33 | C34 | C35 | 127.1° | 57.1° |
| H33 | C33 | C34 | H341 | 107.7° | 177.0° |
| H33 | C33 | C34 | H342 | 1.8° | 62.9° |
| H33 | C33 | C38 | O39 | 153.1° | 144.8° |
| H33 | C33 | C38 | N40 | 27.6° | 35.2° |
| H33 | C33 | N42 | HN2 | 145.7° | 178.8° |
| C35 | C34 | H341 | H342 | 115.3° | 120.0° |
| C34 | C35 | C36 | C37 | 123.1° | 120.0° |
| C34 | C35 | C36 | H35 | 118.1° | 120.0° |
| C34 | C35 | C37 | H35 | 118.4° | 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 | 180.0° | 56.5° |
| C34 | C35 | C37 | H372 | 54.7° | 63.5° |
| C34 | C35 | C37 | H373 | 54.7° | 176.4° |
| H341 | C34 | C35 | C36 | 19.7° | 55.7° |
| H341 | C34 | C35 | C37 | 144.4° | 175.7° |
| H341 | C34 | C35 | H35 | 96.6° | 64.4° |
| H342 | C34 | C35 | C36 | 89.9° | 64.3° |
| H342 | C34 | C35 | C37 | 34.8° | 55.7° |
| H342 | C34 | C35 | H35 | 153.8° | 175.7° |
| C36 | C35 | C37 | H35 | 116.4° | 120.0° |
| C35 | C36 | H361 | H362 | 125.2° | 120.0° |
| C35 | C36 | H361 | H363 | 125.3° | 120.0° |
| C35 | C36 | H362 | H363 | 116.8° | 120.0° |
| C36 | C35 | C37 | H371 | 54.8° | 63.6° |
| C36 | C35 | C37 | H372 | 70.5° | 176.5° |
| C36 | C35 | C37 | H373 | 180.0° | 56.4° |
| C37 | C35 | C36 | H361 | 57.0° | 60.0° |
| C37 | C35 | C36 | H362 | 177.8° | 180.0° |
| C37 | C35 | C36 | H363 | 68.4° | 60.0° |
| C35 | C37 | H371 | H372 | 125.3° | 120.0° |
| C35 | C37 | H371 | H373 | 125.2° | 120.0° |
| C35 | C37 | H372 | H373 | 118.3° | 120.0° |
| H35 | C35 | C36 | H361 | 61.9° | 60.0° |
| H35 | C35 | C36 | H362 | 63.4° | 60.0° |
| H35 | C35 | C36 | H363 | 172.8° | 180.0° |
| H35 | C35 | C37 | H371 | 61.6° | 176.4° |
| H35 | C35 | C37 | H372 | 173.1° | 56.4° |
| H35 | C35 | C37 | H373 | 63.7° | 63.6° |
| H361 | C36 | H362 | H363 | 117.0° | 120.0° |
| H371 | C37 | H372 | H373 | 118.3° | 120.0° |
| O39 | C38 | N40 | N41 | 0.5° | 3.6° |
| O39 | C38 | N40 | HN4 | 179.5° | 176.3° |
| C38 | N40 | N41 | HN4 | 180.0° | 180.0° |
| C38 | N40 | N41 | HN1 | 53.4° | 5.1° |
| HN4 | N40 | N41 | HN1 | 126.5° | 174.8° |
