IN6
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 | 1.40Å | 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 | 1.50Å | |
| 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 | 1.44Å | |
| C7 | H71 | sing | 1.09Å | 1.12Å | |
| C7 | H72 | sing | 1.09Å | 1.11Å | |
| O8 | C9 | sing | 1.35Å | 1.43Å | |
| C9 | O10 | doub | 1.21Å | 1.25Å | |
| C9 | N24 | sing | 1.35Å | 1.34Å | |
| C11 | C12 | sing | 1.53Å | 1.54Å | |
| C11 | C17 | sing | 1.51Å | 1.60Å | |
| C11 | N24 | sing | 1.46Å | 1.47Å | |
| C11 | H11 | sing | 1.09Å | 1.12Å | |
| C12 | C14 | sing | 1.53Å | 1.54Å | |
| C12 | H121 | sing | 1.09Å | 1.11Å | |
| C12 | H122 | sing | 1.09Å | 1.12Å | |
| C14 | C15 | sing | 1.53Å | 1.55Å | |
| C14 | C16 | sing | 1.53Å | 1.54Å | |
| C14 | H14 | sing | 1.09Å | 1.12Å | |
| C15 | H151 | sing | 1.09Å | 1.12Å | |
| C15 | H152 | sing | 1.09Å | 1.12Å | |
| C15 | H153 | sing | 1.09Å | 1.11Å | |
| C16 | H161 | sing | 1.09Å | 1.12Å | |
| C16 | H162 | sing | 1.09Å | 1.11Å | |
| C16 | H163 | sing | 1.09Å | 1.11Å | |
| C17 | S18 | sing | 1.73Å | 1.72Å | Aromatic |
| C17 | N19 | doub | 1.31Å | 1.38Å | Aromatic |
| S18 | C42 | sing | 1.73Å | 1.76Å | Aromatic |
| N19 | C20 | sing | 1.33Å | 1.39Å | Aromatic |
| C20 | C42 | doub | 1.37Å | 1.36Å | Aromatic |
| C20 | C21 | sing | 1.47Å | 1.62Å | |
| N24 | HN4 | sing | 0.97Å | 1.02Å | |
| C42 | H42 | sing | 1.08Å | 1.10Å | |
| C21 | O22 | doub | 1.22Å | 1.19Å | |
| C21 | NK' | sing | 1.35Å | 1.55Å | |
| C1' | C2' | doub | 1.38Å | 1.38Å | Aromatic |
| C1' | C6' | sing | 1.38Å | 1.40Å | Aromatic |
| C1' | H1' | sing | 1.08Å | 1.10Å | |
| C2' | C3' | sing | 1.38Å | 1.39Å | 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 | 1.51Å | |
| 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 | 1.47Å | |
| C7' | H7'1 | sing | 1.09Å | 1.11Å | |
| C7' | H7'2 | sing | 1.09Å | 1.11Å | |
| O8' | C9' | sing | 1.35Å | 1.42Å | |
| C9' | OA' | doub | 1.22Å | 1.23Å | |
| C9' | NO' | sing | 1.35Å | 1.33Å | |
| CB' | CC' | sing | 1.53Å | 1.54Å | |
| CB' | CH' | sing | 1.51Å | 1.54Å | |
| CB' | NO' | sing | 1.46Å | 1.47Å | |
| CB' | H11' | sing | 1.09Å | 1.12Å | |
| CC' | CE' | sing | 1.53Å | 1.54Å | |
| CC' | H12A | sing | 1.09Å | 1.12Å | |
| CC' | H12B | sing | 1.09Å | 1.12Å | |
| CE' | CF' | sing | 1.53Å | 1.51Å | |
| CE' | CG' | sing | 1.53Å | 1.51Å | |
| CE' | H14' | sing | 1.09Å | 1.11Å | |
| CF' | H15A | sing | 1.09Å | 1.11Å | |
| CF' | H15B | sing | 1.09Å | 1.11Å | |
| CF' | H15C | sing | 1.09Å | 1.12Å | |
| CG' | H16A | sing | 1.09Å | 1.11Å | |
| CG' | H16B | sing | 1.09Å | 1.12Å | |
| CG' | H16C | sing | 1.09Å | 1.12Å | |
| CH' | OI' | doub | 1.21Å | 1.23Å | |
| CH' | NJ' | sing | 1.35Å | 1.37Å | |
| NJ' | NK' | sing | 1.40Å | 1.52Å | |
| NJ' | HN9 | sing | 0.97Å | 1.02Å | |
| NK' | HN0 | sing | 0.97Å | 1.02Å | |
| NO' | HN2 | sing | 0.97Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 119.6° | 120.0° |
| C2 | C1 | H1 | 120.5° | 120.0° |
| C1 | C2 | C3 | 120.0° | 120.0° |
| C1 | C2 | H2 | 120.0° | 120.0° |
| C6 | C1 | H1 | 119.9° | 120.0° |
| C1 | C6 | C5 | 119.7° | 120.0° |
| C1 | C6 | H6 | 120.0° | 120.0° |
| C3 | C2 | H2 | 120.0° | 120.0° |
| C2 | C3 | C4 | 120.7° | 120.0° |
| C2 | C3 | H3 | 120.0° | 120.0° |
| C4 | C3 | H3 | 119.3° | 120.0° |
| C3 | C4 | C5 | 118.8° | 120.0° |
| C3 | C4 | C7 | 120.5° | 120.0° |
| C5 | C4 | C7 | 120.6° | 120.0° |
| C4 | C5 | C6 | 121.2° | 120.0° |
| C4 | C5 | H5 | 119.3° | 120.0° |
| C4 | C7 | O8 | 116.5° | 109.4° |
| C4 | C7 | H71 | 109.7° | 109.5° |
| C4 | C7 | H72 | 109.7° | 109.5° |
| C6 | C5 | H5 | 119.6° | 120.0° |
| C5 | C6 | H6 | 120.3° | 120.0° |
| O8 | C7 | H71 | 109.6° | 109.5° |
| O8 | C7 | H72 | 109.7° | 109.5° |
| C7 | O8 | C9 | 125.9° | 120.0° |
| H71 | C7 | H72 | 100.5° | 109.5° |
| O8 | C9 | O10 | 121.9° | 120.0° |
| O8 | C9 | N24 | 115.2° | 120.0° |
| O10 | C9 | N24 | 122.9° | 120.0° |
| C9 | N24 | C11 | 121.6° | 120.0° |
| C9 | N24 | HN4 | 114.5° | 120.0° |
| C12 | C11 | C17 | 112.6° | 109.5° |
| C12 | C11 | N24 | 110.2° | 109.4° |
| C12 | C11 | H11 | 108.1° | 109.5° |
| C11 | C12 | C14 | 120.1° | 109.5° |
| C11 | C12 | H121 | 108.4° | 109.5° |
| C11 | C12 | H122 | 108.4° | 109.5° |
| C17 | C11 | N24 | 113.3° | 109.5° |
| C17 | C11 | H11 | 104.7° | 109.5° |
| C11 | C17 | S18 | 119.7° | 128.6° |
| C11 | C17 | N19 | 130.0° | 128.6° |
| N24 | C11 | H11 | 107.4° | 109.5° |
| C11 | N24 | HN4 | 123.9° | 120.0° |
| C14 | C12 | H121 | 108.4° | 109.4° |
| C14 | C12 | H122 | 108.4° | 109.4° |
| C12 | C14 | C15 | 110.7° | 109.5° |
| C12 | C14 | C16 | 113.5° | 109.5° |
| C12 | C14 | H14 | 106.4° | 109.4° |
| H121 | C12 | H122 | 101.6° | 109.4° |
| C15 | C14 | C16 | 111.2° | 109.5° |
| C15 | C14 | H14 | 108.9° | 109.5° |
| C14 | C15 | H151 | 110.7° | 109.4° |
| C14 | C15 | H152 | 111.8° | 109.5° |
| C14 | C15 | H153 | 111.8° | 109.5° |
| C16 | C14 | H14 | 105.8° | 109.4° |
| C14 | C16 | H161 | 113.5° | 109.5° |
| C14 | C16 | H162 | 110.7° | 109.5° |
| C14 | C16 | H163 | 110.7° | 109.5° |
| H151 | C15 | H152 | 111.7° | 109.5° |
| H151 | C15 | H153 | 111.7° | 109.5° |
| H152 | C15 | H153 | 98.6° | 109.5° |
| H161 | C16 | H162 | 110.7° | 109.5° |
| H161 | C16 | H163 | 110.7° | 109.5° |
| H162 | C16 | H163 | 99.6° | 109.5° |
| S18 | C17 | N19 | 110.3° | 102.8° |
| C17 | S18 | C42 | 88.6° | 98.2° |
| C17 | N19 | C20 | 118.2° | 120.0° |
| S18 | C42 | C20 | 116.5° | 101.5° |
| S18 | C42 | H42 | 133.5° | 129.2° |
| N19 | C20 | C42 | 106.4° | 117.5° |
| N19 | C20 | C21 | 124.6° | 121.2° |
| C42 | C20 | C21 | 128.8° | 121.2° |
| C20 | C42 | H42 | 110.0° | 129.2° |
| C20 | C21 | O22 | 90.9° | 119.9° |
| C20 | C21 | NK' | 117.1° | 120.0° |
| O22 | C21 | NK' | 106.9° | 120.1° |
| C21 | NK' | NJ' | 117.2° | 120.0° |
| C21 | NK' | HN0 | 122.4° | 120.0° |
| C2' | C1' | C6' | 120.1° | 120.0° |
| C2' | C1' | H1' | 119.0° | 120.0° |
| C1' | C2' | C3' | 120.0° | 120.0° |
| C1' | C2' | H2' | 119.4° | 120.0° |
| C6' | C1' | H1' | 120.9° | 120.0° |
| C1' | C6' | C5' | 119.8° | 120.0° |
| C1' | C6' | H6' | 120.5° | 120.0° |
| C3' | C2' | H2' | 120.6° | 120.0° |
| C2' | C3' | C4' | 120.8° | 120.0° |
| C2' | C3' | H3' | 119.5° | 120.0° |
| C4' | C3' | H3' | 119.7° | 120.0° |
| C3' | C4' | C5' | 118.9° | 120.0° |
| C3' | C4' | C7' | 120.3° | 120.0° |
| C5' | C4' | C7' | 120.7° | 120.0° |
| C4' | C5' | C6' | 120.4° | 120.0° |
| C4' | C5' | H5' | 120.1° | 120.0° |
| C4' | C7' | O8' | 109.1° | 109.5° |
| C4' | C7' | H7'1 | 112.3° | 109.4° |
| C4' | C7' | H7'2 | 112.3° | 109.5° |
| C6' | C5' | H5' | 119.5° | 120.0° |
| C5' | C6' | H6' | 119.7° | 120.0° |
| O8' | C7' | H7'1 | 112.4° | 109.5° |
| O8' | C7' | H7'2 | 112.4° | 109.5° |
| C7' | O8' | C9' | 125.1° | 120.0° |
| H7'1 | C7' | H7'2 | 98.1° | 109.5° |
| O8' | C9' | OA' | 121.3° | 120.0° |
| O8' | C9' | NO' | 115.9° | 120.0° |
| OA' | C9' | NO' | 122.8° | 120.0° |
| C9' | NO' | CB' | 122.3° | 120.0° |
| C9' | NO' | HN2 | 114.0° | 120.0° |
| CC' | CB' | CH' | 112.3° | 109.5° |
| CC' | CB' | NO' | 110.5° | 109.5° |
| CC' | CB' | H11' | 107.6° | 109.5° |
| CB' | CC' | CE' | 122.7° | 109.5° |
| CB' | CC' | H12A | 107.5° | 109.4° |
| CB' | CC' | H12B | 107.5° | 109.5° |
| CH' | CB' | NO' | 111.7° | 109.5° |
| CH' | CB' | H11' | 106.2° | 109.5° |
| CB' | CH' | OI' | 119.4° | 120.0° |
| CB' | CH' | NJ' | 119.6° | 120.0° |
| NO' | CB' | H11' | 108.2° | 109.5° |
| CB' | NO' | HN2 | 123.7° | 120.0° |
| CE' | CC' | H12A | 107.5° | 109.4° |
| CE' | CC' | H12B | 107.5° | 109.5° |
| CC' | CE' | CF' | 113.5° | 109.5° |
| CC' | CE' | CG' | 112.5° | 109.5° |
| CC' | CE' | H14' | 104.8° | 109.4° |
| H12A | CC' | H12B | 102.3° | 109.5° |
| CF' | CE' | CG' | 110.9° | 109.5° |
| CF' | CE' | H14' | 106.7° | 109.5° |
| CE' | CF' | H15A | 113.5° | 109.5° |
| CE' | CF' | H15B | 110.7° | 109.4° |
| CE' | CF' | H15C | 110.7° | 109.5° |
| CG' | CE' | H14' | 107.8° | 109.5° |
| CE' | CG' | H16A | 112.5° | 109.5° |
| CE' | CG' | H16B | 111.1° | 109.5° |
| CE' | CG' | H16C | 111.1° | 109.4° |
| H15A | CF' | H15B | 110.7° | 109.4° |
| H15A | CF' | H15C | 110.7° | 109.6° |
| H15B | CF' | H15C | 99.6° | 109.4° |
| H16A | CG' | H16B | 111.1° | 109.5° |
| H16A | CG' | H16C | 111.1° | 109.4° |
| H16B | CG' | H16C | 99.2° | 109.4° |
| OI' | CH' | NJ' | 121.0° | 120.0° |
| CH' | NJ' | NK' | 121.4° | 120.0° |
| CH' | NJ' | HN9 | 114.3° | 120.0° |
| NK' | NJ' | HN9 | 124.3° | 120.0° |
| NJ' | NK' | HN0 | 120.3° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.9° |
| C1 | C2 | C3 | H2 | 180.0° | 180.0° |
| C1 | C2 | C3 | C4 | 0.1° | 0.1° |
| C1 | C2 | C3 | H3 | 180.0° | 180.0° |
| C2 | C1 | C6 | C5 | 0.1° | 0.2° |
| C2 | C1 | C6 | H6 | 179.9° | 180.0° |
| C6 | C1 | C2 | C3 | 0.1° | 0.0° |
| C6 | C1 | C2 | H2 | 179.9° | 180.0° |
| C1 | C6 | C5 | C4 | 0.0° | 0.5° |
| C1 | C6 | C5 | H6 | 180.0° | 179.8° |
| C1 | C6 | C5 | H5 | 179.9° | 180.0° |
| H1 | C1 | C2 | C3 | 179.9° | 180.0° |
| H1 | C1 | C2 | H2 | 0.1° | 0.1° |
| H1 | C1 | C6 | C5 | 180.0° | 179.8° |
| H1 | C1 | C6 | H6 | 0.0° | 0.1° |
| C2 | C3 | C4 | H3 | 180.0° | 179.9° |
| C2 | C3 | C4 | C5 | 0.0° | 0.4° |
| C2 | C3 | C4 | C7 | 179.4° | 180.0° |
| H2 | C2 | C3 | C4 | 179.9° | 179.9° |
| H2 | C2 | C3 | H3 | 0.0° | 0.0° |
| C3 | C4 | C5 | C7 | 179.4° | 179.6° |
| C3 | C4 | C5 | C6 | 0.1° | 0.6° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C3 | C4 | C7 | O8 | 119.4° | 90.0° |
| C3 | C4 | C7 | H71 | 115.4° | 29.9° |
| C3 | C4 | C7 | H72 | 5.9° | 149.9° |
| H3 | C3 | C4 | C5 | 180.0° | 179.8° |
| H3 | C3 | C4 | C7 | 0.6° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.5° |
| C4 | C5 | C6 | H6 | 180.0° | 179.7° |
| C5 | C4 | C7 | O8 | 61.2° | 90.3° |
| C5 | C4 | C7 | H71 | 64.0° | 149.7° |
| C5 | C4 | C7 | H72 | 173.5° | 29.7° |
| C7 | C4 | C5 | C6 | 179.4° | 179.8° |
| C7 | C4 | C5 | H5 | 0.5° | 0.3° |
| C4 | C7 | O8 | H71 | 125.2° | 120.0° |
| C4 | C7 | O8 | H72 | 125.3° | 120.0° |
| C4 | C7 | H71 | H72 | 115.5° | 120.0° |
| C4 | C7 | O8 | C9 | 69.7° | 179.9° |
| H5 | C5 | C6 | H6 | 0.0° | 0.2° |
| O8 | C7 | H71 | H72 | 115.5° | 120.0° |
| C7 | O8 | C9 | O10 | 38.4° | 0.1° |
| C7 | O8 | C9 | N24 | 142.1° | 180.0° |
| H71 | C7 | O8 | C9 | 55.5° | 60.1° |
| H72 | C7 | O8 | C9 | 165.0° | 59.9° |
| O8 | C9 | O10 | N24 | 179.4° | 179.9° |
| O8 | C9 | N24 | C11 | 178.9° | 177.6° |
| O8 | C9 | N24 | HN4 | 1.2° | 2.3° |
| O10 | C9 | N24 | C11 | 0.6° | 2.3° |
| O10 | C9 | N24 | HN4 | 179.4° | 177.7° |
| C9 | N24 | C11 | C12 | 118.9° | 107.6° |
| C9 | N24 | C11 | C17 | 113.9° | 132.4° |
| C9 | N24 | C11 | HN4 | 179.9° | 180.0° |
| C9 | N24 | C11 | H11 | 1.3° | 12.4° |
| C12 | C11 | C17 | N24 | 126.0° | 120.0° |
| C12 | C11 | C17 | H11 | 117.3° | 120.0° |
| C12 | C11 | N24 | H11 | 117.6° | 120.0° |
| C11 | C12 | C14 | H121 | 125.3° | 120.0° |
| C11 | C12 | C14 | H122 | 125.3° | 120.0° |
| C11 | C12 | H121 | H122 | 114.1° | 120.0° |
| C11 | C12 | C14 | C15 | 150.6° | 174.3° |
| C11 | C12 | C14 | C16 | 24.7° | 65.7° |
| C11 | C12 | C14 | H14 | 91.2° | 54.2° |
| C12 | C11 | C17 | S18 | 146.8° | 60.0° |
| C12 | C11 | C17 | N19 | 32.4° | 119.7° |
| C12 | C11 | N24 | HN4 | 61.0° | 72.4° |
| C17 | C11 | N24 | H11 | 115.2° | 120.0° |
| C17 | C11 | C12 | C14 | 134.2° | 178.4° |
| C17 | C11 | C12 | H121 | 100.5° | 61.6° |
| C17 | C11 | C12 | H122 | 9.0° | 58.4° |
| C11 | C17 | S18 | N19 | 179.4° | 179.8° |
| C11 | C17 | S18 | C42 | 178.9° | 180.0° |
| C11 | C17 | N19 | C20 | 179.3° | 179.8° |
| C17 | C11 | N24 | HN4 | 66.2° | 47.6° |
| N24 | C11 | C12 | C14 | 98.1° | 61.6° |
| N24 | C11 | C12 | H121 | 27.1° | 58.4° |
| N24 | C11 | C12 | H122 | 136.6° | 178.4° |
| N24 | C11 | C17 | S18 | 87.2° | 60.0° |
| N24 | C11 | C17 | N19 | 93.6° | 120.3° |
| H11 | C11 | C12 | C14 | 19.0° | 58.4° |
| H11 | C11 | C12 | H121 | 144.2° | 178.4° |
| H11 | C11 | C12 | H122 | 106.3° | 61.6° |
| H11 | C11 | C17 | S18 | 29.5° | 180.0° |
| H11 | C11 | C17 | N19 | 149.7° | 0.3° |
| H11 | C11 | N24 | HN4 | 178.6° | 167.6° |
| C14 | C12 | H121 | H122 | 114.0° | 119.9° |
| C12 | C14 | C15 | C16 | 127.1° | 120.0° |
| C12 | C14 | C15 | H14 | 116.6° | 120.0° |
| C12 | C14 | C16 | H14 | 116.3° | 119.9° |
| C12 | C14 | C15 | H151 | 180.0° | 60.0° |
| C12 | C14 | C15 | H152 | 54.8° | 60.0° |
| C12 | C14 | C15 | H153 | 54.7° | 180.0° |
| C12 | C14 | C16 | H161 | 180.0° | 55.1° |
| C12 | C14 | C16 | H162 | 54.7° | 64.9° |
| C12 | C14 | C16 | H163 | 54.8° | 175.0° |
| H121 | C12 | C14 | C15 | 25.3° | 54.2° |
| H121 | C12 | C14 | C16 | 100.5° | 174.2° |
| H121 | C12 | C14 | H14 | 143.5° | 65.8° |
| H122 | C12 | C14 | C15 | 84.1° | 65.7° |
| H122 | C12 | C14 | C16 | 150.0° | 54.3° |
| H122 | C12 | C14 | H14 | 34.0° | 174.3° |
| C15 | C14 | C16 | H14 | 118.1° | 120.0° |
| C14 | C15 | H151 | H152 | 125.3° | 120.0° |
| C14 | C15 | H151 | H153 | 125.3° | 120.0° |
| C14 | C15 | H152 | H153 | 117.7° | 120.0° |
| C15 | C14 | C16 | H161 | 54.5° | 65.0° |
| C15 | C14 | C16 | H162 | 179.7° | 175.0° |
| C15 | C14 | C16 | H163 | 70.8° | 55.0° |
| C16 | C14 | C15 | H151 | 52.9° | 180.0° |
| C16 | C14 | C15 | H152 | 72.3° | 60.0° |
| C16 | C14 | C15 | H153 | 178.2° | 60.0° |
| C14 | C16 | H161 | H162 | 125.2° | 120.0° |
| C14 | C16 | H161 | H163 | 125.2° | 120.0° |
| C14 | C16 | H162 | H163 | 116.6° | 120.0° |
| H14 | C14 | C15 | H151 | 63.3° | 60.0° |
| H14 | C14 | C15 | H152 | 171.4° | 180.0° |
| H14 | C14 | C15 | H153 | 61.9° | 60.0° |
| H14 | C14 | C16 | H161 | 63.7° | 175.0° |
| H14 | C14 | C16 | H162 | 61.6° | 55.0° |
| H14 | C14 | C16 | H163 | 171.1° | 65.0° |
| H151 | C15 | H152 | H153 | 117.6° | 120.0° |
| H161 | C16 | H162 | H163 | 116.6° | 120.0° |
| S18 | C17 | N19 | C20 | 0.0° | 0.4° |
| C17 | S18 | C42 | C20 | 0.9° | 0.0° |
| C17 | S18 | C42 | H42 | 179.0° | 180.0° |
| N19 | C17 | S18 | C42 | 0.5° | 0.2° |
| C17 | N19 | C20 | C42 | 0.6° | 0.5° |
| C17 | N19 | C20 | C21 | 174.6° | 179.8° |
| S18 | C42 | C20 | N19 | 1.0° | 0.2° |
| S18 | C42 | C20 | H42 | 180.0° | 180.0° |
| S18 | C42 | C20 | C21 | 173.9° | 180.0° |
| N19 | C20 | C42 | C21 | 174.9° | 179.8° |
| N19 | C20 | C42 | H42 | 178.9° | 179.8° |
| N19 | C20 | C21 | O22 | 32.7° | 179.8° |
| N19 | C20 | C21 | NK' | 76.9° | 0.3° |
| C42 | C20 | C21 | O22 | 141.4° | 0.1° |
| C42 | C20 | C21 | NK' | 109.0° | 180.0° |
| C21 | C20 | C42 | H42 | 6.1° | 0.0° |
| C20 | C21 | O22 | NK' | 118.8° | 179.9° |
| C20 | C21 | NK' | NJ' | 106.8° | 180.0° |
| C20 | C21 | NK' | HN0 | 73.2° | 0.0° |
| O22 | C21 | NK' | NJ' | 153.1° | 0.1° |
| O22 | C21 | NK' | HN0 | 26.9° | 179.9° |
| C21 | NK' | NJ' | CH' | 98.5° | 179.9° |
| C21 | NK' | NJ' | HN0 | 180.0° | 180.0° |
| C21 | NK' | NJ' | HN9 | 81.5° | 0.0° |
| C2' | C1' | C6' | H1' | 180.0° | 180.0° |
| C1' | C2' | C3' | H2' | 180.0° | 180.0° |
| C1' | C2' | C3' | C4' | 0.4° | 0.1° |
| C1' | C2' | C3' | H3' | 179.6° | 179.9° |
| C2' | C1' | C6' | C5' | 0.1° | 0.2° |
| C2' | C1' | C6' | H6' | 179.9° | 180.0° |
| C6' | C1' | C2' | C3' | 0.1° | 0.0° |
| C6' | C1' | C2' | H2' | 180.0° | 180.0° |
| C1' | C6' | C5' | C4' | 0.5° | 0.4° |
| C1' | C6' | C5' | H6' | 180.0° | 179.9° |
| C1' | C6' | C5' | H5' | 179.5° | 179.9° |
| H1' | C1' | C2' | C3' | 180.0° | 180.0° |
| H1' | C1' | C2' | H2' | 0.0° | 0.0° |
| H1' | C1' | C6' | C5' | 179.9° | 179.8° |
| H1' | C1' | C6' | H6' | 0.1° | 0.1° |
| C2' | C3' | C4' | H3' | 180.0° | 179.9° |
| C2' | C3' | C4' | C5' | 0.8° | 0.3° |
| C2' | C3' | C4' | C7' | 176.3° | 180.0° |
| H2' | C2' | C3' | C4' | 179.6° | 179.9° |
| H2' | C2' | C3' | H3' | 0.4° | 0.0° |
| C3' | C4' | C5' | C7' | 177.1° | 179.7° |
| C3' | C4' | C5' | C6' | 0.8° | 0.5° |
| C3' | C4' | C5' | H5' | 179.2° | 180.0° |
| C3' | C4' | C7' | O8' | 99.7° | 90.0° |
| C3' | C4' | C7' | H7'1 | 135.1° | 30.0° |
| C3' | C4' | C7' | H7'2 | 25.6° | 150.0° |
| H3' | C3' | C4' | C5' | 179.2° | 179.8° |
| H3' | C3' | C4' | C7' | 3.7° | 0.1° |
| C4' | C5' | C6' | H5' | 180.0° | 179.5° |
| C4' | C5' | C6' | H6' | 179.5° | 179.7° |
| C5' | C4' | C7' | O8' | 77.4° | 90.3° |
| C5' | C4' | C7' | H7'1 | 47.9° | 149.7° |
| C5' | C4' | C7' | H7'2 | 157.3° | 29.7° |
| C7' | C4' | C5' | C6' | 176.3° | 179.8° |
| C7' | C4' | C5' | H5' | 3.7° | 0.3° |
| C4' | C7' | O8' | H7'1 | 125.2° | 120.0° |
| C4' | C7' | O8' | H7'2 | 125.2° | 120.0° |
| C4' | C7' | H7'1 | H7'2 | 118.2° | 120.0° |
| C4' | C7' | O8' | C9' | 38.1° | 180.0° |
| H5' | C5' | C6' | H6' | 0.5° | 0.2° |
| O8' | C7' | H7'1 | H7'2 | 118.3° | 120.1° |
| C7' | O8' | C9' | OA' | 72.1° | 0.0° |
| C7' | O8' | C9' | NO' | 107.8° | 179.9° |
| H7'1 | C7' | O8' | C9' | 163.4° | 60.0° |
| H7'2 | C7' | O8' | C9' | 87.1° | 60.0° |
| O8' | C9' | OA' | NO' | 179.8° | 180.0° |
| O8' | C9' | NO' | CB' | 179.9° | 176.6° |
| O8' | C9' | NO' | HN2 | 0.1° | 3.3° |
| OA' | C9' | NO' | CB' | 0.3° | 3.4° |
| OA' | C9' | NO' | HN2 | 179.7° | 176.6° |
| C9' | NO' | CB' | CC' | 109.0° | 108.0° |
| C9' | NO' | CB' | CH' | 125.2° | 132.0° |
| C9' | NO' | CB' | HN2 | 180.0° | 180.0° |
| C9' | NO' | CB' | H11' | 8.6° | 12.1° |
| CC' | CB' | CH' | NO' | 124.8° | 120.0° |
| CC' | CB' | CH' | H11' | 117.4° | 120.0° |
| CC' | CB' | NO' | H11' | 117.6° | 120.0° |
| CB' | CC' | CE' | H12A | 125.2° | 119.9° |
| CB' | CC' | CE' | H12B | 125.3° | 120.1° |
| CB' | CC' | H12A | H12B | 113.0° | 120.0° |
| CB' | CC' | CE' | CF' | 80.0° | 173.9° |
| CB' | CC' | CE' | CG' | 47.1° | 66.1° |
| CB' | CC' | CE' | H14' | 164.0° | 54.0° |
| CC' | CB' | CH' | OI' | 98.4° | 120.0° |
| CC' | CB' | CH' | NJ' | 82.4° | 60.1° |
| CC' | CB' | NO' | HN2 | 71.0° | 72.0° |
| CH' | CB' | NO' | H11' | 116.6° | 120.0° |
| CH' | CB' | CC' | CE' | 79.2° | 175.4° |
| CH' | CB' | CC' | H12A | 46.0° | 55.5° |
| CH' | CB' | CC' | H12B | 155.5° | 64.5° |
| CB' | CH' | OI' | NJ' | 179.1° | 179.9° |
| CB' | CH' | NJ' | NK' | 178.2° | 180.0° |
| CB' | CH' | NJ' | HN9 | 1.8° | 0.1° |
| CH' | CB' | NO' | HN2 | 54.8° | 48.0° |
| NO' | CB' | CC' | CE' | 46.2° | 64.6° |
| NO' | CB' | CC' | H12A | 171.5° | 175.5° |
| NO' | CB' | CC' | H12B | 79.1° | 55.5° |
| NO' | CB' | CH' | OI' | 26.3° | 0.0° |
| NO' | CB' | CH' | NJ' | 152.8° | 179.9° |
| H11' | CB' | CC' | CE' | 164.2° | 55.4° |
| H11' | CB' | CC' | H12A | 70.6° | 64.5° |
| H11' | CB' | CC' | H12B | 38.9° | 175.5° |
| H11' | CB' | CH' | OI' | 144.1° | 120.0° |
| H11' | CB' | CH' | NJ' | 35.0° | 60.0° |
| H11' | CB' | NO' | HN2 | 171.4° | 168.0° |
| CE' | CC' | H12A | H12B | 113.1° | 120.1° |
| CC' | CE' | CF' | CG' | 127.9° | 120.0° |
| CC' | CE' | CF' | H14' | 115.0° | 119.9° |
| CC' | CE' | CG' | H14' | 115.1° | 120.0° |
| CC' | CE' | CF' | H15A | 180.0° | 179.9° |
| CC' | CE' | CF' | H15B | 54.7° | 60.0° |
| CC' | CE' | CF' | H15C | 54.7° | 59.9° |
| CC' | CE' | CG' | H16A | 180.0° | 54.4° |
| CC' | CE' | CG' | H16B | 54.7° | 65.7° |
| CC' | CE' | CG' | H16C | 54.7° | 174.3° |
| H12A | CC' | CE' | CF' | 154.8° | 66.1° |
| H12A | CC' | CE' | CG' | 78.2° | 53.8° |
| H12A | CC' | CE' | H14' | 38.7° | 173.9° |
| H12B | CC' | CE' | CF' | 45.3° | 53.9° |
| H12B | CC' | CE' | CG' | 172.3° | 173.9° |
| H12B | CC' | CE' | H14' | 70.7° | 66.1° |
| CF' | CE' | CG' | H14' | 116.5° | 120.0° |
| CE' | CF' | H15A | H15B | 125.3° | 119.9° |
| CE' | CF' | H15A | H15C | 125.2° | 120.1° |
| CE' | CF' | H15B | H15C | 116.5° | 120.0° |
| CF' | CE' | CG' | H16A | 51.6° | 65.6° |
| CF' | CE' | CG' | H16B | 73.7° | 174.3° |
| CF' | CE' | CG' | H16C | 176.9° | 54.4° |
| CG' | CE' | CF' | H15A | 52.1° | 60.1° |
| CG' | CE' | CF' | H15B | 177.4° | 180.0° |
| CG' | CE' | CF' | H15C | 73.1° | 60.1° |
| CE' | CG' | H16A | H16B | 125.3° | 120.1° |
| CE' | CG' | H16A | H16C | 125.3° | 119.9° |
| CE' | CG' | H16B | H16C | 117.0° | 120.0° |
| H14' | CE' | CF' | H15A | 65.1° | 60.0° |
| H14' | CE' | CF' | H15B | 60.2° | 59.9° |
| H14' | CE' | CF' | H15C | 169.7° | 179.9° |
| H14' | CE' | CG' | H16A | 64.9° | 174.4° |
| H14' | CE' | CG' | H16B | 169.8° | 54.3° |
| H14' | CE' | CG' | H16C | 60.4° | 65.7° |
| H15A | CF' | H15B | H15C | 116.6° | 120.0° |
| H16A | CG' | H16B | H16C | 117.0° | 120.0° |
| OI' | CH' | NJ' | NK' | 0.9° | 0.1° |
| OI' | CH' | NJ' | HN9 | 179.1° | 180.0° |
| CH' | NJ' | NK' | HN9 | 179.9° | 179.9° |
| CH' | NJ' | NK' | HN0 | 81.5° | 0.1° |
| HN9 | NJ' | NK' | HN0 | 98.4° | 180.0° |
