R94
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O62 | C61 | doub | 1.22Å | 1.23Å | |
| C61 | C71 | sing | 1.47Å | 1.47Å | |
| C61 | C54 | sing | 1.48Å | 1.46Å | |
| C71 | C72 | doub | 1.40Å | 1.40Å | Aromatic |
| C71 | C76 | sing | 1.40Å | 1.42Å | Aromatic |
| C72 | C73 | sing | 1.39Å | 1.41Å | Aromatic |
| C72 | O92 | sing | 1.36Å | 1.38Å | |
| C73 | C74 | doub | 1.38Å | 1.39Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C74 | C75 | sing | 1.39Å | 1.41Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C75 | N91 | sing | 1.40Å | 1.38Å | |
| C75 | C76 | doub | 1.38Å | 1.41Å | Aromatic |
| N91 | C92 | sing | 1.47Å | 1.48Å | |
| N91 | C96 | sing | 1.47Å | 1.48Å | |
| C92 | C93 | sing | 1.53Å | 1.53Å | |
| C92 | H921 | sing | 1.09Å | 1.12Å | |
| C92 | H922 | sing | 1.09Å | 1.11Å | |
| C93 | C94 | sing | 1.53Å | 1.53Å | |
| C93 | H931 | sing | 1.09Å | 1.12Å | |
| C93 | H932 | sing | 1.09Å | 1.11Å | |
| C94 | C95 | sing | 1.53Å | 1.54Å | |
| C94 | H941 | sing | 1.09Å | 1.11Å | |
| C94 | H942 | sing | 1.09Å | 1.12Å | |
| C95 | C96 | sing | 1.53Å | 1.53Å | |
| C95 | H951 | sing | 1.09Å | 1.11Å | |
| C95 | H952 | sing | 1.09Å | 1.12Å | |
| C96 | H961 | sing | 1.09Å | 1.12Å | |
| C96 | H962 | sing | 1.09Å | 1.11Å | |
| C76 | H76 | sing | 1.08Å | 1.10Å | |
| O92 | H92 | sing | 0.97Å | 0.95Å | |
| C54 | C55 | doub | 1.40Å | 1.41Å | Aromatic |
| C54 | C53 | sing | 1.40Å | 1.40Å | Aromatic |
| C55 | C56 | sing | 1.38Å | 1.39Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C56 | C51 | doub | 1.40Å | 1.41Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C53 | C52 | doub | 1.38Å | 1.39Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C52 | C51 | sing | 1.40Å | 1.40Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C51 | C42 | sing | 1.48Å | 1.46Å | |
| C42 | O43 | doub | 1.22Å | 1.24Å | |
| C42 | N41 | sing | 1.35Å | 1.39Å | |
| N41 | C37 | sing | 1.47Å | 1.50Å | |
| N41 | H41 | sing | 0.97Å | 1.02Å | |
| C37 | C36 | sing | 1.56Å | 1.54Å | |
| C37 | C31 | sing | 1.51Å | 1.55Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| C36 | C35 | sing | 1.46Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C34 | N33 | sing | 1.44Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| N33 | C32 | sing | 1.48Å | 1.51Å | |
| N33 | H33 | sing | 1.01Å | 1.02Å | |
| C32 | C31 | sing | 1.54Å | 1.54Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.11Å | |
| C31 | N23 | sing | 1.47Å | 1.48Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| N23 | C21 | sing | 1.35Å | 1.39Å | |
| N23 | H23 | sing | 0.97Å | 1.02Å | |
| C21 | O22 | doub | 1.22Å | 1.24Å | |
| C21 | C14 | sing | 1.48Å | 1.46Å | |
| C14 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.39Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.39Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | N11 | doub | 1.32Å | 1.34Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N11 | C16 | sing | 1.32Å | 1.33Å | Aromatic |
| C16 | C15 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O62 | C61 | C71 | 117.9° | 120.0° |
| O62 | C61 | C54 | 114.5° | 120.0° |
| C71 | C61 | C54 | 126.9° | 120.0° |
| C61 | C71 | C72 | 124.6° | 120.1° |
| C61 | C71 | C76 | 116.5° | 120.2° |
| C61 | C54 | C55 | 120.7° | 120.0° |
| C61 | C54 | C53 | 119.0° | 120.0° |
| C72 | C71 | C76 | 118.9° | 119.7° |
| C71 | C72 | C73 | 120.0° | 119.9° |
| C71 | C72 | O92 | 121.1° | 120.1° |
| C71 | C76 | C75 | 121.7° | 119.8° |
| C71 | C76 | H76 | 119.6° | 120.1° |
| C73 | C72 | O92 | 118.8° | 120.0° |
| C72 | C73 | C74 | 120.0° | 120.1° |
| C72 | C73 | H73 | 120.7° | 120.0° |
| C72 | O92 | H92 | 121.1° | 106.8° |
| C74 | C73 | H73 | 119.3° | 119.9° |
| C73 | C74 | C75 | 121.4° | 120.4° |
| C73 | C74 | H74 | 118.6° | 119.8° |
| C75 | C74 | H74 | 120.0° | 119.8° |
| C74 | C75 | N91 | 120.6° | 119.9° |
| C74 | C75 | C76 | 117.9° | 120.1° |
| N91 | C75 | C76 | 121.5° | 120.0° |
| C75 | N91 | C92 | 117.8° | 106.8° |
| C75 | N91 | C96 | 118.8° | 106.7° |
| C75 | C76 | H76 | 118.7° | 120.0° |
| C92 | N91 | C96 | 116.5° | 107.4° |
| N91 | C92 | C93 | 110.7° | 109.8° |
| N91 | C92 | H921 | 111.7° | 109.4° |
| N91 | C92 | H922 | 111.7° | 109.4° |
| N91 | C96 | C95 | 109.8° | 109.8° |
| N91 | C96 | H961 | 112.1° | 109.5° |
| N91 | C96 | H962 | 112.1° | 109.4° |
| C93 | C92 | H921 | 111.7° | 109.5° |
| C93 | C92 | H922 | 111.7° | 109.4° |
| C92 | C93 | C94 | 110.0° | 109.2° |
| C92 | C93 | H931 | 112.1° | 109.6° |
| C92 | C93 | H932 | 112.0° | 109.5° |
| H921 | C92 | H922 | 98.7° | 109.3° |
| C94 | C93 | H931 | 112.0° | 109.5° |
| C94 | C93 | H932 | 112.0° | 109.5° |
| C93 | C94 | C95 | 110.1° | 108.9° |
| C93 | C94 | H941 | 111.9° | 109.6° |
| C93 | C94 | H942 | 112.0° | 109.5° |
| H931 | C93 | H932 | 98.4° | 109.6° |
| C95 | C94 | H941 | 112.0° | 109.5° |
| C95 | C94 | H942 | 111.9° | 109.6° |
| C94 | C95 | C96 | 110.5° | 109.2° |
| C94 | C95 | H951 | 111.8° | 109.5° |
| C94 | C95 | H952 | 111.8° | 109.5° |
| H941 | C94 | H942 | 98.5° | 109.7° |
| C96 | C95 | H951 | 111.8° | 109.5° |
| C96 | C95 | H952 | 111.8° | 109.5° |
| C95 | C96 | H961 | 112.1° | 109.5° |
| C95 | C96 | H962 | 112.0° | 109.4° |
| H951 | C95 | H952 | 98.6° | 109.6° |
| H961 | C96 | H962 | 98.4° | 109.4° |
| C55 | C54 | C53 | 120.2° | 120.0° |
| C54 | C55 | C56 | 119.5° | 120.0° |
| C54 | C55 | H55 | 121.0° | 120.0° |
| C54 | C53 | C52 | 120.1° | 119.9° |
| C54 | C53 | H53 | 120.6° | 120.0° |
| C56 | C55 | H55 | 119.5° | 120.0° |
| C55 | C56 | C51 | 120.0° | 120.0° |
| C55 | C56 | H56 | 119.4° | 120.0° |
| C51 | C56 | H56 | 120.6° | 120.1° |
| C56 | C51 | C52 | 120.2° | 120.0° |
| C56 | C51 | C42 | 119.6° | 120.0° |
| C52 | C53 | H53 | 119.3° | 120.0° |
| C53 | C52 | C51 | 120.0° | 120.0° |
| C53 | C52 | H52 | 119.4° | 120.0° |
| C51 | C52 | H52 | 120.6° | 120.0° |
| C52 | C51 | C42 | 120.1° | 120.0° |
| C51 | C42 | O43 | 122.4° | 120.0° |
| C51 | C42 | N41 | 117.9° | 120.0° |
| O43 | C42 | N41 | 119.6° | 120.0° |
| C42 | N41 | C37 | 120.7° | 120.0° |
| C42 | N41 | H41 | 116.0° | 120.0° |
| C37 | N41 | H41 | 123.4° | 119.9° |
| N41 | C37 | C36 | 106.8° | 109.6° |
| N41 | C37 | C31 | 111.3° | 109.6° |
| N41 | C37 | H37 | 114.1° | 109.5° |
| C36 | C37 | C31 | 119.0° | 108.9° |
| C36 | C37 | H37 | 105.4° | 109.6° |
| C37 | C36 | C35 | 116.8° | 109.8° |
| C37 | C36 | H361 | 109.6° | 109.4° |
| C37 | C36 | H362 | 109.5° | 109.4° |
| C31 | C37 | H37 | 100.3° | 109.6° |
| C37 | C31 | C32 | 117.7° | 114.6° |
| C37 | C31 | N23 | 110.8° | 108.5° |
| C37 | C31 | H31 | 101.8° | 108.2° |
| C35 | C36 | H361 | 109.5° | 109.5° |
| C35 | C36 | H362 | 109.6° | 109.4° |
| C36 | C35 | C34 | 110.9° | 113.9° |
| C36 | C35 | H351 | 111.7° | 108.6° |
| C36 | C35 | H352 | 111.7° | 108.6° |
| H361 | C36 | H362 | 100.6° | 109.3° |
| C34 | C35 | H351 | 111.7° | 108.6° |
| C34 | C35 | H352 | 111.7° | 108.6° |
| C35 | C34 | N33 | 109.9° | 106.9° |
| C35 | C34 | H341 | 112.0° | 109.9° |
| C35 | C34 | H342 | 112.1° | 109.9° |
| H351 | C35 | H352 | 98.7° | 108.4° |
| N33 | C34 | H341 | 112.1° | 110.0° |
| N33 | C34 | H342 | 112.1° | 110.0° |
| C34 | N33 | C32 | 114.3° | 108.7° |
| C34 | N33 | H33 | 110.5° | 106.7° |
| H341 | C34 | H342 | 98.4° | 110.1° |
| C32 | N33 | H33 | 110.5° | 106.7° |
| N33 | C32 | C31 | 110.8° | 114.0° |
| N33 | C32 | H321 | 111.7° | 108.6° |
| N33 | C32 | H322 | 111.7° | 108.6° |
| C31 | C32 | H321 | 111.7° | 108.7° |
| C31 | C32 | H322 | 111.7° | 108.4° |
| C32 | C31 | N23 | 106.8° | 108.5° |
| C32 | C31 | H31 | 106.2° | 108.5° |
| H321 | C32 | H322 | 98.6° | 108.4° |
| N23 | C31 | H31 | 113.7° | 108.4° |
| C31 | N23 | C21 | 119.8° | 120.0° |
| C31 | N23 | H23 | 123.3° | 119.9° |
| C21 | N23 | H23 | 116.9° | 120.0° |
| N23 | C21 | O22 | 118.1° | 119.9° |
| N23 | C21 | C14 | 121.5° | 120.0° |
| O22 | C21 | C14 | 120.3° | 120.1° |
| C21 | C14 | C13 | 118.6° | 120.9° |
| C21 | C14 | C15 | 123.3° | 121.0° |
| C13 | C14 | C15 | 118.1° | 118.1° |
| C14 | C13 | C12 | 119.0° | 119.0° |
| C14 | C13 | H13 | 121.0° | 120.5° |
| C14 | C15 | C16 | 119.1° | 119.0° |
| C14 | C15 | H15 | 120.4° | 120.5° |
| C12 | C13 | H13 | 120.0° | 120.5° |
| C13 | C12 | N11 | 121.8° | 120.9° |
| C13 | C12 | H12 | 121.1° | 119.6° |
| N11 | C12 | H12 | 117.1° | 119.6° |
| C12 | N11 | C16 | 119.6° | 122.1° |
| N11 | C16 | C15 | 122.2° | 120.9° |
| N11 | C16 | H16 | 116.7° | 119.5° |
| C15 | C16 | H16 | 121.1° | 119.6° |
| C16 | C15 | H15 | 120.5° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O62 | C61 | C71 | C54 | 170.2° | 180.0° |
| O62 | C61 | C71 | C72 | 124.4° | 103.8° |
| O62 | C61 | C71 | C76 | 55.1° | 75.6° |
| O62 | C61 | C54 | C55 | 154.6° | 5.5° |
| O62 | C61 | C54 | C53 | 22.1° | 174.3° |
| C61 | C71 | C72 | C76 | 179.5° | 179.4° |
| C61 | C71 | C72 | C73 | 178.7° | 180.0° |
| C61 | C71 | C72 | O92 | 0.4° | 0.3° |
| C61 | C71 | C76 | C75 | 178.6° | 180.0° |
| C61 | C71 | C76 | H76 | 1.4° | 0.3° |
| C71 | C61 | C54 | C55 | 15.9° | 174.6° |
| C71 | C61 | C54 | C53 | 167.4° | 5.7° |
| C54 | C61 | C71 | C72 | 65.4° | 76.3° |
| C54 | C61 | C71 | C76 | 115.1° | 104.4° |
| C61 | C54 | C55 | C53 | 176.7° | 179.7° |
| C61 | C54 | C55 | C56 | 177.0° | 180.0° |
| C61 | C54 | C55 | H55 | 3.0° | 0.1° |
| C61 | C54 | C53 | C52 | 177.1° | 179.7° |
| C61 | C54 | C53 | H53 | 2.9° | 0.3° |
| C71 | C72 | C73 | O92 | 179.2° | 179.7° |
| C71 | C72 | C73 | C74 | 0.8° | 0.3° |
| C71 | C72 | C73 | H73 | 179.1° | 179.7° |
| C72 | C71 | C76 | C75 | 0.9° | 0.6° |
| C72 | C71 | C76 | H76 | 179.0° | 179.7° |
| C71 | C72 | O92 | H92 | 180.0° | 90.4° |
| C76 | C71 | C72 | C73 | 0.8° | 0.6° |
| C76 | C71 | C72 | O92 | 179.9° | 179.7° |
| C71 | C76 | C75 | C74 | 1.1° | 0.3° |
| C71 | C76 | C75 | N91 | 180.0° | 179.8° |
| C71 | C76 | C75 | H76 | 180.0° | 179.7° |
| C72 | C73 | C74 | H73 | 180.0° | 180.0° |
| C72 | C73 | C74 | C75 | 1.1° | 0.0° |
| C72 | C73 | C74 | H74 | 178.9° | 179.9° |
| C73 | C72 | O92 | H92 | 0.8° | 90.0° |
| O92 | C72 | C73 | C74 | 180.0° | 180.0° |
| O92 | C72 | C73 | H73 | 0.0° | 0.0° |
| C73 | C74 | C75 | H74 | 180.0° | 180.0° |
| C73 | C74 | C75 | N91 | 179.9° | 179.9° |
| C73 | C74 | C75 | C76 | 1.2° | 0.0° |
| H73 | C73 | C74 | C75 | 178.9° | 180.0° |
| H73 | C73 | C74 | H74 | 1.1° | 0.0° |
| C74 | C75 | N91 | C76 | 178.9° | 179.9° |
| C74 | C75 | N91 | C92 | 25.1° | 0.0° |
| C74 | C75 | N91 | C96 | 174.9° | 114.5° |
| C74 | C75 | C76 | H76 | 178.8° | 180.0° |
| H74 | C74 | C75 | N91 | 0.1° | 0.0° |
| H74 | C74 | C75 | C76 | 178.8° | 179.9° |
| C75 | N91 | C92 | C96 | 150.6° | 114.1° |
| C75 | N91 | C92 | C93 | 156.0° | 179.8° |
| C75 | N91 | C92 | H921 | 78.7° | 59.6° |
| C75 | N91 | C92 | H922 | 30.7° | 60.1° |
| C75 | N91 | C96 | C95 | 156.3° | 179.7° |
| C75 | N91 | C96 | H961 | 31.0° | 60.1° |
| C75 | N91 | C96 | H962 | 78.5° | 59.7° |
| N91 | C75 | C76 | H76 | 0.1° | 0.1° |
| C76 | C75 | N91 | C92 | 156.1° | 180.0° |
| C76 | C75 | N91 | C96 | 6.2° | 65.4° |
| N91 | C92 | C93 | H921 | 125.3° | 120.1° |
| N91 | C92 | C93 | H922 | 125.2° | 120.1° |
| N91 | C92 | H921 | H922 | 117.6° | 119.8° |
| N91 | C92 | C93 | C94 | 53.7° | 61.4° |
| N91 | C92 | C93 | H931 | 179.0° | 178.7° |
| N91 | C92 | C93 | H932 | 71.6° | 58.5° |
| C92 | N91 | C96 | C95 | 53.4° | 65.6° |
| C92 | N91 | C96 | H961 | 178.7° | 174.2° |
| C92 | N91 | C96 | H962 | 71.8° | 54.4° |
| C96 | N91 | C92 | C93 | 53.4° | 65.6° |
| C96 | N91 | C92 | H921 | 71.8° | 54.5° |
| C96 | N91 | C92 | H922 | 178.7° | 174.3° |
| N91 | C96 | C95 | C94 | 54.4° | 61.4° |
| N91 | C96 | C95 | H961 | 125.3° | 120.2° |
| N91 | C96 | C95 | H962 | 125.3° | 120.0° |
| N91 | C96 | C95 | H951 | 179.6° | 178.7° |
| N91 | C96 | C95 | H952 | 70.9° | 58.6° |
| N91 | C96 | H961 | H962 | 118.0° | 119.8° |
| C93 | C92 | H921 | H922 | 117.7° | 119.8° |
| C92 | C93 | C94 | H931 | 125.3° | 120.0° |
| C92 | C93 | C94 | H932 | 125.3° | 119.9° |
| C92 | C93 | H931 | H932 | 117.9° | 120.2° |
| C92 | C93 | C94 | C95 | 57.6° | 55.6° |
| C92 | C93 | C94 | H941 | 67.7° | 64.2° |
| C92 | C93 | C94 | H942 | 177.2° | 175.4° |
| H921 | C92 | C93 | C94 | 71.5° | 58.7° |
| H921 | C92 | C93 | H931 | 53.7° | 61.2° |
| H921 | C92 | C93 | H932 | 163.2° | 178.6° |
| H922 | C92 | C93 | C94 | 178.9° | 178.5° |
| H922 | C92 | C93 | H931 | 55.8° | 58.6° |
| H922 | C92 | C93 | H932 | 53.7° | 61.6° |
| C94 | C93 | H931 | H932 | 117.9° | 120.1° |
| C93 | C94 | C95 | H941 | 125.2° | 119.8° |
| C93 | C94 | C95 | H942 | 125.2° | 119.8° |
| C93 | C94 | H941 | H942 | 117.9° | 120.3° |
| C93 | C94 | C95 | C96 | 58.4° | 55.6° |
| C93 | C94 | C95 | H951 | 176.4° | 175.5° |
| C93 | C94 | C95 | H952 | 66.9° | 64.3° |
| H931 | C93 | C94 | C95 | 177.1° | 175.6° |
| H931 | C93 | C94 | H941 | 57.6° | 55.7° |
| H931 | C93 | C94 | H942 | 51.9° | 64.7° |
| H932 | C93 | C94 | C95 | 67.7° | 64.3° |
| H932 | C93 | C94 | H941 | 167.1° | 175.9° |
| H932 | C93 | C94 | H942 | 57.6° | 55.5° |
| C95 | C94 | H941 | H942 | 117.9° | 120.3° |
| C94 | C95 | C96 | H951 | 125.3° | 119.9° |
| C94 | C95 | C96 | H952 | 125.2° | 119.9° |
| C94 | C95 | H951 | H952 | 117.7° | 120.1° |
| C94 | C95 | C96 | H961 | 179.7° | 178.5° |
| C94 | C95 | C96 | H962 | 70.9° | 58.7° |
| H941 | C94 | C95 | C96 | 66.9° | 64.2° |
| H941 | C94 | C95 | H951 | 58.4° | 55.7° |
| H941 | C94 | C95 | H952 | 167.9° | 175.8° |
| H942 | C94 | C95 | C96 | 176.4° | 175.4° |
| H942 | C94 | C95 | H951 | 51.1° | 64.7° |
| H942 | C94 | C95 | H952 | 58.4° | 55.4° |
| C96 | C95 | H951 | H952 | 117.7° | 120.2° |
| C95 | C96 | H961 | H962 | 118.0° | 119.8° |
| H951 | C95 | C96 | H961 | 55.1° | 58.6° |
| H951 | C95 | C96 | H962 | 54.4° | 61.2° |
| H952 | C95 | C96 | H961 | 54.4° | 61.6° |
| H952 | C95 | C96 | H962 | 163.9° | 178.6° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | C51 | 0.1° | 0.0° |
| C54 | C55 | C56 | H56 | 179.9° | 180.0° |
| C55 | C54 | C53 | C52 | 0.4° | 0.5° |
| C55 | C54 | C53 | H53 | 179.6° | 180.0° |
| C53 | C54 | C55 | C56 | 0.3° | 0.3° |
| C53 | C54 | C55 | H55 | 179.7° | 179.8° |
| C54 | C53 | C52 | H53 | 180.0° | 179.5° |
| C54 | C53 | C52 | C51 | 0.1° | 0.5° |
| C54 | C53 | C52 | H52 | 179.9° | 179.8° |
| C55 | C56 | C51 | H56 | 180.0° | 180.0° |
| C55 | C56 | C51 | C52 | 0.3° | 0.0° |
| C55 | C56 | C51 | C42 | 178.9° | 180.0° |
| H55 | C55 | C56 | C51 | 179.9° | 179.9° |
| H55 | C55 | C56 | H56 | 0.1° | 0.0° |
| C56 | C51 | C52 | C53 | 0.2° | 0.3° |
| C56 | C51 | C52 | C42 | 178.5° | 180.0° |
| C56 | C51 | C52 | H52 | 179.8° | 180.0° |
| C56 | C51 | C42 | O43 | 157.6° | 0.0° |
| C56 | C51 | C42 | N41 | 17.6° | 180.0° |
| H56 | C56 | C51 | C52 | 179.7° | 180.0° |
| H56 | C56 | C51 | C42 | 1.2° | 0.0° |
| C53 | C52 | C51 | H52 | 180.0° | 179.7° |
| C53 | C52 | C51 | C42 | 178.8° | 179.7° |
| H53 | C53 | C52 | C51 | 179.9° | 180.0° |
| H53 | C53 | C52 | H52 | 0.1° | 0.3° |
| C52 | C51 | C42 | O43 | 21.0° | 180.0° |
| C52 | C51 | C42 | N41 | 163.8° | 0.0° |
| H52 | C52 | C51 | C42 | 1.3° | 0.0° |
| C51 | C42 | O43 | N41 | 175.1° | 180.0° |
| C51 | C42 | N41 | C37 | 164.0° | 180.0° |
| C51 | C42 | N41 | H41 | 16.0° | 0.0° |
| O43 | C42 | N41 | C37 | 11.4° | 0.0° |
| O43 | C42 | N41 | H41 | 168.6° | 180.0° |
| C42 | N41 | C37 | H41 | 180.0° | 179.9° |
| C42 | N41 | C37 | C36 | 70.7° | 85.3° |
| C42 | N41 | C37 | C31 | 157.9° | 155.3° |
| C42 | N41 | C37 | H37 | 45.4° | 35.0° |
| N41 | C37 | C36 | C31 | 126.9° | 119.9° |
| N41 | C37 | C36 | H37 | 121.7° | 120.3° |
| N41 | C37 | C31 | H37 | 121.0° | 120.2° |
| N41 | C37 | C36 | C35 | 56.0° | 167.5° |
| N41 | C37 | C36 | H361 | 178.8° | 72.3° |
| N41 | C37 | C36 | H362 | 69.3° | 47.4° |
| N41 | C37 | C31 | C32 | 113.0° | 149.0° |
| N41 | C37 | C31 | N23 | 123.8° | 27.6° |
| N41 | C37 | C31 | H31 | 2.6° | 89.8° |
| H41 | N41 | C37 | C36 | 109.3° | 94.7° |
| H41 | N41 | C37 | C31 | 22.1° | 24.8° |
| H41 | N41 | C37 | H37 | 134.7° | 145.0° |
| C36 | C37 | C31 | H37 | 114.2° | 119.9° |
| C37 | C36 | C35 | H361 | 125.3° | 120.1° |
| C37 | C36 | C35 | H362 | 125.2° | 120.1° |
| C37 | C36 | H361 | H362 | 115.3° | 119.8° |
| C37 | C36 | C35 | C34 | 80.0° | 61.2° |
| C37 | C36 | C35 | H351 | 154.7° | 177.7° |
| C37 | C36 | C35 | H352 | 45.3° | 60.0° |
| C36 | C37 | C31 | C32 | 11.8° | 91.1° |
| C36 | C37 | C31 | N23 | 111.4° | 147.5° |
| C36 | C37 | C31 | H31 | 127.4° | 30.1° |
| C31 | C37 | C36 | C35 | 71.0° | 72.6° |
| C31 | C37 | C36 | H361 | 54.3° | 47.6° |
| C31 | C37 | C36 | H362 | 163.8° | 167.3° |
| C37 | C31 | C32 | N33 | 53.7° | 43.1° |
| C37 | C31 | C32 | N23 | 125.2° | 121.4° |
| C37 | C31 | C32 | H31 | 113.1° | 121.1° |
| C37 | C31 | C32 | H321 | 71.6° | 164.4° |
| C37 | C31 | C32 | H322 | 179.0° | 77.9° |
| C37 | C31 | N23 | H31 | 113.9° | 117.3° |
| C37 | C31 | N23 | C21 | 125.0° | 149.9° |
| C37 | C31 | N23 | H23 | 55.1° | 30.1° |
| H37 | C37 | C36 | C35 | 177.7° | 47.3° |
| H37 | C37 | C36 | H361 | 57.1° | 167.4° |
| H37 | C37 | C36 | H362 | 52.4° | 72.9° |
| H37 | C37 | C31 | C32 | 126.0° | 28.8° |
| H37 | C37 | C31 | N23 | 2.8° | 92.6° |
| H37 | C37 | C31 | H31 | 118.5° | 150.0° |
| C35 | C36 | H361 | H362 | 115.3° | 119.9° |
| C36 | C35 | C34 | H351 | 125.3° | 121.1° |
| C36 | C35 | C34 | H352 | 125.2° | 121.1° |
| C36 | C35 | H351 | H352 | 117.6° | 117.9° |
| C36 | C35 | C34 | N33 | 66.9° | 87.8° |
| C36 | C35 | C34 | H341 | 58.4° | 31.5° |
| C36 | C35 | C34 | H342 | 167.8° | 152.8° |
| H361 | C36 | C35 | C34 | 45.3° | 59.0° |
| H361 | C36 | C35 | H351 | 80.0° | 62.2° |
| H361 | C36 | C35 | H352 | 170.5° | 179.9° |
| H362 | C36 | C35 | C34 | 154.8° | 178.8° |
| H362 | C36 | C35 | H351 | 29.5° | 57.6° |
| H362 | C36 | C35 | H352 | 80.0° | 60.1° |
| C34 | C35 | H351 | H352 | 117.6° | 117.8° |
| C35 | C34 | N33 | H341 | 125.2° | 119.3° |
| C35 | C34 | N33 | H342 | 125.3° | 119.3° |
| C35 | C34 | H341 | H342 | 118.0° | 121.2° |
| C35 | C34 | N33 | C32 | 81.9° | 98.2° |
| C35 | C34 | N33 | H33 | 152.8° | 147.1° |
| H351 | C35 | C34 | N33 | 167.8° | 151.1° |
| H351 | C35 | C34 | H341 | 66.9° | 89.6° |
| H351 | C35 | C34 | H342 | 42.6° | 31.7° |
| H352 | C35 | C34 | N33 | 58.4° | 33.3° |
| H352 | C35 | C34 | H341 | 176.4° | 152.7° |
| H352 | C35 | C34 | H342 | 66.9° | 86.0° |
| N33 | C34 | H341 | H342 | 118.0° | 121.3° |
| C34 | N33 | C32 | H33 | 125.3° | 114.7° |
| C34 | N33 | C32 | C31 | 92.9° | 41.7° |
| C34 | N33 | C32 | H321 | 32.4° | 79.6° |
| C34 | N33 | C32 | H322 | 141.8° | 162.7° |
| H341 | C34 | N33 | C32 | 43.3° | 21.1° |
| H341 | C34 | N33 | H33 | 82.0° | 93.6° |
| H342 | C34 | N33 | C32 | 152.8° | 142.5° |
| H342 | C34 | N33 | H33 | 27.5° | 27.8° |
| N33 | C32 | C31 | H321 | 125.3° | 121.3° |
| N33 | C32 | C31 | H322 | 125.3° | 121.1° |
| N33 | C32 | H321 | H322 | 117.6° | 117.8° |
| N33 | C32 | C31 | N23 | 178.9° | 164.5° |
| N33 | C32 | C31 | H31 | 59.4° | 77.9° |
| H33 | N33 | C32 | C31 | 141.8° | 156.4° |
| H33 | N33 | C32 | H321 | 92.9° | 35.1° |
| H33 | N33 | C32 | H322 | 16.6° | 82.6° |
| C31 | C32 | H321 | H322 | 117.6° | 117.6° |
| C32 | C31 | N23 | H31 | 116.8° | 117.6° |
| C32 | C31 | N23 | C21 | 105.8° | 85.0° |
| C32 | C31 | N23 | H23 | 74.2° | 95.0° |
| H321 | C32 | C31 | N23 | 53.6° | 74.2° |
| H321 | C32 | C31 | H31 | 175.3° | 43.4° |
| H322 | C32 | C31 | N23 | 55.8° | 43.5° |
| H322 | C32 | C31 | H31 | 65.9° | 161.0° |
| C31 | N23 | C21 | H23 | 180.0° | 180.0° |
| C31 | N23 | C21 | O22 | 16.3° | 0.0° |
| C31 | N23 | C21 | C14 | 167.4° | 179.9° |
| H31 | C31 | N23 | C21 | 11.0° | 32.7° |
| H31 | C31 | N23 | H23 | 169.0° | 147.4° |
| N23 | C21 | O22 | C14 | 176.4° | 180.0° |
| N23 | C21 | C14 | C13 | 178.8° | 180.0° |
| N23 | C21 | C14 | C15 | 1.4° | 0.2° |
| H23 | N23 | C21 | O22 | 163.8° | 180.0° |
| H23 | N23 | C21 | C14 | 12.6° | 0.0° |
| O22 | C21 | C14 | C13 | 2.6° | 0.1° |
| O22 | C21 | C14 | C15 | 174.9° | 179.7° |
| C21 | C14 | C13 | C15 | 177.6° | 179.8° |
| C21 | C14 | C13 | C12 | 180.0° | 180.0° |
| C21 | C14 | C13 | H13 | 0.0° | 0.0° |
| C21 | C14 | C15 | C16 | 179.3° | 179.7° |
| C21 | C14 | C15 | H15 | 0.7° | 0.2° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 2.9° | 0.0° |
| C14 | C13 | C12 | H12 | 177.1° | 180.0° |
| C13 | C14 | C15 | C16 | 1.8° | 0.5° |
| C13 | C14 | C15 | H15 | 178.2° | 180.0° |
| C15 | C14 | C13 | C12 | 2.4° | 0.2° |
| C15 | C14 | C13 | H13 | 177.6° | 179.8° |
| C14 | C15 | C16 | N11 | 1.7° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 178.3° | 179.8° |
| C13 | C12 | N11 | H12 | 180.0° | 180.0° |
| C13 | C12 | N11 | C16 | 2.8° | 0.0° |
| H13 | C13 | C12 | N11 | 177.1° | 180.0° |
| H13 | C13 | C12 | H12 | 2.9° | 0.0° |
| C12 | N11 | C16 | C15 | 2.1° | 0.3° |
| C12 | N11 | C16 | H16 | 177.9° | 180.0° |
| H12 | C12 | N11 | C16 | 177.2° | 179.9° |
| N11 | C16 | C15 | H16 | 180.0° | 179.7° |
| N11 | C16 | C15 | H15 | 178.3° | 180.0° |
| H16 | C16 | C15 | H15 | 1.7° | 0.3° |
