R68
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O22 | C21 | doub | 1.21Å | 1.25Å | |
| C21 | C14 | sing | 1.48Å | 1.49Å | |
| C21 | N23 | sing | 1.35Å | 1.39Å | |
| C14 | C13 | doub | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C13 | C12 | sing | 1.38Å | 1.40Å | 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 | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| N23 | C31 | sing | 1.46Å | 1.48Å | |
| N23 | H23 | sing | 0.97Å | 1.02Å | |
| C31 | C32 | sing | 1.54Å | 1.53Å | |
| C31 | C37 | sing | 1.51Å | 1.55Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| C32 | N33 | sing | 1.48Å | 1.46Å | |
| C32 | H321 | sing | 1.09Å | 1.12Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| N33 | C34 | sing | 1.44Å | 1.50Å | |
| N33 | H33 | sing | 1.01Å | 1.02Å | |
| C34 | C35 | sing | 1.53Å | 1.52Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| C35 | C36 | sing | 1.46Å | 1.56Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C36 | C37 | sing | 1.56Å | 1.55Å | |
| C36 | H361 | sing | 1.09Å | 1.12Å | |
| C36 | H362 | sing | 1.09Å | 1.12Å | |
| C37 | N41 | sing | 1.47Å | 1.45Å | |
| C37 | H37 | sing | 1.09Å | 1.11Å | |
| N41 | C42 | sing | 1.35Å | 1.38Å | |
| N41 | H41 | sing | 0.97Å | 1.02Å | |
| C42 | O43 | doub | 1.21Å | 1.24Å | |
| C42 | C51 | sing | 1.48Å | 1.46Å | |
| C51 | C52 | doub | 1.40Å | 1.41Å | Aromatic |
| C51 | C56 | sing | 1.40Å | 1.40Å | Aromatic |
| C52 | C53 | sing | 1.38Å | 1.39Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C53 | C54 | doub | 1.40Å | 1.40Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C56 | C55 | doub | 1.38Å | 1.38Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C55 | C54 | sing | 1.40Å | 1.40Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C54 | C61 | sing | 1.48Å | 1.46Å | |
| C61 | O62 | doub | 1.22Å | 1.25Å | |
| C61 | C71 | sing | 1.47Å | 1.46Å | |
| C71 | C72 | doub | 1.40Å | 1.38Å | Aromatic |
| C71 | C76 | sing | 1.40Å | 1.39Å | Aromatic |
| C72 | O82 | sing | 1.36Å | 1.33Å | |
| C72 | C73 | sing | 1.39Å | 1.39Å | Aromatic |
| O82 | H82 | sing | 0.97Å | 0.95Å | |
| C73 | C74 | doub | 1.38Å | 1.40Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C74 | C75 | sing | 1.38Å | 1.41Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C75 | C76 | doub | 1.38Å | 1.39Å | Aromatic |
| C75 | C91 | sing | 1.51Å | 1.52Å | |
| C76 | F89 | sing | 1.35Å | 1.33Å | |
| C91 | C92 | sing | 1.53Å | 1.58Å | |
| C91 | N96 | sing | 1.47Å | 1.49Å | |
| C91 | H91 | sing | 1.09Å | 1.11Å | |
| C92 | C97 | sing | 1.53Å | 1.56Å | |
| C92 | C98 | sing | 1.53Å | 1.52Å | |
| C92 | C93 | sing | 1.53Å | 1.55Å | |
| C97 | H971 | sing | 1.09Å | 1.11Å | |
| C97 | H972 | sing | 1.09Å | 1.12Å | |
| C97 | H973 | sing | 1.09Å | 1.11Å | |
| C98 | H981 | sing | 1.09Å | 1.12Å | |
| C98 | H982 | sing | 1.09Å | 1.12Å | |
| C98 | H983 | sing | 1.09Å | 1.12Å | |
| C93 | C94 | sing | 1.53Å | 1.55Å | |
| C93 | H931 | sing | 1.09Å | 1.11Å | |
| C93 | H932 | sing | 1.09Å | 1.11Å | |
| C94 | C95 | sing | 1.53Å | 1.55Å | |
| C94 | H941 | sing | 1.09Å | 1.12Å | |
| C94 | H942 | sing | 1.09Å | 1.11Å | |
| C95 | N96 | sing | 1.47Å | 1.50Å | |
| C95 | H951 | sing | 1.09Å | 1.11Å | |
| C95 | H952 | sing | 1.09Å | 1.11Å | |
| N96 | H96 | sing | 1.01Å | 1.02Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O22 | C21 | C14 | 122.5° | 120.0° |
| O22 | C21 | N23 | 117.5° | 120.0° |
| C14 | C21 | N23 | 120.1° | 120.0° |
| C21 | C14 | C13 | 119.4° | 120.9° |
| C21 | C14 | C15 | 123.4° | 120.9° |
| C21 | N23 | C31 | 122.9° | 120.0° |
| C21 | N23 | H23 | 115.2° | 120.0° |
| C13 | C14 | C15 | 117.2° | 118.2° |
| C14 | C13 | C12 | 120.1° | 119.0° |
| C14 | C13 | H13 | 120.4° | 120.5° |
| C14 | C15 | C16 | 118.9° | 119.0° |
| C14 | C15 | H15 | 120.6° | 120.5° |
| C12 | C13 | H13 | 119.5° | 120.5° |
| C13 | C12 | N11 | 120.8° | 120.8° |
| C13 | C12 | H12 | 121.9° | 119.6° |
| N11 | C12 | H12 | 117.4° | 119.6° |
| C12 | N11 | C16 | 120.6° | 122.1° |
| N11 | C16 | C15 | 122.3° | 120.9° |
| N11 | C16 | H16 | 115.8° | 119.6° |
| C15 | C16 | H16 | 121.9° | 119.5° |
| C16 | C15 | H15 | 120.5° | 120.5° |
| C31 | N23 | H23 | 121.9° | 120.0° |
| N23 | C31 | C32 | 104.7° | 108.5° |
| N23 | C31 | C37 | 110.5° | 108.5° |
| N23 | C31 | H31 | 115.2° | 108.4° |
| C32 | C31 | C37 | 117.6° | 114.6° |
| C32 | C31 | H31 | 107.7° | 108.5° |
| C31 | C32 | N33 | 111.8° | 114.1° |
| C31 | C32 | H321 | 111.4° | 108.6° |
| C31 | C32 | H322 | 111.3° | 108.5° |
| C37 | C31 | H31 | 101.5° | 108.2° |
| C31 | C37 | C36 | 116.4° | 108.9° |
| C31 | C37 | N41 | 111.1° | 109.6° |
| C31 | C37 | H37 | 103.5° | 109.6° |
| N33 | C32 | H321 | 111.4° | 108.6° |
| N33 | C32 | H322 | 111.4° | 108.6° |
| C32 | N33 | C34 | 113.8° | 108.7° |
| C32 | N33 | H33 | 110.6° | 106.7° |
| H321 | C32 | H322 | 99.0° | 108.4° |
| C34 | N33 | H33 | 110.6° | 106.7° |
| N33 | C34 | C35 | 110.2° | 106.9° |
| N33 | C34 | H341 | 112.0° | 110.0° |
| N33 | C34 | H342 | 112.0° | 110.0° |
| C35 | C34 | H341 | 111.9° | 109.9° |
| C35 | C34 | H342 | 111.9° | 109.9° |
| C34 | C35 | C36 | 113.1° | 113.9° |
| C34 | C35 | H351 | 110.9° | 108.6° |
| C34 | C35 | H352 | 110.9° | 108.5° |
| H341 | C34 | H342 | 98.5° | 110.0° |
| C36 | C35 | H351 | 110.9° | 108.6° |
| C36 | C35 | H352 | 110.9° | 108.7° |
| C35 | C36 | C37 | 112.7° | 109.8° |
| C35 | C36 | H361 | 111.0° | 109.4° |
| C35 | C36 | H362 | 111.0° | 109.4° |
| H351 | C35 | H352 | 99.4° | 108.4° |
| C37 | C36 | H361 | 111.0° | 109.4° |
| C37 | C36 | H362 | 111.0° | 109.4° |
| C36 | C37 | N41 | 110.1° | 109.5° |
| C36 | C37 | H37 | 104.7° | 109.6° |
| H361 | C36 | H362 | 99.3° | 109.4° |
| N41 | C37 | H37 | 110.7° | 109.6° |
| C37 | N41 | C42 | 124.7° | 120.0° |
| C37 | N41 | H41 | 120.3° | 120.0° |
| C42 | N41 | H41 | 115.0° | 120.0° |
| N41 | C42 | O43 | 118.5° | 120.0° |
| N41 | C42 | C51 | 121.1° | 120.0° |
| O43 | C42 | C51 | 119.7° | 120.0° |
| C42 | C51 | C52 | 119.6° | 120.0° |
| C42 | C51 | C56 | 121.4° | 120.0° |
| C52 | C51 | C56 | 118.6° | 120.0° |
| C51 | C52 | C53 | 120.9° | 120.0° |
| C51 | C52 | H52 | 120.4° | 120.0° |
| C51 | C56 | C55 | 120.2° | 120.0° |
| C51 | C56 | H56 | 120.6° | 120.0° |
| C53 | C52 | H52 | 118.7° | 120.0° |
| C52 | C53 | C54 | 119.8° | 120.0° |
| C52 | C53 | H53 | 119.7° | 120.0° |
| C54 | C53 | H53 | 120.5° | 120.0° |
| C53 | C54 | C55 | 119.4° | 120.0° |
| C53 | C54 | C61 | 121.5° | 120.0° |
| C55 | C56 | H56 | 119.2° | 120.0° |
| C56 | C55 | C54 | 120.9° | 120.0° |
| C56 | C55 | H55 | 119.0° | 120.0° |
| C54 | C55 | H55 | 120.1° | 120.0° |
| C55 | C54 | C61 | 118.6° | 120.0° |
| C54 | C61 | O62 | 118.2° | 120.0° |
| C54 | C61 | C71 | 120.9° | 120.0° |
| O62 | C61 | C71 | 120.1° | 120.0° |
| C61 | C71 | C72 | 121.8° | 120.2° |
| C61 | C71 | C76 | 122.0° | 120.2° |
| C72 | C71 | C76 | 116.1° | 119.5° |
| C71 | C72 | O82 | 114.5° | 120.1° |
| C71 | C72 | C73 | 123.1° | 119.7° |
| C71 | C76 | C75 | 124.4° | 119.8° |
| C71 | C76 | F89 | 115.8° | 120.1° |
| O82 | C72 | C73 | 122.4° | 120.2° |
| C72 | O82 | H82 | 114.5° | 106.7° |
| C72 | C73 | C74 | 119.0° | 120.2° |
| C72 | C73 | H73 | 120.2° | 119.9° |
| C74 | C73 | H73 | 120.8° | 119.9° |
| C73 | C74 | C75 | 120.4° | 120.5° |
| C73 | C74 | H74 | 119.4° | 119.8° |
| C75 | C74 | H74 | 120.3° | 119.8° |
| C74 | C75 | C76 | 117.0° | 120.3° |
| C74 | C75 | C91 | 120.8° | 119.8° |
| C76 | C75 | C91 | 122.2° | 119.9° |
| C75 | C76 | F89 | 119.8° | 120.1° |
| C75 | C91 | C92 | 113.6° | 109.4° |
| C75 | C91 | N96 | 110.2° | 109.4° |
| C75 | C91 | H91 | 107.2° | 109.4° |
| C92 | C91 | N96 | 112.6° | 109.7° |
| C92 | C91 | H91 | 104.5° | 109.5° |
| C91 | C92 | C97 | 113.4° | 109.5° |
| C91 | C92 | C98 | 110.3° | 109.5° |
| C91 | C92 | C93 | 109.7° | 109.2° |
| N96 | C91 | H91 | 108.3° | 109.4° |
| C91 | N96 | C95 | 109.9° | 107.4° |
| C91 | N96 | H96 | 112.1° | 106.7° |
| C97 | C92 | C98 | 109.3° | 109.6° |
| C97 | C92 | C93 | 107.0° | 109.5° |
| C92 | C97 | H971 | 110.8° | 109.5° |
| C92 | C97 | H972 | 113.4° | 109.5° |
| C92 | C97 | H973 | 110.7° | 109.5° |
| C98 | C92 | C93 | 106.9° | 109.5° |
| C92 | C98 | H981 | 111.9° | 109.4° |
| C92 | C98 | H982 | 110.3° | 109.5° |
| C92 | C98 | H983 | 111.9° | 109.5° |
| C92 | C93 | C94 | 112.5° | 108.9° |
| C92 | C93 | H931 | 111.1° | 109.6° |
| C92 | C93 | H932 | 111.1° | 109.5° |
| H971 | C97 | H972 | 110.8° | 109.4° |
| H971 | C97 | H973 | 99.6° | 109.4° |
| H972 | C97 | H973 | 110.7° | 109.4° |
| H981 | C98 | H982 | 111.9° | 109.4° |
| H981 | C98 | H983 | 98.5° | 109.5° |
| H982 | C98 | H983 | 111.9° | 109.6° |
| C94 | C93 | H931 | 111.1° | 109.5° |
| C94 | C93 | H932 | 111.1° | 109.6° |
| C93 | C94 | C95 | 111.3° | 109.2° |
| C93 | C94 | H941 | 111.6° | 109.5° |
| C93 | C94 | H942 | 111.6° | 109.5° |
| H931 | C93 | H932 | 99.3° | 109.6° |
| C95 | C94 | H941 | 111.5° | 109.5° |
| C95 | C94 | H942 | 111.5° | 109.5° |
| C94 | C95 | N96 | 111.9° | 109.8° |
| C94 | C95 | H951 | 111.3° | 109.4° |
| C94 | C95 | H952 | 111.3° | 109.4° |
| H941 | C94 | H942 | 98.8° | 109.6° |
| N96 | C95 | H951 | 111.3° | 109.4° |
| N96 | C95 | H952 | 111.3° | 109.5° |
| C95 | N96 | H96 | 112.1° | 106.7° |
| H951 | C95 | H952 | 99.1° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O22 | C21 | C14 | N23 | 179.0° | 180.0° |
| O22 | C21 | C14 | C13 | 8.3° | 0.1° |
| O22 | C21 | C14 | C15 | 174.0° | 179.7° |
| O22 | C21 | N23 | C31 | 4.9° | 0.0° |
| O22 | C21 | N23 | H23 | 175.1° | 180.0° |
| C21 | C14 | C13 | C15 | 177.9° | 179.8° |
| C21 | C14 | C13 | C12 | 179.4° | 180.0° |
| C21 | C14 | C13 | H13 | 0.6° | 0.1° |
| C21 | C14 | C15 | C16 | 175.9° | 179.7° |
| C21 | C14 | C15 | H15 | 4.1° | 0.2° |
| C14 | C21 | N23 | C31 | 174.1° | 179.9° |
| C14 | C21 | N23 | H23 | 5.9° | 0.0° |
| N23 | C21 | C14 | C13 | 170.7° | 180.0° |
| N23 | C21 | C14 | C15 | 7.0° | 0.2° |
| C21 | N23 | C31 | H23 | 180.0° | 179.9° |
| C21 | N23 | C31 | C32 | 114.7° | 85.0° |
| C21 | N23 | C31 | C37 | 117.7° | 149.9° |
| C21 | N23 | C31 | H31 | 3.4° | 32.7° |
| C14 | C13 | C12 | H13 | 180.0° | 179.9° |
| C14 | C13 | C12 | N11 | 4.3° | 0.0° |
| C14 | C13 | C12 | H12 | 175.7° | 180.0° |
| C13 | C14 | C15 | C16 | 1.9° | 0.4° |
| C13 | C14 | C15 | H15 | 178.1° | 180.0° |
| C15 | C14 | C13 | C12 | 1.5° | 0.2° |
| C15 | C14 | C13 | H13 | 178.5° | 179.7° |
| C14 | C15 | C16 | N11 | 2.9° | 0.5° |
| C14 | C15 | C16 | H15 | 180.0° | 179.6° |
| C14 | C15 | C16 | H16 | 177.1° | 179.8° |
| C13 | C12 | N11 | H12 | 180.0° | 180.0° |
| C13 | C12 | N11 | C16 | 3.4° | 0.0° |
| H13 | C13 | C12 | N11 | 175.7° | 180.0° |
| H13 | C13 | C12 | H12 | 4.3° | 0.0° |
| C12 | N11 | C16 | C15 | 0.2° | 0.3° |
| C12 | N11 | C16 | H16 | 179.8° | 180.0° |
| H12 | C12 | N11 | C16 | 176.6° | 180.0° |
| N11 | C16 | C15 | H16 | 180.0° | 179.7° |
| N11 | C16 | C15 | H15 | 177.1° | 179.9° |
| H16 | C16 | C15 | H15 | 2.9° | 0.2° |
| N23 | C31 | C32 | C37 | 123.1° | 121.4° |
| N23 | C31 | C32 | H31 | 123.1° | 117.6° |
| N23 | C31 | C37 | H31 | 122.7° | 117.4° |
| N23 | C31 | C32 | N33 | 175.9° | 164.5° |
| N23 | C31 | C32 | H321 | 50.6° | 74.2° |
| N23 | C31 | C32 | H322 | 58.9° | 43.4° |
| N23 | C31 | C37 | C36 | 111.0° | 147.4° |
| N23 | C31 | C37 | N41 | 122.0° | 27.6° |
| N23 | C31 | C37 | H37 | 3.2° | 92.7° |
| H23 | N23 | C31 | C32 | 65.3° | 95.0° |
| H23 | N23 | C31 | C37 | 62.3° | 30.1° |
| H23 | N23 | C31 | H31 | 176.6° | 147.4° |
| C32 | C31 | C37 | H31 | 117.2° | 121.2° |
| C31 | C32 | N33 | H321 | 125.3° | 121.3° |
| C31 | C32 | N33 | H322 | 125.2° | 121.1° |
| C31 | C32 | H321 | H322 | 117.2° | 117.6° |
| C31 | C32 | N33 | C34 | 93.5° | 41.6° |
| C31 | C32 | N33 | H33 | 31.8° | 156.3° |
| C32 | C31 | C37 | C36 | 9.0° | 91.1° |
| C32 | C31 | C37 | N41 | 118.0° | 149.0° |
| C32 | C31 | C37 | H37 | 123.2° | 28.7° |
| C37 | C31 | C32 | N33 | 61.1° | 43.2° |
| C37 | C31 | C32 | H321 | 173.6° | 164.4° |
| C37 | C31 | C32 | H322 | 64.2° | 78.0° |
| C31 | C37 | C36 | C35 | 70.7° | 72.6° |
| C31 | C37 | C36 | N41 | 127.6° | 119.9° |
| C31 | C37 | C36 | H37 | 113.5° | 119.9° |
| C31 | C37 | C36 | H361 | 164.1° | 47.5° |
| C31 | C37 | C36 | H362 | 54.6° | 167.4° |
| C31 | C37 | N41 | H37 | 114.4° | 120.3° |
| C31 | C37 | N41 | C42 | 158.0° | 155.2° |
| C31 | C37 | N41 | H41 | 22.0° | 24.7° |
| H31 | C31 | C32 | N33 | 52.8° | 77.9° |
| H31 | C31 | C32 | H321 | 72.5° | 43.4° |
| H31 | C31 | C32 | H322 | 178.0° | 161.0° |
| H31 | C31 | C37 | C36 | 126.3° | 30.0° |
| H31 | C31 | C37 | N41 | 0.8° | 89.8° |
| H31 | C31 | C37 | H37 | 119.6° | 149.9° |
| N33 | C32 | H321 | H322 | 117.3° | 117.8° |
| C32 | N33 | C34 | H33 | 125.3° | 114.7° |
| C32 | N33 | C34 | C35 | 75.9° | 98.1° |
| C32 | N33 | C34 | H341 | 158.9° | 21.2° |
| C32 | N33 | C34 | H342 | 49.4° | 142.5° |
| H321 | C32 | N33 | C34 | 141.2° | 79.6° |
| H321 | C32 | N33 | H33 | 93.5° | 35.1° |
| H322 | C32 | N33 | C34 | 31.7° | 162.7° |
| H322 | C32 | N33 | H33 | 157.0° | 82.6° |
| N33 | C34 | C35 | H341 | 125.3° | 119.4° |
| N33 | C34 | C35 | H342 | 125.3° | 119.4° |
| N33 | C34 | H341 | H342 | 117.9° | 121.3° |
| N33 | C34 | C35 | C36 | 66.9° | 87.8° |
| N33 | C34 | C35 | H351 | 58.3° | 151.0° |
| N33 | C34 | C35 | H352 | 167.8° | 33.4° |
| H33 | N33 | C34 | C35 | 49.4° | 147.1° |
| H33 | N33 | C34 | H341 | 75.9° | 93.5° |
| H33 | N33 | C34 | H342 | 174.6° | 27.8° |
| C35 | C34 | H341 | H342 | 117.8° | 121.2° |
| C34 | C35 | C36 | H351 | 125.2° | 121.2° |
| C34 | C35 | C36 | H352 | 125.3° | 121.1° |
| C34 | C35 | H351 | H352 | 116.8° | 117.7° |
| C34 | C35 | C36 | C37 | 84.0° | 61.1° |
| C34 | C35 | C36 | H361 | 150.7° | 59.0° |
| C34 | C35 | C36 | H362 | 41.3° | 178.8° |
| H341 | C34 | C35 | C36 | 167.8° | 31.6° |
| H341 | C34 | C35 | H351 | 66.9° | 89.6° |
| H341 | C34 | C35 | H352 | 42.5° | 152.7° |
| H342 | C34 | C35 | C36 | 58.3° | 152.8° |
| H342 | C34 | C35 | H351 | 176.4° | 31.6° |
| H342 | C34 | C35 | H352 | 66.9° | 86.0° |
| C36 | C35 | H351 | H352 | 116.7° | 117.9° |
| C35 | C36 | C37 | H361 | 125.3° | 120.1° |
| C35 | C36 | C37 | H362 | 125.3° | 120.1° |
| C35 | C36 | H361 | H362 | 116.9° | 119.8° |
| C35 | C36 | C37 | N41 | 56.9° | 167.5° |
| C35 | C36 | C37 | H37 | 175.8° | 47.3° |
| H351 | C35 | C36 | C37 | 41.2° | 177.7° |
| H351 | C35 | C36 | H361 | 84.0° | 62.2° |
| H351 | C35 | C36 | H362 | 166.5° | 57.6° |
| H352 | C35 | C36 | C37 | 150.7° | 60.0° |
| H352 | C35 | C36 | H361 | 25.5° | 179.9° |
| H352 | C35 | C36 | H362 | 84.0° | 60.1° |
| C37 | C36 | H361 | H362 | 116.9° | 119.9° |
| C36 | C37 | N41 | H37 | 115.2° | 120.3° |
| C36 | C37 | N41 | C42 | 71.6° | 85.3° |
| C36 | C37 | N41 | H41 | 108.4° | 94.8° |
| H361 | C36 | C37 | N41 | 68.4° | 72.4° |
| H361 | C36 | C37 | H37 | 50.6° | 167.3° |
| H362 | C36 | C37 | N41 | 177.9° | 47.5° |
| H362 | C36 | C37 | H37 | 58.9° | 72.8° |
| C37 | N41 | C42 | H41 | 180.0° | 179.9° |
| C37 | N41 | C42 | O43 | 7.8° | 0.1° |
| C37 | N41 | C42 | C51 | 162.1° | 180.0° |
| H37 | C37 | N41 | C42 | 43.6° | 34.9° |
| H37 | C37 | N41 | H41 | 136.4° | 144.9° |
| N41 | C42 | O43 | C51 | 170.0° | 179.9° |
| N41 | C42 | C51 | C52 | 169.8° | 179.9° |
| N41 | C42 | C51 | C56 | 17.7° | 0.0° |
| H41 | N41 | C42 | O43 | 172.2° | 179.9° |
| H41 | N41 | C42 | C51 | 17.9° | 0.1° |
| O43 | C42 | C51 | C52 | 20.5° | 0.0° |
| O43 | C42 | C51 | C56 | 152.0° | 180.0° |
| C42 | C51 | C52 | C56 | 172.7° | 180.0° |
| C42 | C51 | C52 | C53 | 175.1° | 180.0° |
| C42 | C51 | C52 | H52 | 4.9° | 0.0° |
| C42 | C51 | C56 | C55 | 173.8° | 179.7° |
| C42 | C51 | C56 | H56 | 6.1° | 0.0° |
| C51 | C52 | C53 | H52 | 180.0° | 180.0° |
| C51 | C52 | C53 | C54 | 0.4° | 0.0° |
| C51 | C52 | C53 | H53 | 179.6° | 180.0° |
| C52 | C51 | C56 | C55 | 1.2° | 0.3° |
| C52 | C51 | C56 | H56 | 178.7° | 180.0° |
| C56 | C51 | C52 | C53 | 2.4° | 0.0° |
| C56 | C51 | C52 | H52 | 177.6° | 180.0° |
| C51 | C56 | C55 | H56 | 180.0° | 179.7° |
| C51 | C56 | C55 | C54 | 1.9° | 0.6° |
| C51 | C56 | C55 | H55 | 178.1° | 179.9° |
| C52 | C53 | C54 | H53 | 180.0° | 180.0° |
| C52 | C53 | C54 | C55 | 2.8° | 0.2° |
| C52 | C53 | C54 | C61 | 174.6° | 180.0° |
| H52 | C52 | C53 | C54 | 179.6° | 180.0° |
| H52 | C52 | C53 | H53 | 0.4° | 0.0° |
| C53 | C54 | C55 | C56 | 4.0° | 0.5° |
| C53 | C54 | C55 | C61 | 172.1° | 179.8° |
| C53 | C54 | C55 | H55 | 176.0° | 180.0° |
| C53 | C54 | C61 | O62 | 15.3° | 5.2° |
| C53 | C54 | C61 | C71 | 175.4° | 174.8° |
| H53 | C53 | C54 | C55 | 177.2° | 179.8° |
| H53 | C53 | C54 | C61 | 5.4° | 0.0° |
| C56 | C55 | C54 | H55 | 180.0° | 179.5° |
| C56 | C55 | C54 | C61 | 176.1° | 179.7° |
| H56 | C56 | C55 | C54 | 178.1° | 179.7° |
| H56 | C56 | C55 | H55 | 1.9° | 0.2° |
| C55 | C54 | C61 | O62 | 156.6° | 175.0° |
| C55 | C54 | C61 | C71 | 12.7° | 5.0° |
| H55 | C55 | C54 | C61 | 3.9° | 0.2° |
| C54 | C61 | O62 | C71 | 169.4° | 180.0° |
| C54 | C61 | C71 | C72 | 74.2° | 91.6° |
| C54 | C61 | C71 | C76 | 103.7° | 88.5° |
| O62 | C61 | C71 | C72 | 116.7° | 88.4° |
| O62 | C61 | C71 | C76 | 65.3° | 91.5° |
| C61 | C71 | C72 | C76 | 178.0° | 179.9° |
| C61 | C71 | C72 | O82 | 1.7° | 0.1° |
| C61 | C71 | C72 | C73 | 179.7° | 179.9° |
| C61 | C71 | C76 | C75 | 178.7° | 179.7° |
| C61 | C71 | C76 | F89 | 1.1° | 0.1° |
| C71 | C72 | O82 | C73 | 178.5° | 180.0° |
| C71 | C72 | O82 | H82 | 180.0° | 94.9° |
| C71 | C72 | C73 | C74 | 0.8° | 0.0° |
| C71 | C72 | C73 | H73 | 179.1° | 179.9° |
| C72 | C71 | C76 | C75 | 0.7° | 0.5° |
| C72 | C71 | C76 | F89 | 179.1° | 180.0° |
| C76 | C71 | C72 | O82 | 179.8° | 179.8° |
| C76 | C71 | C72 | C73 | 1.7° | 0.2° |
| C71 | C76 | C75 | C74 | 1.2° | 0.5° |
| C71 | C76 | C75 | F89 | 179.8° | 179.5° |
| C71 | C76 | C75 | C91 | 178.2° | 179.8° |
| O82 | C72 | C73 | C74 | 179.2° | 180.0° |
| O82 | C72 | C73 | H73 | 0.7° | 0.1° |
| C73 | C72 | O82 | H82 | 1.5° | 85.1° |
| C72 | C73 | C74 | H73 | 180.0° | 179.9° |
| C72 | C73 | C74 | C75 | 1.1° | 0.1° |
| C72 | C73 | C74 | H74 | 178.9° | 180.0° |
| C73 | C74 | C75 | H74 | 180.0° | 179.9° |
| C73 | C74 | C75 | C76 | 2.0° | 0.3° |
| C73 | C74 | C75 | C91 | 179.1° | 180.0° |
| H73 | C73 | C74 | C75 | 178.9° | 180.0° |
| H73 | C73 | C74 | H74 | 1.1° | 0.2° |
| C74 | C75 | C76 | C91 | 177.0° | 179.7° |
| C74 | C75 | C76 | F89 | 179.1° | 180.0° |
| C74 | C75 | C91 | C92 | 92.5° | 95.2° |
| C74 | C75 | C91 | N96 | 140.1° | 25.1° |
| C74 | C75 | C91 | H91 | 22.4° | 144.8° |
| H74 | C74 | C75 | C76 | 178.0° | 179.8° |
| H74 | C74 | C75 | C91 | 0.9° | 0.1° |
| C76 | C75 | C91 | C92 | 84.5° | 84.5° |
| C76 | C75 | C91 | N96 | 43.0° | 155.2° |
| C76 | C75 | C91 | H91 | 160.7° | 35.5° |
| C91 | C75 | C76 | F89 | 2.0° | 0.3° |
| C75 | C91 | C92 | N96 | 126.2° | 120.1° |
| C75 | C91 | C92 | H91 | 116.5° | 119.9° |
| C75 | C91 | N96 | H91 | 117.0° | 119.8° |
| C75 | C91 | C92 | C97 | 61.9° | 61.5° |
| C75 | C91 | C92 | C98 | 61.1° | 58.6° |
| C75 | C91 | C92 | C93 | 178.6° | 178.5° |
| C75 | C91 | N96 | C95 | 172.0° | 174.3° |
| C75 | C91 | N96 | H96 | 46.7° | 60.2° |
| C92 | C91 | N96 | H91 | 115.0° | 120.1° |
| C91 | C92 | C97 | C98 | 123.6° | 120.1° |
| C91 | C92 | C97 | C93 | 121.1° | 119.8° |
| C91 | C92 | C98 | C93 | 119.2° | 119.7° |
| C91 | C92 | C97 | H971 | 54.7° | 60.1° |
| C91 | C92 | C97 | H972 | 180.0° | 59.9° |
| C91 | C92 | C97 | H973 | 54.7° | 179.9° |
| C91 | C92 | C98 | H981 | 54.7° | 179.9° |
| C91 | C92 | C98 | H982 | 180.0° | 59.9° |
| C91 | C92 | C98 | H983 | 54.7° | 60.2° |
| C91 | C92 | C93 | C94 | 49.9° | 55.6° |
| C91 | C92 | C93 | H931 | 175.1° | 64.2° |
| C91 | C92 | C93 | H932 | 75.4° | 175.5° |
| C92 | C91 | N96 | C95 | 60.0° | 65.6° |
| C92 | C91 | N96 | H96 | 174.7° | 179.7° |
| N96 | C91 | C92 | C97 | 64.3° | 58.6° |
| N96 | C91 | C92 | C98 | 172.7° | 178.7° |
| N96 | C91 | C92 | C93 | 55.2° | 61.4° |
| C91 | N96 | C95 | C94 | 59.5° | 65.6° |
| C91 | N96 | C95 | H96 | 125.3° | 114.1° |
| C91 | N96 | C95 | H951 | 175.3° | 54.5° |
| C91 | N96 | C95 | H952 | 65.8° | 174.3° |
| H91 | C91 | C92 | C97 | 178.4° | 178.6° |
| H91 | C91 | C92 | C98 | 55.4° | 61.2° |
| H91 | C91 | C92 | C93 | 62.1° | 58.7° |
| H91 | C91 | N96 | C95 | 55.0° | 54.5° |
| H91 | C91 | N96 | H96 | 70.3° | 59.6° |
| C97 | C92 | C98 | C93 | 115.4° | 120.1° |
| C92 | C97 | H971 | H972 | 126.8° | 120.1° |
| C92 | C97 | H971 | H973 | 116.6° | 120.0° |
| C92 | C97 | H972 | H973 | 125.2° | 120.0° |
| C97 | C92 | C98 | H981 | 70.6° | 60.0° |
| C97 | C92 | C98 | H982 | 54.6° | 179.9° |
| C97 | C92 | C98 | H983 | 179.9° | 59.9° |
| C97 | C92 | C93 | C94 | 73.6° | 64.3° |
| C97 | C92 | C93 | H931 | 51.7° | 175.9° |
| C97 | C92 | C93 | H932 | 161.2° | 55.5° |
| C98 | C92 | C97 | H971 | 178.3° | 60.0° |
| C98 | C92 | C97 | H972 | 56.4° | 180.0° |
| C98 | C92 | C97 | H973 | 68.8° | 60.0° |
| C92 | C98 | H981 | H982 | 124.4° | 120.0° |
| C92 | C98 | H981 | H983 | 117.8° | 120.0° |
| C92 | C98 | H982 | H983 | 125.3° | 120.1° |
| C98 | C92 | C93 | C94 | 169.5° | 175.5° |
| C98 | C92 | C93 | H931 | 65.2° | 55.7° |
| C98 | C92 | C93 | H932 | 44.3° | 64.6° |
| C93 | C92 | C97 | H971 | 66.3° | 179.9° |
| C93 | C92 | C97 | H972 | 58.9° | 59.9° |
| C93 | C92 | C97 | H973 | 175.8° | 60.1° |
| C93 | C92 | C98 | H981 | 173.9° | 60.1° |
| C93 | C92 | C98 | H982 | 60.8° | 59.8° |
| C93 | C92 | C98 | H983 | 64.5° | 179.9° |
| C92 | C93 | C94 | H931 | 125.3° | 119.9° |
| C92 | C93 | C94 | H932 | 125.2° | 119.8° |
| C92 | C93 | H931 | H932 | 117.0° | 120.3° |
| C92 | C93 | C94 | C95 | 50.6° | 55.6° |
| C92 | C93 | C94 | H941 | 74.7° | 175.5° |
| C92 | C93 | C94 | H942 | 175.8° | 64.3° |
| H971 | C97 | H972 | H973 | 109.5° | 119.9° |
| H981 | C98 | H982 | H983 | 109.5° | 120.0° |
| C94 | C93 | H931 | H932 | 117.0° | 120.3° |
| C93 | C94 | C95 | H941 | 125.3° | 119.9° |
| C93 | C94 | C95 | H942 | 125.3° | 119.9° |
| C93 | C94 | H941 | H942 | 117.5° | 120.1° |
| C93 | C94 | C95 | N96 | 55.0° | 61.3° |
| C93 | C94 | C95 | H951 | 179.8° | 58.7° |
| C93 | C94 | C95 | H952 | 70.3° | 178.5° |
| H931 | C93 | C94 | C95 | 175.8° | 64.3° |
| H931 | C93 | C94 | H941 | 50.6° | 55.7° |
| H931 | C93 | C94 | H942 | 58.9° | 175.8° |
| H932 | C93 | C94 | C95 | 74.7° | 175.4° |
| H932 | C93 | C94 | H941 | 160.1° | 64.6° |
| H932 | C93 | C94 | H942 | 50.6° | 55.5° |
| C95 | C94 | H941 | H942 | 117.4° | 120.2° |
| C94 | C95 | N96 | H951 | 125.2° | 120.1° |
| C94 | C95 | N96 | H952 | 125.2° | 120.1° |
| C94 | C95 | H951 | H952 | 117.2° | 119.8° |
| C94 | C95 | N96 | H96 | 175.3° | 179.7° |
| H941 | C94 | C95 | N96 | 70.3° | 178.7° |
| H941 | C94 | C95 | H951 | 54.9° | 61.2° |
| H941 | C94 | C95 | H952 | 164.4° | 58.6° |
| H942 | C94 | C95 | N96 | 179.8° | 58.5° |
| H942 | C94 | C95 | H951 | 54.5° | 178.6° |
| H942 | C94 | C95 | H952 | 55.0° | 61.6° |
| N96 | C95 | H951 | H952 | 117.2° | 119.9° |
| H951 | C95 | N96 | H96 | 50.0° | 59.7° |
| H952 | C95 | N96 | H96 | 59.5° | 60.2° |
