I04
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F96 | C76 | sing | 1.35Å | 1.35Å | |
| C76 | C75 | doub | 1.39Å | 1.39Å | Aromatic |
| C76 | C71 | sing | 1.40Å | 1.39Å | Aromatic |
| C75 | O95 | sing | 1.36Å | 1.38Å | |
| C75 | C74 | sing | 1.39Å | 1.43Å | Aromatic |
| O95 | C98 | sing | 1.43Å | 1.43Å | |
| C98 | H981 | sing | 1.09Å | 1.12Å | |
| C98 | H982 | sing | 1.09Å | 1.12Å | |
| C98 | H983 | sing | 1.09Å | 1.11Å | |
| C74 | C73 | doub | 1.38Å | 1.37Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C73 | C72 | sing | 1.39Å | 1.43Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C72 | O92 | sing | 1.36Å | 1.29Å | |
| C72 | C71 | doub | 1.40Å | 1.43Å | Aromatic |
| O92 | H92 | sing | 0.97Å | 0.95Å | |
| C71 | C61 | sing | 1.47Å | 1.44Å | |
| C61 | O62 | doub | 1.22Å | 1.24Å | |
| C61 | C54 | sing | 1.48Å | 1.47Å | |
| C54 | C55 | sing | 1.40Å | 1.41Å | Aromatic |
| C54 | C53 | doub | 1.40Å | 1.40Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.38Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C56 | C51 | sing | 1.40Å | 1.40Å | Aromatic |
| C56 | H56 | sing | 1.08Å | 1.10Å | |
| C53 | C52 | sing | 1.38Å | 1.37Å | Aromatic |
| C53 | H53 | sing | 1.08Å | 1.10Å | |
| C52 | C51 | doub | 1.40Å | 1.40Å | Aromatic |
| C52 | H52 | sing | 1.08Å | 1.10Å | |
| C51 | C42 | sing | 1.48Å | 1.45Å | |
| C42 | O43 | doub | 1.21Å | 1.22Å | |
| C42 | N41 | sing | 1.35Å | 1.36Å | |
| N41 | C37 | sing | 1.47Å | 1.43Å | |
| N41 | H41 | sing | 0.97Å | 1.02Å | |
| C37 | C36 | sing | 1.56Å | 1.55Å | |
| C37 | C31 | sing | 1.51Å | 1.55Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| C36 | C35 | sing | 1.46Å | 1.54Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C35 | C34 | sing | 1.53Å | 1.53Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.12Å | |
| C34 | N33 | sing | 1.44Å | 1.49Å | |
| C34 | H341 | sing | 1.09Å | 1.11Å | |
| C34 | H342 | sing | 1.09Å | 1.12Å | |
| N33 | C32 | sing | 1.48Å | 1.45Å | |
| N33 | H33 | sing | 1.01Å | 1.02Å | |
| C32 | C31 | sing | 1.54Å | 1.55Å | |
| C32 | H321 | sing | 1.09Å | 1.11Å | |
| C32 | H322 | sing | 1.09Å | 1.12Å | |
| C31 | N23 | sing | 1.46Å | 1.44Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| N23 | C21 | sing | 1.35Å | 1.38Å | |
| N23 | H23 | sing | 0.97Å | 1.02Å | |
| C21 | O22 | doub | 1.22Å | 1.25Å | |
| C21 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | C13 | sing | 1.40Å | 1.41Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.41Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C13 | H13 | sing | 1.08Å | 1.10Å | |
| C12 | N11 | sing | 1.32Å | 1.39Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.10Å | |
| N11 | C16 | doub | 1.32Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 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) |
| F96 | C76 | C75 | 119.6° | 120.1° |
| F96 | C76 | C71 | 118.0° | 120.1° |
| C75 | C76 | C71 | 122.5° | 119.8° |
| C76 | C75 | O95 | 117.2° | 119.9° |
| C76 | C75 | C74 | 119.1° | 120.2° |
| C76 | C71 | C72 | 118.9° | 119.6° |
| C76 | C71 | C61 | 117.4° | 120.2° |
| O95 | C75 | C74 | 123.7° | 119.9° |
| C75 | O95 | C98 | 116.7° | 106.8° |
| C75 | C74 | C73 | 119.9° | 120.4° |
| C75 | C74 | H74 | 122.0° | 119.8° |
| O95 | C98 | H981 | 109.6° | 109.5° |
| O95 | C98 | H982 | 116.7° | 109.5° |
| O95 | C98 | H983 | 109.6° | 109.5° |
| H981 | C98 | H982 | 109.6° | 109.5° |
| H981 | C98 | H983 | 100.6° | 109.5° |
| H982 | C98 | H983 | 109.6° | 109.5° |
| C73 | C74 | H74 | 118.1° | 119.8° |
| C74 | C73 | C72 | 121.3° | 120.2° |
| C74 | C73 | H73 | 117.1° | 119.9° |
| C72 | C73 | H73 | 121.6° | 119.9° |
| C73 | C72 | O92 | 120.5° | 120.1° |
| C73 | C72 | C71 | 118.3° | 119.8° |
| O92 | C72 | C71 | 121.2° | 120.1° |
| C72 | O92 | H92 | 120.5° | 106.8° |
| C72 | C71 | C61 | 123.7° | 120.2° |
| C71 | C61 | O62 | 114.6° | 120.0° |
| C71 | C61 | C54 | 127.6° | 120.0° |
| O62 | C61 | C54 | 117.7° | 120.0° |
| C61 | C54 | C55 | 121.1° | 120.0° |
| C61 | C54 | C53 | 119.2° | 120.0° |
| C55 | C54 | C53 | 119.7° | 120.0° |
| C54 | C55 | C56 | 121.2° | 120.0° |
| C54 | C55 | H55 | 120.4° | 120.0° |
| C54 | C53 | C52 | 119.1° | 120.0° |
| C54 | C53 | H53 | 121.7° | 120.1° |
| C56 | C55 | H55 | 118.3° | 120.0° |
| C55 | C56 | C51 | 118.0° | 120.0° |
| C55 | C56 | H56 | 120.4° | 120.0° |
| C51 | C56 | H56 | 121.6° | 120.0° |
| C56 | C51 | C52 | 120.9° | 120.0° |
| C56 | C51 | C42 | 121.0° | 120.0° |
| C52 | C53 | H53 | 119.2° | 120.0° |
| C53 | C52 | C51 | 121.0° | 120.0° |
| C53 | C52 | H52 | 118.4° | 120.0° |
| C51 | C52 | H52 | 120.6° | 120.1° |
| C52 | C51 | C42 | 118.1° | 120.0° |
| C51 | C42 | O43 | 118.7° | 120.0° |
| C51 | C42 | N41 | 119.5° | 120.0° |
| O43 | C42 | N41 | 121.8° | 120.0° |
| C42 | N41 | C37 | 123.8° | 120.0° |
| C42 | N41 | H41 | 115.5° | 120.0° |
| C37 | N41 | H41 | 120.7° | 120.0° |
| N41 | C37 | C36 | 110.1° | 109.5° |
| N41 | C37 | C31 | 108.6° | 109.6° |
| N41 | C37 | H37 | 111.2° | 109.6° |
| C36 | C37 | C31 | 113.7° | 108.9° |
| C36 | C37 | H37 | 105.8° | 109.6° |
| C37 | C36 | C35 | 114.3° | 109.7° |
| C37 | C36 | H361 | 110.5° | 109.4° |
| C37 | C36 | H362 | 110.5° | 109.4° |
| C31 | C37 | H37 | 107.4° | 109.6° |
| C37 | C31 | C32 | 119.1° | 114.6° |
| C37 | C31 | N23 | 112.6° | 108.5° |
| C37 | C31 | H31 | 98.4° | 108.2° |
| C35 | C36 | H361 | 110.4° | 109.5° |
| C35 | C36 | H362 | 110.4° | 109.5° |
| C36 | C35 | C34 | 113.5° | 113.9° |
| C36 | C35 | H351 | 110.7° | 108.5° |
| C36 | C35 | H352 | 110.7° | 108.6° |
| H361 | C36 | H362 | 99.8° | 109.4° |
| C34 | C35 | H351 | 110.7° | 108.6° |
| C34 | C35 | H352 | 110.8° | 108.6° |
| C35 | C34 | N33 | 112.6° | 106.9° |
| C35 | C34 | H341 | 111.1° | 110.0° |
| C35 | C34 | H342 | 111.0° | 109.9° |
| H351 | C35 | H352 | 99.5° | 108.4° |
| N33 | C34 | H341 | 111.1° | 110.0° |
| N33 | C34 | H342 | 111.1° | 110.0° |
| C34 | N33 | C32 | 111.1° | 108.7° |
| C34 | N33 | H33 | 111.6° | 106.7° |
| H341 | C34 | H342 | 99.2° | 110.0° |
| C32 | N33 | H33 | 111.6° | 106.7° |
| N33 | C32 | C31 | 111.5° | 114.1° |
| N33 | C32 | H321 | 111.5° | 108.6° |
| N33 | C32 | H322 | 111.5° | 108.5° |
| C31 | C32 | H321 | 111.5° | 108.7° |
| C31 | C32 | H322 | 111.5° | 108.5° |
| C32 | C31 | N23 | 103.9° | 108.5° |
| C32 | C31 | H31 | 108.1° | 108.5° |
| H321 | C32 | H322 | 98.9° | 108.4° |
| N23 | C31 | H31 | 115.1° | 108.4° |
| C31 | N23 | C21 | 121.2° | 120.0° |
| C31 | N23 | H23 | 121.6° | 120.0° |
| C21 | N23 | H23 | 117.3° | 120.0° |
| N23 | C21 | O22 | 119.6° | 120.0° |
| N23 | C21 | C14 | 118.8° | 120.0° |
| O22 | C21 | C14 | 121.6° | 120.0° |
| C21 | C14 | C13 | 116.7° | 121.0° |
| C21 | C14 | C15 | 124.7° | 120.9° |
| C13 | C14 | C15 | 118.5° | 118.1° |
| C14 | C13 | C12 | 120.6° | 119.0° |
| C14 | C13 | H13 | 121.2° | 120.5° |
| C14 | C15 | C16 | 120.7° | 119.0° |
| C14 | C15 | H15 | 120.1° | 120.5° |
| C12 | C13 | H13 | 118.2° | 120.5° |
| C13 | C12 | N11 | 120.4° | 120.9° |
| C13 | C12 | H12 | 119.0° | 119.5° |
| N11 | C12 | H12 | 120.6° | 119.6° |
| C12 | N11 | C16 | 120.6° | 122.1° |
| N11 | C16 | C15 | 119.1° | 120.9° |
| N11 | C16 | H16 | 120.3° | 119.6° |
| C15 | C16 | H16 | 120.6° | 119.6° |
| C16 | C15 | H15 | 119.2° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F96 | C76 | C75 | C71 | 179.8° | 179.4° |
| F96 | C76 | C75 | O95 | 1.3° | 0.3° |
| F96 | C76 | C75 | C74 | 178.6° | 179.9° |
| F96 | C76 | C71 | C72 | 179.4° | 179.9° |
| F96 | C76 | C71 | C61 | 1.1° | 0.2° |
| C76 | C75 | O95 | C74 | 179.9° | 179.8° |
| C76 | C75 | O95 | C98 | 166.8° | 179.7° |
| C76 | C75 | C74 | C73 | 1.4° | 0.2° |
| C76 | C75 | C74 | H74 | 178.7° | 179.8° |
| C75 | C76 | C71 | C72 | 0.8° | 0.5° |
| C75 | C76 | C71 | C61 | 179.1° | 179.7° |
| C71 | C76 | C75 | O95 | 178.5° | 179.7° |
| C71 | C76 | C75 | C74 | 1.6° | 0.5° |
| C76 | C71 | C72 | C73 | 0.3° | 0.2° |
| C76 | C71 | C72 | O92 | 179.6° | 179.7° |
| C76 | C71 | C72 | C61 | 178.2° | 179.8° |
| C76 | C71 | C61 | O62 | 58.0° | 91.4° |
| C76 | C71 | C61 | C54 | 119.1° | 88.6° |
| C75 | O95 | C98 | H981 | 54.7° | 60.0° |
| C75 | O95 | C98 | H982 | 180.0° | 180.0° |
| C75 | O95 | C98 | H983 | 54.8° | 60.0° |
| O95 | C75 | C74 | C73 | 178.8° | 180.0° |
| O95 | C75 | C74 | H74 | 1.2° | 0.0° |
| C74 | C75 | O95 | C98 | 13.1° | 0.1° |
| C75 | C74 | C73 | H74 | 180.0° | 180.0° |
| C75 | C74 | C73 | C72 | 0.3° | 0.1° |
| C75 | C74 | C73 | H73 | 179.7° | 179.9° |
| O95 | C98 | H981 | H982 | 129.3° | 120.0° |
| O95 | C98 | H981 | H983 | 115.4° | 120.0° |
| O95 | C98 | H982 | H983 | 125.2° | 120.0° |
| H981 | C98 | H982 | H983 | 109.5° | 120.0° |
| C74 | C73 | C72 | H73 | 180.0° | 180.0° |
| C74 | C73 | C72 | O92 | 179.8° | 180.0° |
| C74 | C73 | C72 | C71 | 0.6° | 0.1° |
| H74 | C74 | C73 | C72 | 179.7° | 179.9° |
| H74 | C74 | C73 | H73 | 0.3° | 0.1° |
| C73 | C72 | O92 | C71 | 179.2° | 179.9° |
| C73 | C72 | O92 | H92 | 180.0° | 85.0° |
| C73 | C72 | C71 | C61 | 177.9° | 180.0° |
| H73 | C73 | C72 | O92 | 0.2° | 0.0° |
| H73 | C73 | C72 | C71 | 179.5° | 179.9° |
| O92 | C72 | C71 | C61 | 1.4° | 0.1° |
| C71 | C72 | O92 | H92 | 0.8° | 94.9° |
| C72 | C71 | C61 | O62 | 120.2° | 88.4° |
| C72 | C71 | C61 | C54 | 62.7° | 91.6° |
| C71 | C61 | O62 | C54 | 177.4° | 180.0° |
| C71 | C61 | C54 | C55 | 29.1° | 174.8° |
| C71 | C61 | C54 | C53 | 152.3° | 4.9° |
| O62 | C61 | C54 | C55 | 147.9° | 5.2° |
| O62 | C61 | C54 | C53 | 30.7° | 175.1° |
| C61 | C54 | C55 | C53 | 178.6° | 179.7° |
| C61 | C54 | C55 | C56 | 177.6° | 180.0° |
| C61 | C54 | C55 | H55 | 2.4° | 0.0° |
| C61 | C54 | C53 | C52 | 177.9° | 179.7° |
| C61 | C54 | C53 | H53 | 2.1° | 0.3° |
| C54 | C55 | C56 | H55 | 180.0° | 180.0° |
| C54 | C55 | C56 | C51 | 0.4° | 0.0° |
| C54 | C55 | C56 | H56 | 179.6° | 180.0° |
| C55 | C54 | C53 | C52 | 0.7° | 0.6° |
| C55 | C54 | C53 | H53 | 179.3° | 180.0° |
| C53 | C54 | C55 | C56 | 1.0° | 0.3° |
| C53 | C54 | C55 | H55 | 179.0° | 179.7° |
| C54 | C53 | C52 | H53 | 180.0° | 179.4° |
| C54 | C53 | C52 | C51 | 0.1° | 0.6° |
| C54 | C53 | C52 | H52 | 179.9° | 179.6° |
| C55 | C56 | C51 | H56 | 180.0° | 180.0° |
| C55 | C56 | C51 | C52 | 0.5° | 0.0° |
| C55 | C56 | C51 | C42 | 179.1° | 180.0° |
| H55 | C55 | C56 | C51 | 179.6° | 180.0° |
| H55 | C55 | C56 | H56 | 0.4° | 0.0° |
| C56 | C51 | C52 | C53 | 0.7° | 0.3° |
| C56 | C51 | C52 | C42 | 179.6° | 180.0° |
| C56 | C51 | C52 | H52 | 179.3° | 179.9° |
| C56 | C51 | C42 | O43 | 159.9° | 0.0° |
| C56 | C51 | C42 | N41 | 19.9° | 180.0° |
| H56 | C56 | C51 | C52 | 179.5° | 180.0° |
| H56 | C56 | C51 | C42 | 0.9° | 0.0° |
| C53 | C52 | C51 | H52 | 180.0° | 179.8° |
| C53 | C52 | C51 | C42 | 178.9° | 179.7° |
| H53 | C53 | C52 | C51 | 179.9° | 180.0° |
| H53 | C53 | C52 | H52 | 0.1° | 0.2° |
| C52 | C51 | C42 | O43 | 19.7° | 180.0° |
| C52 | C51 | C42 | N41 | 160.5° | 0.0° |
| H52 | C52 | C51 | C42 | 1.1° | 0.1° |
| C51 | C42 | O43 | N41 | 179.8° | 180.0° |
| C51 | C42 | N41 | C37 | 169.1° | 180.0° |
| C51 | C42 | N41 | H41 | 10.9° | 0.0° |
| O43 | C42 | N41 | C37 | 10.7° | 0.0° |
| O43 | C42 | N41 | H41 | 169.3° | 179.9° |
| C42 | N41 | C37 | H41 | 180.0° | 179.9° |
| C42 | N41 | C37 | C36 | 75.5° | 85.3° |
| C42 | N41 | C37 | C31 | 159.4° | 155.3° |
| C42 | N41 | C37 | H37 | 41.4° | 35.0° |
| N41 | C37 | C36 | C31 | 122.1° | 119.9° |
| N41 | C37 | C36 | H37 | 120.3° | 120.2° |
| N41 | C37 | C31 | H37 | 120.4° | 120.3° |
| N41 | C37 | C36 | C35 | 51.2° | 167.6° |
| N41 | C37 | C36 | H361 | 176.5° | 72.4° |
| N41 | C37 | C36 | H362 | 74.1° | 47.5° |
| N41 | C37 | C31 | C32 | 113.4° | 149.0° |
| N41 | C37 | C31 | N23 | 124.6° | 27.6° |
| N41 | C37 | C31 | H31 | 2.8° | 89.8° |
| H41 | N41 | C37 | C36 | 104.5° | 94.8° |
| H41 | N41 | C37 | C31 | 20.5° | 24.7° |
| H41 | N41 | C37 | H37 | 138.5° | 145.0° |
| C36 | C37 | C31 | H37 | 116.7° | 119.9° |
| C37 | C36 | C35 | H361 | 125.3° | 120.0° |
| C37 | C36 | C35 | H362 | 125.3° | 120.1° |
| C37 | C36 | H361 | H362 | 116.3° | 119.8° |
| C37 | C36 | C35 | C34 | 82.1° | 61.1° |
| C37 | C36 | C35 | H351 | 152.6° | 177.7° |
| C37 | C36 | C35 | H352 | 43.2° | 60.1° |
| C36 | C37 | C31 | C32 | 9.5° | 91.2° |
| C36 | C37 | C31 | N23 | 112.5° | 147.5° |
| C36 | C37 | C31 | H31 | 125.7° | 30.0° |
| C31 | C37 | C36 | C35 | 70.9° | 72.6° |
| C31 | C37 | C36 | H361 | 54.4° | 47.5° |
| C31 | C37 | C36 | H362 | 163.8° | 167.3° |
| C37 | C31 | C32 | N33 | 62.6° | 43.2° |
| C37 | C31 | C32 | N23 | 126.3° | 121.4° |
| C37 | C31 | C32 | H31 | 110.9° | 121.1° |
| C37 | C31 | C32 | H321 | 62.7° | 164.4° |
| C37 | C31 | C32 | H322 | 172.2° | 77.9° |
| C37 | C31 | N23 | H31 | 111.7° | 117.3° |
| C37 | C31 | N23 | C21 | 113.0° | 149.9° |
| C37 | C31 | N23 | H23 | 66.9° | 30.0° |
| H37 | C37 | C36 | C35 | 171.5° | 47.3° |
| H37 | C37 | C36 | H361 | 63.3° | 167.4° |
| H37 | C37 | C36 | H362 | 46.2° | 72.8° |
| H37 | C37 | C31 | C32 | 126.2° | 28.7° |
| H37 | C37 | C31 | N23 | 4.2° | 92.6° |
| H37 | C37 | C31 | H31 | 117.6° | 149.9° |
| C35 | C36 | H361 | H362 | 116.3° | 119.9° |
| C36 | C35 | C34 | H351 | 125.3° | 121.1° |
| C36 | C35 | C34 | H352 | 125.3° | 121.2° |
| C36 | C35 | H351 | H352 | 116.6° | 117.8° |
| C36 | C35 | C34 | N33 | 64.9° | 87.9° |
| C36 | C35 | C34 | H341 | 60.4° | 31.5° |
| C36 | C35 | C34 | H342 | 169.9° | 152.8° |
| H361 | C36 | C35 | C34 | 43.2° | 58.9° |
| H361 | C36 | C35 | H351 | 82.1° | 62.3° |
| H361 | C36 | C35 | H352 | 168.5° | 179.9° |
| H362 | C36 | C35 | C34 | 152.6° | 178.8° |
| H362 | C36 | C35 | H351 | 27.3° | 57.6° |
| H362 | C36 | C35 | H352 | 82.1° | 60.0° |
| C34 | C35 | H351 | H352 | 116.6° | 117.8° |
| C35 | C34 | N33 | H341 | 125.3° | 119.4° |
| C35 | C34 | N33 | H342 | 125.3° | 119.3° |
| C35 | C34 | H341 | H342 | 116.9° | 121.2° |
| C35 | C34 | N33 | C32 | 75.2° | 98.2° |
| C35 | C34 | N33 | H33 | 159.6° | 147.1° |
| H351 | C35 | C34 | N33 | 169.9° | 151.0° |
| H351 | C35 | C34 | H341 | 64.8° | 89.6° |
| H351 | C35 | C34 | H342 | 44.6° | 31.6° |
| H352 | C35 | C34 | N33 | 60.4° | 33.3° |
| H352 | C35 | C34 | H341 | 174.3° | 152.7° |
| H352 | C35 | C34 | H342 | 64.9° | 86.0° |
| N33 | C34 | H341 | H342 | 116.9° | 121.3° |
| C34 | N33 | C32 | H33 | 125.3° | 114.7° |
| C34 | N33 | C32 | C31 | 93.9° | 41.6° |
| C34 | N33 | C32 | H321 | 31.4° | 79.7° |
| C34 | N33 | C32 | H322 | 140.9° | 162.7° |
| H341 | C34 | N33 | C32 | 50.1° | 21.2° |
| H341 | C34 | N33 | H33 | 75.1° | 93.5° |
| H342 | C34 | N33 | C32 | 159.6° | 142.5° |
| H342 | C34 | N33 | H33 | 34.3° | 27.8° |
| N33 | C32 | C31 | H321 | 125.2° | 121.2° |
| N33 | C32 | C31 | H322 | 125.3° | 121.1° |
| N33 | C32 | H321 | H322 | 117.4° | 117.7° |
| N33 | C32 | C31 | N23 | 171.1° | 164.6° |
| N33 | C32 | C31 | H31 | 48.4° | 77.9° |
| H33 | N33 | C32 | C31 | 140.9° | 156.4° |
| H33 | N33 | C32 | H321 | 93.9° | 35.1° |
| H33 | N33 | C32 | H322 | 15.7° | 82.6° |
| C31 | C32 | H321 | H322 | 117.4° | 117.7° |
| C32 | C31 | N23 | H31 | 118.0° | 117.6° |
| C32 | C31 | N23 | C21 | 116.7° | 85.0° |
| C32 | C31 | N23 | H23 | 63.3° | 95.0° |
| H321 | C32 | C31 | N23 | 63.6° | 74.2° |
| H321 | C32 | C31 | H31 | 173.6° | 43.3° |
| H322 | C32 | C31 | N23 | 45.9° | 43.5° |
| H322 | C32 | C31 | H31 | 76.9° | 161.0° |
| C31 | N23 | C21 | H23 | 180.0° | 180.0° |
| C31 | N23 | C21 | O22 | 0.7° | 0.0° |
| C31 | N23 | C21 | C14 | 176.4° | 180.0° |
| H31 | C31 | N23 | C21 | 1.3° | 32.6° |
| H31 | C31 | N23 | H23 | 178.7° | 147.4° |
| N23 | C21 | O22 | C14 | 177.0° | 180.0° |
| N23 | C21 | C14 | C13 | 166.9° | 180.0° |
| N23 | C21 | C14 | C15 | 8.8° | 0.3° |
| H23 | N23 | C21 | O22 | 179.3° | 180.0° |
| H23 | N23 | C21 | C14 | 3.7° | 0.0° |
| O22 | C21 | C14 | C13 | 10.1° | 0.1° |
| O22 | C21 | C14 | C15 | 174.2° | 179.7° |
| C21 | C14 | C13 | C15 | 176.0° | 179.7° |
| C21 | C14 | C13 | C12 | 178.1° | 180.0° |
| C21 | C14 | C13 | H13 | 1.9° | 0.0° |
| C21 | C14 | C15 | C16 | 177.8° | 179.7° |
| C21 | C14 | C15 | H15 | 2.2° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 1.6° | 0.1° |
| C14 | C13 | C12 | H12 | 178.4° | 180.0° |
| C13 | C14 | C15 | C16 | 2.2° | 0.6° |
| C13 | C14 | C15 | H15 | 177.8° | 180.0° |
| C15 | C14 | C13 | C12 | 2.1° | 0.3° |
| C15 | C14 | C13 | H13 | 177.9° | 179.7° |
| C14 | C15 | C16 | N11 | 1.7° | 0.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.4° |
| C14 | C15 | C16 | H16 | 178.3° | 179.7° |
| C13 | C12 | N11 | H12 | 180.0° | 179.9° |
| C13 | C12 | N11 | C16 | 1.1° | 0.1° |
| H13 | C13 | C12 | N11 | 178.4° | 180.0° |
| H13 | C13 | C12 | H12 | 1.6° | 0.0° |
| C12 | N11 | C16 | C15 | 1.2° | 0.3° |
| C12 | N11 | C16 | H16 | 178.8° | 180.0° |
| H12 | C12 | N11 | C16 | 178.9° | 180.0° |
| N11 | C16 | C15 | H16 | 180.0° | 179.7° |
| N11 | C16 | C15 | H15 | 178.3° | 180.0° |
| H16 | C16 | C15 | H15 | 1.7° | 0.3° |
