I01
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| F96 | C76 | sing | 1.35Å | 1.33Å | |
| C76 | C75 | doub | 1.39Å | 1.36Å | Aromatic |
| C76 | C71 | sing | 1.40Å | 1.38Å | Aromatic |
| C75 | O95 | sing | 1.36Å | 1.38Å | |
| C75 | C74 | sing | 1.39Å | 1.41Å | Aromatic |
| O95 | C98 | sing | 1.43Å | 1.41Å | |
| C98 | H981 | sing | 1.09Å | 1.12Å | |
| C98 | H982 | sing | 1.09Å | 1.11Å | |
| C98 | H983 | sing | 1.09Å | 1.11Å | |
| C74 | C73 | doub | 1.38Å | 1.40Å | Aromatic |
| C74 | H74 | sing | 1.08Å | 1.10Å | |
| C73 | C72 | sing | 1.39Å | 1.44Å | Aromatic |
| C73 | H73 | sing | 1.08Å | 1.10Å | |
| C72 | O92 | sing | 1.36Å | 1.30Å | |
| C72 | C71 | doub | 1.40Å | 1.42Å | Aromatic |
| O92 | H92 | sing | 0.97Å | 0.95Å | |
| C71 | C61 | sing | 1.47Å | 1.45Å | |
| C61 | O62 | doub | 1.22Å | 1.26Å | |
| C61 | C54 | sing | 1.48Å | 1.47Å | |
| C54 | C55 | sing | 1.40Å | 1.42Å | Aromatic |
| C54 | C53 | doub | 1.40Å | 1.40Å | Aromatic |
| C55 | C56 | doub | 1.38Å | 1.39Å | Aromatic |
| C55 | H55 | sing | 1.08Å | 1.10Å | |
| C56 | C51 | sing | 1.40Å | 1.42Å | 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 | 1.47Å | |
| C42 | O43 | doub | 1.21Å | 1.24Å | |
| C42 | O41 | sing | 1.35Å | 1.34Å | |
| O41 | C37 | sing | 1.45Å | 1.41Å | |
| C37 | C36 | sing | 1.56Å | 1.54Å | |
| C37 | C31 | sing | 1.51Å | 1.53Å | |
| C37 | H37 | sing | 1.09Å | 1.12Å | |
| C36 | C35 | sing | 1.46Å | 1.53Å | |
| C36 | H361 | sing | 1.09Å | 1.11Å | |
| C36 | H362 | sing | 1.09Å | 1.11Å | |
| C35 | C34 | sing | 1.53Å | 1.52Å | |
| C35 | H351 | sing | 1.09Å | 1.12Å | |
| C35 | H352 | sing | 1.09Å | 1.11Å | |
| C34 | N33 | sing | 1.44Å | 1.47Å | |
| C34 | H341 | sing | 1.09Å | 1.12Å | |
| C34 | H342 | sing | 1.09Å | 1.11Å | |
| N33 | C32 | sing | 1.48Å | 1.48Å | |
| 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 | 1.12Å | |
| C31 | N23 | sing | 1.46Å | 1.47Å | |
| C31 | H31 | sing | 1.09Å | 1.11Å | |
| N23 | C21 | sing | 1.35Å | 1.40Å | |
| N23 | H23 | sing | 0.97Å | 1.02Å | |
| C21 | O22 | doub | 1.21Å | 1.24Å | |
| C21 | C14 | sing | 1.48Å | 1.47Å | |
| C14 | C13 | sing | 1.40Å | 1.40Å | Aromatic |
| C14 | C15 | doub | 1.40Å | 1.42Å | Aromatic |
| C13 | C12 | doub | 1.38Å | 1.38Å | 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 | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.38Å | 1.38Å | 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 | 116.5° | 120.1° |
| F96 | C76 | C71 | 117.2° | 120.1° |
| C75 | C76 | C71 | 126.3° | 119.8° |
| C76 | C75 | O95 | 114.8° | 119.9° |
| C76 | C75 | C74 | 117.6° | 120.2° |
| C76 | C71 | C72 | 117.7° | 119.6° |
| C76 | C71 | C61 | 117.9° | 120.2° |
| O95 | C75 | C74 | 127.6° | 119.9° |
| C75 | O95 | C98 | 118.1° | 106.8° |
| C75 | C74 | C73 | 119.3° | 120.4° |
| C75 | C74 | H74 | 120.8° | 119.8° |
| O95 | C98 | H981 | 109.1° | 109.4° |
| O95 | C98 | H982 | 118.1° | 109.5° |
| O95 | C98 | H983 | 109.1° | 109.5° |
| H981 | C98 | H982 | 109.1° | 109.5° |
| H981 | C98 | H983 | 101.0° | 109.5° |
| H982 | C98 | H983 | 109.1° | 109.5° |
| C73 | C74 | H74 | 120.0° | 119.8° |
| C74 | C73 | C72 | 122.0° | 120.2° |
| C74 | C73 | H73 | 117.5° | 119.9° |
| C72 | C73 | H73 | 120.6° | 119.9° |
| C73 | C72 | O92 | 122.5° | 120.0° |
| C73 | C72 | C71 | 117.2° | 119.9° |
| O92 | C72 | C71 | 120.4° | 120.1° |
| C72 | O92 | H92 | 122.4° | 106.8° |
| C72 | C71 | C61 | 124.4° | 120.2° |
| C71 | C61 | O62 | 120.2° | 120.0° |
| C71 | C61 | C54 | 125.0° | 120.0° |
| O62 | C61 | C54 | 114.7° | 120.0° |
| C61 | C54 | C55 | 122.0° | 120.0° |
| C61 | C54 | C53 | 117.9° | 120.0° |
| C55 | C54 | C53 | 120.0° | 120.0° |
| C54 | C55 | C56 | 119.0° | 120.0° |
| C54 | C55 | H55 | 121.5° | 120.1° |
| C54 | C53 | C52 | 120.6° | 120.0° |
| C54 | C53 | H53 | 120.7° | 120.0° |
| C56 | C55 | H55 | 119.4° | 120.0° |
| C55 | C56 | C51 | 120.3° | 120.0° |
| C55 | C56 | H56 | 118.8° | 119.9° |
| C51 | C56 | H56 | 120.9° | 120.0° |
| C56 | C51 | C52 | 119.6° | 120.0° |
| C56 | C51 | C42 | 122.2° | 120.0° |
| C52 | C53 | H53 | 118.6° | 120.0° |
| C53 | C52 | C51 | 120.4° | 120.0° |
| C53 | C52 | H52 | 118.8° | 120.0° |
| C51 | C52 | H52 | 120.8° | 120.0° |
| C52 | C51 | C42 | 118.2° | 120.0° |
| C51 | C42 | O43 | 124.7° | 120.0° |
| C51 | C42 | O41 | 116.1° | 120.0° |
| O43 | C42 | O41 | 119.2° | 120.0° |
| C42 | O41 | C37 | 121.8° | 120.0° |
| O41 | C37 | C36 | 109.9° | 109.6° |
| O41 | C37 | C31 | 107.7° | 109.6° |
| O41 | C37 | H37 | 112.2° | 109.6° |
| C36 | C37 | C31 | 114.4° | 108.9° |
| C36 | C37 | H37 | 105.2° | 109.6° |
| C37 | C36 | C35 | 116.4° | 109.8° |
| C37 | C36 | H361 | 109.7° | 109.4° |
| C37 | C36 | H362 | 109.7° | 109.4° |
| C31 | C37 | H37 | 107.5° | 109.6° |
| C37 | C31 | C32 | 115.9° | 114.6° |
| C37 | C31 | N23 | 108.7° | 108.5° |
| C37 | C31 | H31 | 105.8° | 108.3° |
| C35 | C36 | H361 | 109.7° | 109.5° |
| C35 | C36 | H362 | 109.7° | 109.4° |
| C36 | C35 | C34 | 110.7° | 113.9° |
| C36 | C35 | H351 | 111.7° | 108.6° |
| C36 | C35 | H352 | 111.7° | 108.6° |
| H361 | C36 | H362 | 100.5° | 109.3° |
| C34 | C35 | H351 | 111.7° | 108.6° |
| C34 | C35 | H352 | 111.8° | 108.6° |
| C35 | C34 | N33 | 108.9° | 107.0° |
| C35 | C34 | H341 | 112.4° | 109.9° |
| C35 | C34 | H342 | 112.4° | 109.9° |
| H351 | C35 | H352 | 98.7° | 108.4° |
| N33 | C34 | H341 | 112.4° | 110.0° |
| N33 | C34 | H342 | 112.5° | 109.9° |
| C34 | N33 | C32 | 113.9° | 108.7° |
| C34 | N33 | H33 | 110.6° | 106.7° |
| H341 | C34 | H342 | 98.0° | 110.1° |
| C32 | N33 | H33 | 110.6° | 106.7° |
| N33 | C32 | C31 | 112.5° | 114.1° |
| N33 | C32 | H321 | 111.1° | 108.6° |
| N33 | C32 | H322 | 111.1° | 108.6° |
| C31 | C32 | H321 | 111.1° | 108.6° |
| C31 | C32 | H322 | 111.1° | 108.4° |
| C32 | C31 | N23 | 110.1° | 108.5° |
| C32 | C31 | H31 | 104.2° | 108.5° |
| H321 | C32 | H322 | 99.3° | 108.4° |
| N23 | C31 | H31 | 112.1° | 108.4° |
| C31 | N23 | C21 | 123.9° | 120.0° |
| C31 | N23 | H23 | 120.7° | 120.0° |
| C21 | N23 | H23 | 115.5° | 120.0° |
| N23 | C21 | O22 | 119.6° | 120.0° |
| N23 | C21 | C14 | 119.1° | 120.0° |
| O22 | C21 | C14 | 121.3° | 120.0° |
| C21 | C14 | C13 | 118.6° | 121.0° |
| C21 | C14 | C15 | 122.5° | 120.9° |
| C13 | C14 | C15 | 118.9° | 118.1° |
| C14 | C13 | C12 | 119.9° | 119.1° |
| C14 | C13 | H13 | 120.7° | 120.5° |
| C14 | C15 | C16 | 120.7° | 119.0° |
| C14 | C15 | H15 | 121.1° | 120.5° |
| C12 | C13 | H13 | 119.4° | 120.5° |
| C13 | C12 | N11 | 120.1° | 120.8° |
| C13 | C12 | H12 | 119.6° | 119.6° |
| N11 | C12 | H12 | 120.3° | 119.6° |
| C12 | N11 | C16 | 120.9° | 122.1° |
| N11 | C16 | C15 | 119.5° | 120.9° |
| N11 | C16 | H16 | 120.4° | 119.5° |
| C15 | C16 | H16 | 120.2° | 119.6° |
| C16 | C15 | H15 | 118.2° | 120.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| F96 | C76 | C75 | C71 | 178.6° | 179.6° |
| F96 | C76 | C75 | O95 | 2.4° | 0.2° |
| F96 | C76 | C75 | C74 | 179.8° | 179.9° |
| F96 | C76 | C71 | C72 | 179.0° | 180.0° |
| F96 | C76 | C71 | C61 | 0.5° | 0.2° |
| C76 | C75 | O95 | C74 | 177.6° | 179.7° |
| C76 | C75 | O95 | C98 | 163.4° | 179.7° |
| C76 | C75 | C74 | C73 | 1.0° | 0.3° |
| C76 | C75 | C74 | H74 | 179.0° | 179.7° |
| C75 | C76 | C71 | C72 | 0.4° | 0.5° |
| C75 | C76 | C71 | C61 | 178.1° | 179.7° |
| C71 | C76 | C75 | O95 | 179.0° | 179.8° |
| C71 | C76 | C75 | C74 | 1.1° | 0.5° |
| C76 | C71 | C72 | C73 | 0.5° | 0.2° |
| C76 | C71 | C72 | O92 | 179.4° | 179.8° |
| C76 | C71 | C72 | C61 | 178.4° | 179.8° |
| C76 | C71 | C61 | O62 | 55.7° | 91.4° |
| C76 | C71 | C61 | C54 | 120.8° | 88.5° |
| C75 | O95 | C98 | H981 | 54.7° | 60.0° |
| C75 | O95 | C98 | H982 | 180.0° | 60.0° |
| C75 | O95 | C98 | H983 | 54.7° | 180.0° |
| O95 | C75 | C74 | C73 | 178.5° | 180.0° |
| O95 | C75 | C74 | H74 | 1.5° | 0.1° |
| C74 | C75 | O95 | C98 | 19.1° | 0.0° |
| C75 | C74 | C73 | H74 | 180.0° | 179.9° |
| C75 | C74 | C73 | C72 | 0.1° | 0.1° |
| C75 | C74 | C73 | H73 | 179.9° | 179.9° |
| O95 | C98 | H981 | H982 | 130.4° | 120.0° |
| O95 | C98 | H981 | H983 | 114.8° | 120.0° |
| O95 | C98 | H982 | H983 | 125.3° | 120.0° |
| H981 | C98 | H982 | H983 | 109.5° | 120.0° |
| C74 | C73 | C72 | H73 | 180.0° | 180.0° |
| C74 | C73 | C72 | O92 | 179.2° | 180.0° |
| C74 | C73 | C72 | C71 | 0.6° | 0.0° |
| H74 | C74 | C73 | C72 | 179.9° | 180.0° |
| H74 | C74 | C73 | H73 | 0.1° | 0.0° |
| C73 | C72 | O92 | C71 | 179.8° | 180.0° |
| C73 | C72 | O92 | H92 | 180.0° | 85.1° |
| C73 | C72 | C71 | C61 | 178.9° | 180.0° |
| H73 | C73 | C72 | O92 | 0.8° | 0.0° |
| H73 | C73 | C72 | C71 | 179.4° | 180.0° |
| O92 | C72 | C71 | C61 | 1.0° | 0.0° |
| C71 | C72 | O92 | H92 | 0.2° | 94.9° |
| C72 | C71 | C61 | O62 | 122.7° | 88.3° |
| C72 | C71 | C61 | C54 | 60.8° | 91.7° |
| C71 | C61 | O62 | C54 | 176.8° | 180.0° |
| C71 | C61 | C54 | C55 | 26.5° | 174.8° |
| C71 | C61 | C54 | C53 | 156.1° | 5.0° |
| O62 | C61 | C54 | C55 | 150.1° | 5.2° |
| O62 | C61 | C54 | C53 | 27.2° | 175.1° |
| C61 | C54 | C55 | C53 | 177.3° | 179.7° |
| C61 | C54 | C55 | C56 | 178.0° | 180.0° |
| C61 | C54 | C55 | H55 | 1.9° | 0.0° |
| C61 | C54 | C53 | C52 | 178.0° | 179.7° |
| C61 | C54 | C53 | H53 | 2.0° | 0.2° |
| C54 | C55 | C56 | H55 | 180.0° | 179.9° |
| C54 | C55 | C56 | C51 | 0.9° | 0.1° |
| C54 | C55 | C56 | H56 | 179.1° | 180.0° |
| C55 | C54 | C53 | C52 | 0.6° | 0.5° |
| C55 | C54 | C53 | H53 | 179.4° | 179.9° |
| C53 | C54 | C55 | C56 | 0.7° | 0.3° |
| C53 | C54 | C55 | H55 | 179.2° | 179.7° |
| C54 | C53 | C52 | H53 | 180.0° | 179.6° |
| C54 | C53 | C52 | C51 | 0.6° | 0.5° |
| C54 | C53 | C52 | H52 | 179.4° | 179.7° |
| C55 | C56 | C51 | H56 | 180.0° | 179.9° |
| C55 | C56 | C51 | C52 | 1.0° | 0.0° |
| C55 | C56 | C51 | C42 | 178.4° | 180.0° |
| H55 | C55 | C56 | C51 | 179.0° | 180.0° |
| H55 | C55 | C56 | H56 | 1.0° | 0.1° |
| C56 | C51 | C52 | C53 | 0.8° | 0.2° |
| C56 | C51 | C52 | C42 | 179.4° | 180.0° |
| C56 | C51 | C52 | H52 | 179.2° | 180.0° |
| C56 | C51 | C42 | O43 | 166.9° | 0.0° |
| C56 | C51 | C42 | O41 | 11.3° | 180.0° |
| H56 | C56 | C51 | C52 | 179.0° | 180.0° |
| H56 | C56 | C51 | C42 | 1.6° | 0.1° |
| C53 | C52 | C51 | H52 | 180.0° | 179.8° |
| C53 | C52 | C51 | C42 | 178.6° | 179.8° |
| H53 | C53 | C52 | C51 | 179.4° | 180.0° |
| H53 | C53 | C52 | H52 | 0.6° | 0.2° |
| C52 | C51 | C42 | O43 | 12.5° | 180.0° |
| C52 | C51 | C42 | O41 | 169.3° | 0.0° |
| H52 | C52 | C51 | C42 | 1.4° | 0.0° |
| C51 | C42 | O43 | O41 | 178.1° | 180.0° |
| C51 | C42 | O41 | C37 | 170.5° | 180.0° |
| O43 | C42 | O41 | C37 | 7.8° | 0.0° |
| C42 | O41 | C37 | C36 | 76.7° | 90.3° |
| C42 | O41 | C37 | C31 | 158.0° | 150.3° |
| C42 | O41 | C37 | H37 | 39.9° | 30.0° |
| O41 | C37 | C36 | C31 | 121.3° | 119.9° |
| O41 | C37 | C36 | H37 | 121.0° | 120.3° |
| O41 | C37 | C31 | H37 | 121.1° | 120.3° |
| O41 | C37 | C36 | C35 | 46.0° | 167.6° |
| O41 | C37 | C36 | H361 | 171.2° | 72.3° |
| O41 | C37 | C36 | H362 | 79.3° | 47.5° |
| O41 | C37 | C31 | C32 | 110.9° | 149.0° |
| O41 | C37 | C31 | N23 | 124.5° | 27.6° |
| O41 | C37 | C31 | H31 | 4.0° | 89.8° |
| C36 | C37 | C31 | H37 | 116.4° | 119.9° |
| C37 | C36 | C35 | H361 | 125.2° | 120.1° |
| C37 | C36 | C35 | H362 | 125.3° | 120.1° |
| C37 | C36 | H361 | H362 | 115.5° | 119.8° |
| C37 | C36 | C35 | C34 | 85.1° | 61.1° |
| C37 | C36 | C35 | H351 | 149.6° | 177.7° |
| C37 | C36 | C35 | H352 | 40.2° | 60.0° |
| C36 | C37 | C31 | C32 | 11.6° | 91.1° |
| C36 | C37 | C31 | N23 | 113.0° | 147.5° |
| C36 | C37 | C31 | H31 | 126.5° | 30.1° |
| C31 | C37 | C36 | C35 | 75.3° | 72.6° |
| C31 | C37 | C36 | H361 | 49.9° | 47.6° |
| C31 | C37 | C36 | H362 | 159.4° | 167.3° |
| C37 | C31 | C32 | N33 | 58.2° | 43.2° |
| C37 | C31 | C32 | N23 | 123.8° | 121.4° |
| C37 | C31 | C32 | H31 | 115.8° | 121.1° |
| C37 | C31 | C32 | H321 | 67.0° | 164.4° |
| C37 | C31 | C32 | H322 | 176.5° | 78.0° |
| C37 | C31 | N23 | H31 | 116.6° | 117.4° |
| C37 | C31 | N23 | C21 | 113.5° | 149.9° |
| C37 | C31 | N23 | H23 | 66.5° | 30.1° |
| H37 | C37 | C36 | C35 | 167.0° | 47.3° |
| H37 | C37 | C36 | H361 | 67.8° | 167.4° |
| H37 | C37 | C36 | H362 | 41.7° | 72.8° |
| H37 | C37 | C31 | C32 | 128.0° | 28.7° |
| H37 | C37 | C31 | N23 | 3.4° | 92.7° |
| H37 | C37 | C31 | H31 | 117.1° | 149.9° |
| C35 | C36 | H361 | H362 | 115.5° | 119.8° |
| C36 | C35 | C34 | H351 | 125.2° | 121.2° |
| C36 | C35 | C34 | H352 | 125.3° | 121.1° |
| C36 | C35 | H351 | H352 | 117.6° | 117.8° |
| C36 | C35 | C34 | N33 | 64.9° | 87.8° |
| C36 | C35 | C34 | H341 | 60.4° | 31.6° |
| C36 | C35 | C34 | H342 | 169.8° | 152.9° |
| H361 | C36 | C35 | C34 | 40.1° | 59.0° |
| H361 | C36 | C35 | H351 | 85.1° | 62.2° |
| H361 | C36 | C35 | H352 | 165.4° | 179.9° |
| H362 | C36 | C35 | C34 | 149.6° | 178.8° |
| H362 | C36 | C35 | H351 | 24.3° | 57.6° |
| H362 | C36 | C35 | H352 | 85.1° | 60.1° |
| C34 | C35 | H351 | H352 | 117.7° | 117.9° |
| C35 | C34 | N33 | H341 | 125.2° | 119.3° |
| C35 | C34 | N33 | H342 | 125.3° | 119.3° |
| C35 | C34 | H341 | H342 | 118.3° | 121.2° |
| C35 | C34 | N33 | C32 | 78.2° | 98.2° |
| C35 | C34 | N33 | H33 | 156.6° | 147.1° |
| H351 | C35 | C34 | N33 | 169.9° | 151.0° |
| H351 | C35 | C34 | H341 | 64.9° | 89.6° |
| H351 | C35 | C34 | H342 | 44.6° | 31.7° |
| H352 | C35 | C34 | N33 | 60.4° | 33.3° |
| H352 | C35 | C34 | H341 | 174.4° | 152.6° |
| H352 | C35 | C34 | H342 | 64.9° | 86.1° |
| N33 | C34 | H341 | H342 | 118.4° | 121.3° |
| C34 | N33 | C32 | H33 | 125.3° | 114.7° |
| C34 | N33 | C32 | C31 | 96.7° | 41.6° |
| C34 | N33 | C32 | H321 | 28.5° | 79.6° |
| C34 | N33 | C32 | H322 | 138.0° | 162.7° |
| H341 | C34 | N33 | C32 | 47.1° | 21.2° |
| H341 | C34 | N33 | H33 | 78.2° | 93.5° |
| H342 | C34 | N33 | C32 | 156.6° | 142.5° |
| H342 | C34 | N33 | H33 | 31.3° | 27.8° |
| N33 | C32 | C31 | H321 | 125.2° | 121.2° |
| N33 | C32 | C31 | H322 | 125.3° | 121.2° |
| N33 | C32 | H321 | H322 | 117.0° | 117.8° |
| N33 | C32 | C31 | N23 | 178.0° | 164.6° |
| N33 | C32 | C31 | H31 | 57.6° | 77.9° |
| H33 | N33 | C32 | C31 | 138.1° | 156.3° |
| H33 | N33 | C32 | H321 | 96.7° | 35.1° |
| H33 | N33 | C32 | H322 | 12.8° | 82.6° |
| C31 | C32 | H321 | H322 | 117.0° | 117.6° |
| C32 | C31 | N23 | H31 | 115.5° | 117.6° |
| C32 | C31 | N23 | C21 | 118.6° | 85.0° |
| C32 | C31 | N23 | H23 | 61.4° | 95.0° |
| H321 | C32 | C31 | N23 | 56.8° | 74.2° |
| H321 | C32 | C31 | H31 | 177.2° | 43.3° |
| H322 | C32 | C31 | N23 | 52.7° | 43.4° |
| H322 | C32 | C31 | H31 | 67.7° | 160.9° |
| C31 | N23 | C21 | H23 | 180.0° | 180.0° |
| C31 | N23 | C21 | O22 | 6.3° | 0.0° |
| C31 | N23 | C21 | C14 | 173.5° | 180.0° |
| H31 | C31 | N23 | C21 | 3.1° | 32.6° |
| H31 | C31 | N23 | H23 | 176.9° | 147.4° |
| N23 | C21 | O22 | C14 | 179.9° | 180.0° |
| N23 | C21 | C14 | C13 | 173.5° | 180.0° |
| N23 | C21 | C14 | C15 | 5.4° | 0.3° |
| H23 | N23 | C21 | O22 | 173.7° | 180.0° |
| H23 | N23 | C21 | C14 | 6.5° | 0.0° |
| O22 | C21 | C14 | C13 | 6.4° | 0.0° |
| O22 | C21 | C14 | C15 | 174.7° | 179.7° |
| C21 | C14 | C13 | C15 | 179.0° | 179.7° |
| C21 | C14 | C13 | C12 | 179.5° | 180.0° |
| C21 | C14 | C13 | H13 | 0.6° | 0.0° |
| C21 | C14 | C15 | C16 | 179.5° | 179.7° |
| C21 | C14 | C15 | H15 | 0.5° | 0.3° |
| C14 | C13 | C12 | H13 | 180.0° | 180.0° |
| C14 | C13 | C12 | N11 | 0.1° | 0.0° |
| C14 | C13 | C12 | H12 | 179.9° | 180.0° |
| C13 | C14 | C15 | C16 | 0.5° | 0.5° |
| C13 | C14 | C15 | H15 | 179.5° | 180.0° |
| C15 | C14 | C13 | C12 | 0.5° | 0.3° |
| C15 | C14 | C13 | H13 | 179.5° | 179.7° |
| C14 | C15 | C16 | N11 | 0.2° | 0.6° |
| C14 | C15 | C16 | H15 | 180.0° | 179.5° |
| C14 | C15 | C16 | H16 | 179.9° | 179.7° |
| C13 | C12 | N11 | H12 | 180.0° | 180.0° |
| C13 | C12 | N11 | C16 | 0.3° | 0.1° |
| H13 | C13 | C12 | N11 | 180.0° | 180.0° |
| H13 | C13 | C12 | H12 | 0.1° | 0.0° |
| C12 | N11 | C16 | C15 | 0.3° | 0.3° |
| C12 | N11 | C16 | H16 | 179.7° | 180.0° |
| H12 | C12 | N11 | C16 | 179.7° | 180.0° |
| N11 | C16 | C15 | H16 | 180.0° | 179.7° |
| N11 | C16 | C15 | H15 | 179.8° | 179.9° |
| H16 | C16 | C15 | H15 | 0.1° | 0.3° |
