E3I
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N16 | C14 | sing | 1.35Å | 1.36Å | |
| O12 | C11 | sing | 1.36Å | 1.32Å | |
| C14 | O15 | doub | 1.22Å | 1.25Å | |
| C14 | C13 | sing | 1.48Å | 1.46Å | |
| C11 | C13 | doub | 1.40Å | 1.42Å | Aromatic |
| C11 | C09 | sing | 1.39Å | 1.39Å | Aromatic |
| CL10 | C09 | sing | 1.74Å | 1.73Å | |
| C13 | C17 | sing | 1.40Å | 1.39Å | Aromatic |
| C09 | C08 | doub | 1.38Å | 1.37Å | Aromatic |
| C17 | C07 | doub | 1.39Å | 1.39Å | Aromatic |
| C08 | C07 | sing | 1.40Å | 1.41Å | Aromatic |
| C07 | C06 | sing | 1.48Å | 1.43Å | |
| C06 | C18 | doub | 1.36Å | 1.41Å | Aromatic |
| C06 | C05 | sing | 1.47Å | 1.45Å | Aromatic |
| C18 | N19 | sing | 1.37Å | 1.35Å | Aromatic |
| O04 | C03 | doub | 1.22Å | 1.22Å | |
| C05 | C03 | sing | 1.41Å | 1.46Å | |
| C05 | C42 | doub | 1.40Å | 1.38Å | Aromatic |
| N19 | C20 | sing | 1.46Å | 1.37Å | |
| N19 | C42 | sing | 1.36Å | 1.35Å | Aromatic |
| C03 | N01 | sing | 1.35Å | 1.43Å | |
| C20 | C21 | sing | 1.51Å | 1.50Å | |
| CL40 | C39 | sing | 1.74Å | 1.73Å | |
| C42 | N43 | sing | 1.34Å | 1.35Å | |
| N01 | C02 | sing | 1.47Å | 1.47Å | |
| N01 | C44 | sing | 1.36Å | 1.37Å | |
| N22 | C21 | sing | 1.35Å | 1.34Å | |
| N22 | C23 | sing | 1.40Å | 1.39Å | |
| C21 | O41 | doub | 1.21Å | 1.25Å | |
| N43 | C44 | doub | 1.30Å | 1.31Å | |
| C44 | C45 | sing | 1.51Å | 1.46Å | |
| C39 | C23 | doub | 1.40Å | 1.38Å | Aromatic |
| C39 | C38 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C24 | sing | 1.39Å | 1.38Å | Aromatic |
| F47 | C45 | sing | 1.40Å | 1.25Å | |
| C45 | F46 | sing | 1.40Å | 1.37Å | |
| C45 | F48 | sing | 1.40Å | 1.39Å | |
| C38 | N37 | doub | 1.32Å | 1.30Å | Aromatic |
| C24 | C25 | doub | 1.39Å | 1.38Å | Aromatic |
| N37 | C25 | sing | 1.33Å | 1.34Å | Aromatic |
| C25 | N26 | sing | 1.39Å | 1.40Å | |
| N26 | C27 | sing | 1.47Å | 1.51Å | |
| N26 | C36 | sing | 1.47Å | 1.48Å | |
| C27 | C28 | sing | 1.53Å | 1.55Å | |
| C27 | C29 | sing | 1.53Å | 1.54Å | |
| C36 | C35 | sing | 1.53Å | 1.46Å | |
| C29 | N30 | sing | 1.47Å | 1.45Å | |
| C35 | N30 | sing | 1.47Å | 1.41Å | |
| N30 | C31 | sing | 1.47Å | 1.50Å | |
| C31 | C32 | sing | 1.54Å | 1.50Å | |
| C31 | C34 | sing | 1.54Å | 1.57Å | |
| C32 | O33 | sing | 1.44Å | 1.50Å | |
| C34 | O33 | sing | 1.44Å | 1.40Å | |
| C02 | H022 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.09Å | 1.10Å | |
| C02 | H023 | sing | 1.09Å | 1.10Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C17 | H171 | sing | 1.08Å | 1.08Å | |
| C18 | H181 | sing | 1.08Å | 1.08Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C24 | H241 | sing | 1.08Å | 1.08Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C28 | H283 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C38 | H381 | sing | 1.08Å | 1.08Å | |
| N16 | H162 | sing | 0.97Å | 1.00Å | |
| N16 | H161 | sing | 0.97Å | 1.00Å | |
| N22 | H221 | sing | 0.97Å | 1.00Å | |
| O12 | H121 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C14 | O15 | 121.0° | 120.0° |
| N16 | C14 | C13 | 116.9° | 120.0° |
| C14 | N16 | H162 | 120.0° | 120.0° |
| C14 | N16 | H161 | 120.0° | 120.0° |
| O12 | C11 | C13 | 120.7° | 120.0° |
| O12 | C11 | C09 | 122.1° | 120.0° |
| C11 | O12 | H121 | 109.5° | 114.0° |
| O15 | C14 | C13 | 122.0° | 120.0° |
| C14 | C13 | C11 | 123.2° | 120.1° |
| C14 | C13 | C17 | 117.9° | 120.2° |
| C13 | C11 | C09 | 117.2° | 120.0° |
| C11 | C13 | C17 | 118.8° | 119.7° |
| C11 | C09 | CL10 | 121.4° | 119.9° |
| C11 | C09 | C08 | 122.2° | 120.2° |
| CL10 | C09 | C08 | 116.3° | 119.9° |
| C13 | C17 | C07 | 124.7° | 119.9° |
| C13 | C17 | H171 | 117.6° | 120.0° |
| C09 | C08 | C07 | 122.5° | 120.2° |
| C09 | C08 | H081 | 118.7° | 119.9° |
| C17 | C07 | C08 | 114.5° | 120.0° |
| C17 | C07 | C06 | 127.3° | 120.0° |
| C07 | C17 | H171 | 117.6° | 120.1° |
| C08 | C07 | C06 | 118.2° | 120.0° |
| C07 | C08 | H081 | 118.7° | 119.9° |
| C07 | C06 | C18 | 123.7° | 126.8° |
| C07 | C06 | C05 | 134.3° | 126.8° |
| C18 | C06 | C05 | 101.9° | 106.4° |
| C06 | C18 | N19 | 110.7° | 109.5° |
| C06 | C18 | H181 | 124.7° | 125.3° |
| C06 | C05 | C03 | 133.4° | 134.7° |
| C06 | C05 | C42 | 110.3° | 106.3° |
| C18 | N19 | C20 | 123.2° | 124.8° |
| C18 | N19 | C42 | 110.7° | 110.3° |
| N19 | C18 | H181 | 124.7° | 125.3° |
| O04 | C03 | C05 | 126.3° | 121.0° |
| O04 | C03 | N01 | 119.4° | 120.9° |
| C03 | C05 | C42 | 116.1° | 119.0° |
| C05 | C03 | N01 | 113.9° | 118.1° |
| C05 | C42 | N19 | 106.4° | 107.6° |
| C05 | C42 | N43 | 128.4° | 118.9° |
| C20 | N19 | C42 | 126.1° | 124.9° |
| N19 | C20 | C21 | 116.0° | 109.5° |
| N19 | C20 | H202 | 107.8° | 109.5° |
| N19 | C20 | H201 | 107.8° | 109.5° |
| N19 | C42 | N43 | 125.3° | 133.5° |
| C03 | N01 | C02 | 116.7° | 119.9° |
| C03 | N01 | C44 | 122.5° | 120.2° |
| C20 | C21 | N22 | 119.7° | 120.0° |
| C20 | C21 | O41 | 116.8° | 120.0° |
| C21 | C20 | H202 | 107.8° | 109.5° |
| C21 | C20 | H201 | 107.8° | 109.5° |
| CL40 | C39 | C23 | 122.6° | 120.4° |
| CL40 | C39 | C38 | 117.6° | 120.4° |
| C42 | N43 | C44 | 114.7° | 121.3° |
| C02 | N01 | C44 | 120.8° | 119.9° |
| N01 | C02 | H022 | 109.5° | 109.5° |
| N01 | C02 | H021 | 109.5° | 109.4° |
| N01 | C02 | H023 | 109.5° | 109.4° |
| N01 | C44 | N43 | 124.3° | 122.4° |
| N01 | C44 | C45 | 118.7° | 118.8° |
| C21 | N22 | C23 | 128.9° | 120.0° |
| N22 | C21 | O41 | 123.4° | 120.0° |
| C21 | N22 | H221 | 115.6° | 120.0° |
| N22 | C23 | C39 | 120.8° | 120.8° |
| N22 | C23 | C24 | 123.0° | 120.8° |
| C23 | N22 | H221 | 115.5° | 120.0° |
| N43 | C44 | C45 | 116.9° | 118.8° |
| C44 | C45 | F47 | 119.3° | 109.5° |
| C44 | C45 | F46 | 114.0° | 109.4° |
| C44 | C45 | F48 | 111.3° | 109.4° |
| C23 | C39 | C38 | 119.7° | 119.3° |
| C39 | C23 | C24 | 115.9° | 118.3° |
| C39 | C38 | N37 | 122.9° | 120.9° |
| C39 | C38 | H381 | 118.6° | 119.5° |
| C23 | C24 | C25 | 122.2° | 119.0° |
| C23 | C24 | H241 | 118.9° | 120.5° |
| F47 | C45 | F46 | 103.8° | 109.5° |
| F47 | C45 | F48 | 106.3° | 109.5° |
| F46 | C45 | F48 | 100.2° | 109.5° |
| C38 | N37 | C25 | 119.7° | 121.8° |
| N37 | C38 | H381 | 118.5° | 119.6° |
| C24 | C25 | N37 | 119.4° | 120.6° |
| C24 | C25 | N26 | 122.3° | 119.7° |
| C25 | C24 | H241 | 118.9° | 120.4° |
| N37 | C25 | N26 | 118.3° | 119.7° |
| C25 | N26 | C27 | 123.0° | 111.0° |
| C25 | N26 | C36 | 121.1° | 111.0° |
| C27 | N26 | C36 | 113.8° | 110.9° |
| N26 | C27 | C28 | 107.5° | 109.5° |
| N26 | C27 | C29 | 112.0° | 109.3° |
| N26 | C27 | H271 | 107.9° | 109.6° |
| N26 | C36 | C35 | 111.4° | 109.3° |
| N26 | C36 | H361 | 109.0° | 109.5° |
| N26 | C36 | H362 | 109.0° | 109.6° |
| C28 | C27 | C29 | 114.2° | 109.5° |
| C28 | C27 | H271 | 107.4° | 109.5° |
| C27 | C28 | H283 | 109.5° | 109.4° |
| C27 | C28 | H282 | 109.5° | 109.5° |
| C27 | C28 | H281 | 109.4° | 109.5° |
| C27 | C29 | N30 | 109.0° | 109.4° |
| C29 | C27 | H271 | 107.5° | 109.5° |
| C27 | C29 | H292 | 109.6° | 109.5° |
| C27 | C29 | H291 | 109.6° | 109.5° |
| C36 | C35 | N30 | 112.0° | 109.4° |
| C36 | C35 | H352 | 108.8° | 109.5° |
| C36 | C35 | H351 | 108.8° | 109.5° |
| C35 | C36 | H361 | 109.0° | 109.5° |
| C35 | C36 | H362 | 109.0° | 109.5° |
| C29 | N30 | C35 | 110.5° | 110.9° |
| C29 | N30 | C31 | 103.0° | 111.0° |
| N30 | C29 | H292 | 109.6° | 109.4° |
| N30 | C29 | H291 | 109.6° | 109.5° |
| C35 | N30 | C31 | 104.9° | 111.0° |
| N30 | C35 | H352 | 108.8° | 109.5° |
| N30 | C35 | H351 | 108.9° | 109.5° |
| N30 | C31 | C32 | 116.0° | 113.8° |
| N30 | C31 | C34 | 114.4° | 113.8° |
| N30 | C31 | H311 | 113.0° | 113.1° |
| C32 | C31 | C34 | 85.8° | 85.8° |
| C31 | C32 | O33 | 89.9° | 85.5° |
| C32 | C31 | H311 | 112.9° | 113.9° |
| C31 | C32 | H321 | 114.1° | 113.8° |
| C31 | C32 | H322 | 114.1° | 113.9° |
| C31 | C34 | O33 | 91.1° | 85.5° |
| C34 | C31 | H311 | 111.9° | 113.8° |
| C31 | C34 | H341 | 113.9° | 113.9° |
| C31 | C34 | H342 | 113.9° | 113.8° |
| C32 | O33 | C34 | 92.5° | 93.3° |
| O33 | C32 | H321 | 114.1° | 113.8° |
| O33 | C32 | H322 | 114.1° | 113.9° |
| O33 | C34 | H341 | 113.8° | 113.9° |
| O33 | C34 | H342 | 113.8° | 113.8° |
| H022 | C02 | H021 | 109.4° | 109.5° |
| H022 | C02 | H023 | 109.4° | 109.5° |
| H021 | C02 | H023 | 109.5° | 109.5° |
| H202 | C20 | H201 | 109.5° | 109.5° |
| H283 | C28 | H282 | 109.4° | 109.5° |
| H283 | C28 | H281 | 109.5° | 109.4° |
| H282 | C28 | H281 | 109.5° | 109.5° |
| H292 | C29 | H291 | 109.5° | 109.5° |
| H321 | C32 | H322 | 109.5° | 113.1° |
| H341 | C34 | H342 | 109.5° | 113.1° |
| H352 | C35 | H351 | 109.5° | 109.5° |
| H361 | C36 | H362 | 109.5° | 109.4° |
| H162 | N16 | H161 | 120.0° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C14 | O15 | C13 | 178.1° | 180.0° |
| N16 | C14 | C13 | C11 | 5.7° | 180.0° |
| N16 | C14 | C13 | C17 | 176.2° | 0.2° |
| C14 | N16 | H162 | H161 | 180.0° | 180.0° |
| O12 | C11 | C13 | C14 | 0.2° | 0.2° |
| O12 | C11 | C13 | C09 | 179.6° | 179.8° |
| O12 | C11 | C09 | CL10 | 1.1° | 0.2° |
| O12 | C11 | C13 | C17 | 177.9° | 180.0° |
| O12 | C11 | C09 | C08 | 179.9° | 179.7° |
| O15 | C14 | C13 | C11 | 176.1° | 0.0° |
| O15 | C14 | C13 | C17 | 2.0° | 179.8° |
| O15 | C14 | N16 | H162 | 0.0° | 0.0° |
| O15 | C14 | N16 | H161 | 180.0° | 180.0° |
| C14 | C13 | C11 | C17 | 178.1° | 179.8° |
| C14 | C13 | C11 | C09 | 179.8° | 180.0° |
| C14 | C13 | C17 | C07 | 179.1° | 179.7° |
| C14 | C13 | C17 | H171 | 0.9° | 0.2° |
| C13 | C14 | N16 | H162 | 178.2° | 180.0° |
| C13 | C14 | N16 | H161 | 1.8° | 0.0° |
| C13 | C11 | C09 | CL10 | 179.2° | 180.0° |
| C13 | C11 | C09 | C08 | 0.5° | 0.1° |
| C11 | C13 | C17 | C07 | 2.7° | 0.5° |
| C11 | C13 | C17 | H171 | 177.3° | 180.0° |
| C13 | C11 | O12 | H121 | 180.0° | 90.0° |
| C11 | C09 | CL10 | C08 | 178.9° | 179.9° |
| C09 | C11 | C13 | C17 | 1.7° | 0.2° |
| C11 | C09 | C08 | C07 | 1.9° | 0.1° |
| C11 | C09 | C08 | H081 | 178.1° | 180.0° |
| C09 | C11 | O12 | H121 | 0.4° | 89.7° |
| CL10 | C09 | C08 | C07 | 179.2° | 180.0° |
| CL10 | C09 | C08 | H081 | 0.8° | 0.1° |
| C13 | C17 | C07 | H171 | 180.0° | 179.5° |
| C13 | C17 | C07 | C08 | 1.3° | 0.4° |
| C13 | C17 | C07 | C06 | 178.8° | 179.8° |
| C09 | C08 | C07 | C17 | 1.0° | 0.1° |
| C09 | C08 | C07 | H081 | 180.0° | 179.9° |
| C09 | C08 | C07 | C06 | 176.7° | 179.9° |
| C17 | C07 | C08 | C06 | 177.7° | 179.8° |
| C17 | C07 | C06 | C18 | 152.4° | 50.2° |
| C17 | C07 | C06 | C05 | 25.8° | 129.7° |
| C17 | C07 | C08 | H081 | 179.0° | 179.8° |
| C08 | C07 | C06 | C18 | 25.0° | 130.0° |
| C08 | C07 | C06 | C05 | 156.9° | 50.1° |
| C08 | C07 | C17 | H171 | 178.7° | 180.0° |
| C07 | C06 | C18 | C05 | 178.7° | 180.0° |
| C07 | C06 | C18 | N19 | 179.4° | 179.9° |
| C07 | C06 | C05 | C03 | 4.9° | 0.1° |
| C07 | C06 | C05 | C42 | 179.8° | 180.0° |
| C06 | C07 | C08 | H081 | 3.3° | 0.0° |
| C06 | C07 | C17 | H171 | 1.3° | 0.2° |
| C07 | C06 | C18 | H181 | 0.6° | 0.1° |
| C06 | C18 | N19 | H181 | 180.0° | 180.0° |
| C18 | C06 | C05 | C03 | 176.7° | 180.0° |
| C18 | C06 | C05 | C42 | 1.8° | 0.0° |
| C06 | C18 | N19 | C20 | 179.5° | 180.0° |
| C06 | C18 | N19 | C42 | 0.6° | 0.0° |
| C05 | C06 | C18 | N19 | 0.7° | 0.0° |
| C06 | C05 | C03 | O04 | 10.5° | 0.3° |
| C06 | C05 | C03 | C42 | 174.7° | 180.0° |
| C06 | C05 | C42 | N19 | 2.2° | 0.0° |
| C06 | C05 | C03 | N01 | 176.8° | 180.0° |
| C06 | C05 | C42 | N43 | 177.7° | 180.0° |
| C05 | C06 | C18 | H181 | 179.3° | 180.0° |
| C18 | N19 | C42 | C05 | 1.7° | 0.0° |
| C18 | N19 | C20 | C42 | 178.7° | 180.0° |
| C18 | N19 | C20 | C21 | 80.1° | 95.0° |
| C18 | N19 | C42 | N43 | 178.2° | 179.9° |
| C18 | N19 | C20 | H202 | 159.0° | 145.0° |
| C18 | N19 | C20 | H201 | 40.9° | 25.0° |
| O04 | C03 | C05 | N01 | 172.6° | 179.7° |
| O04 | C03 | C05 | C42 | 174.8° | 179.7° |
| O04 | C03 | N01 | C02 | 3.5° | 0.2° |
| O04 | C03 | N01 | C44 | 173.3° | 179.7° |
| C03 | C05 | C42 | N19 | 178.1° | 180.0° |
| C03 | C05 | C42 | N43 | 1.9° | 0.0° |
| C05 | C03 | N01 | C02 | 176.7° | 180.0° |
| C05 | C03 | N01 | C44 | 0.1° | 0.0° |
| C05 | C42 | N19 | C20 | 179.4° | 180.0° |
| C05 | C42 | N19 | N43 | 179.9° | 180.0° |
| C42 | C05 | C03 | N01 | 2.2° | 0.0° |
| C05 | C42 | N43 | C44 | 0.8° | 0.0° |
| N19 | C20 | C21 | H202 | 120.9° | 120.0° |
| N19 | C20 | C21 | H201 | 120.9° | 120.0° |
| C20 | N19 | C42 | N43 | 0.7° | 0.0° |
| N19 | C20 | C21 | N22 | 145.4° | 180.0° |
| N19 | C20 | C21 | O41 | 37.6° | 0.0° |
| C20 | N19 | C18 | H181 | 0.5° | 0.0° |
| N19 | C20 | H202 | H201 | 117.0° | 120.0° |
| C42 | N19 | C20 | C21 | 98.7° | 85.0° |
| N19 | C42 | N43 | C44 | 179.3° | 180.0° |
| C42 | N19 | C18 | H181 | 179.4° | 180.0° |
| C42 | N19 | C20 | H202 | 22.3° | 35.0° |
| C42 | N19 | C20 | H201 | 140.4° | 155.0° |
| C03 | N01 | C02 | C44 | 176.9° | 179.9° |
| C03 | N01 | C44 | N43 | 2.8° | 0.0° |
| C03 | N01 | C44 | C45 | 179.3° | 179.9° |
| C03 | N01 | C02 | H022 | 180.0° | 0.0° |
| C03 | N01 | C02 | H021 | 60.0° | 120.0° |
| C03 | N01 | C02 | H023 | 60.0° | 120.0° |
| C20 | C21 | N22 | O41 | 176.9° | 180.0° |
| C20 | C21 | N22 | C23 | 169.9° | 174.4° |
| C21 | C20 | H202 | H201 | 117.1° | 120.0° |
| C20 | C21 | N22 | H221 | 10.1° | 5.6° |
| CL40 | C39 | C23 | N22 | 3.3° | 0.2° |
| CL40 | C39 | C23 | C38 | 177.9° | 179.9° |
| CL40 | C39 | C23 | C24 | 177.4° | 180.0° |
| CL40 | C39 | C38 | N37 | 177.6° | 179.9° |
| CL40 | C39 | C38 | H381 | 2.4° | 0.0° |
| C42 | N43 | C44 | N01 | 3.2° | 0.0° |
| C42 | N43 | C44 | C45 | 178.8° | 179.9° |
| C02 | N01 | C44 | N43 | 179.5° | 180.0° |
| C02 | N01 | C44 | C45 | 2.6° | 0.0° |
| N01 | C02 | H022 | H021 | 120.0° | 119.9° |
| N01 | C02 | H022 | H023 | 120.0° | 120.0° |
| N01 | C02 | H021 | H023 | 120.0° | 120.0° |
| N01 | C44 | N43 | C45 | 177.9° | 180.0° |
| N01 | C44 | C45 | F47 | 59.2° | 60.0° |
| N01 | C44 | C45 | F46 | 177.5° | 180.0° |
| N01 | C44 | C45 | F48 | 65.0° | 60.0° |
| C44 | N01 | C02 | H022 | 3.2° | 180.0° |
| C44 | N01 | C02 | H021 | 123.2° | 60.1° |
| C44 | N01 | C02 | H023 | 116.8° | 59.9° |
| C21 | N22 | C23 | H221 | 180.0° | 180.0° |
| C21 | N22 | C23 | C39 | 169.0° | 155.2° |
| C21 | N22 | C23 | C24 | 17.3° | 24.6° |
| N22 | C21 | C20 | H202 | 93.7° | 60.0° |
| N22 | C21 | C20 | H201 | 24.4° | 60.0° |
| C23 | N22 | C21 | O41 | 7.0° | 5.6° |
| N22 | C23 | C39 | C24 | 174.1° | 179.8° |
| N22 | C23 | C39 | C38 | 174.6° | 179.7° |
| N22 | C23 | C24 | C25 | 175.0° | 179.7° |
| N22 | C23 | C24 | H241 | 5.0° | 0.3° |
| O41 | C21 | C20 | H202 | 83.4° | 120.0° |
| O41 | C21 | C20 | H201 | 158.5° | 120.0° |
| O41 | C21 | N22 | H221 | 173.0° | 174.4° |
| N43 | C44 | C45 | F47 | 122.7° | 120.0° |
| N43 | C44 | C45 | F46 | 0.6° | 0.0° |
| N43 | C44 | C45 | F48 | 113.0° | 120.0° |
| C44 | C45 | F47 | F46 | 128.2° | 120.0° |
| C44 | C45 | F47 | F48 | 126.7° | 120.0° |
| C44 | C45 | F46 | F48 | 119.0° | 119.9° |
| C23 | C39 | C38 | N37 | 0.4° | 0.0° |
| C39 | C23 | C24 | C25 | 1.0° | 0.0° |
| C39 | C23 | C24 | H241 | 179.0° | 180.0° |
| C23 | C39 | C38 | H381 | 179.6° | 180.0° |
| C39 | C23 | N22 | H221 | 11.0° | 24.8° |
| C38 | C39 | C23 | C24 | 0.5° | 0.0° |
| C39 | C38 | N37 | H381 | 180.0° | 179.9° |
| C39 | C38 | N37 | C25 | 0.8° | 0.1° |
| C23 | C24 | C25 | H241 | 180.0° | 180.0° |
| C23 | C24 | C25 | N37 | 1.5° | 0.1° |
| C23 | C24 | C25 | N26 | 179.1° | 179.9° |
| C24 | C23 | N22 | H221 | 162.7° | 155.4° |
| F47 | C45 | F46 | F48 | 109.7° | 120.0° |
| C38 | N37 | C25 | C24 | 1.4° | 0.1° |
| C38 | N37 | C25 | N26 | 179.2° | 180.0° |
| C24 | C25 | N37 | N26 | 179.4° | 179.9° |
| C24 | C25 | N26 | C27 | 4.4° | 180.0° |
| C24 | C25 | N26 | C36 | 157.9° | 56.3° |
| N37 | C25 | N26 | C27 | 176.2° | 0.1° |
| N37 | C25 | N26 | C36 | 21.5° | 123.8° |
| N37 | C25 | C24 | H241 | 178.5° | 180.0° |
| C25 | N37 | C38 | H381 | 179.2° | 180.0° |
| C25 | N26 | C27 | C36 | 163.5° | 123.8° |
| C25 | N26 | C27 | C28 | 80.4° | 63.2° |
| C25 | N26 | C27 | C29 | 153.3° | 176.9° |
| C25 | N26 | C36 | C35 | 150.8° | 176.9° |
| N26 | C25 | C24 | H241 | 0.9° | 0.1° |
| C25 | N26 | C27 | H271 | 35.2° | 56.9° |
| C25 | N26 | C36 | H361 | 88.9° | 56.9° |
| C25 | N26 | C36 | H362 | 30.5° | 63.1° |
| N26 | C27 | C28 | C29 | 124.9° | 119.8° |
| N26 | C27 | C28 | H271 | 115.9° | 120.1° |
| N26 | C27 | C29 | H271 | 118.4° | 120.0° |
| C27 | N26 | C36 | C35 | 45.4° | 59.4° |
| N26 | C27 | C29 | N30 | 50.0° | 58.4° |
| N26 | C27 | C28 | H283 | 180.0° | 179.8° |
| N26 | C27 | C28 | H282 | 60.0° | 60.2° |
| N26 | C27 | C28 | H281 | 60.0° | 59.9° |
| N26 | C27 | C29 | H292 | 70.0° | 61.6° |
| N26 | C27 | C29 | H291 | 169.9° | 178.4° |
| C27 | N26 | C36 | H361 | 74.9° | 179.3° |
| C27 | N26 | C36 | H362 | 165.7° | 60.7° |
| C36 | N26 | C27 | C28 | 83.1° | 60.6° |
| C36 | N26 | C27 | C29 | 43.2° | 59.3° |
| N26 | C36 | C35 | H361 | 120.3° | 119.9° |
| N26 | C36 | C35 | H362 | 120.3° | 120.1° |
| N26 | C36 | C35 | N30 | 56.7° | 58.4° |
| C36 | N26 | C27 | H271 | 161.3° | 179.4° |
| N26 | C36 | C35 | H352 | 177.1° | 178.4° |
| N26 | C36 | C35 | H351 | 63.7° | 61.6° |
| N26 | C36 | H361 | H362 | 119.2° | 120.1° |
| C28 | C27 | C29 | H271 | 119.1° | 120.0° |
| C28 | C27 | C29 | N30 | 72.5° | 61.6° |
| C27 | C28 | H283 | H282 | 120.0° | 120.0° |
| C27 | C28 | H283 | H281 | 120.0° | 120.0° |
| C27 | C28 | H282 | H281 | 120.0° | 120.0° |
| C28 | C27 | C29 | H292 | 167.5° | 178.5° |
| C28 | C27 | C29 | H291 | 47.4° | 58.5° |
| C27 | C29 | N30 | H292 | 119.9° | 120.0° |
| C27 | C29 | N30 | H291 | 119.9° | 120.0° |
| C27 | C29 | N30 | C35 | 61.5° | 59.3° |
| C27 | C29 | N30 | C31 | 173.1° | 176.8° |
| C29 | C27 | C28 | H283 | 55.1° | 60.0° |
| C29 | C27 | C28 | H282 | 175.1° | 180.0° |
| C29 | C27 | C28 | H281 | 64.9° | 60.0° |
| C27 | C29 | H292 | H291 | 120.2° | 120.1° |
| C36 | C35 | N30 | C29 | 66.3° | 59.3° |
| C36 | C35 | N30 | H352 | 120.4° | 119.9° |
| C36 | C35 | N30 | H351 | 120.4° | 120.0° |
| C36 | C35 | N30 | C31 | 176.6° | 176.8° |
| C36 | C35 | H352 | H351 | 118.8° | 120.0° |
| C35 | C36 | H361 | H362 | 119.1° | 120.0° |
| C29 | N30 | C35 | C31 | 110.3° | 123.9° |
| C29 | N30 | C31 | C32 | 70.2° | 65.1° |
| C29 | N30 | C31 | C34 | 167.8° | 161.2° |
| N30 | C29 | C27 | H271 | 168.4° | 178.4° |
| N30 | C29 | H292 | H291 | 120.2° | 120.0° |
| C29 | N30 | C31 | H311 | 62.6° | 66.9° |
| C29 | N30 | C35 | H352 | 173.3° | 179.2° |
| C29 | N30 | C35 | H351 | 54.0° | 60.7° |
| C35 | N30 | C31 | C32 | 174.2° | 171.1° |
| C35 | N30 | C31 | C34 | 76.6° | 75.0° |
| C35 | N30 | C29 | H292 | 58.4° | 60.7° |
| C35 | N30 | C29 | H291 | 178.6° | 179.3° |
| C35 | N30 | C31 | H311 | 53.1° | 56.9° |
| N30 | C35 | H352 | H351 | 118.9° | 120.1° |
| N30 | C35 | C36 | H361 | 63.6° | 178.4° |
| N30 | C35 | C36 | H362 | 177.0° | 61.6° |
| N30 | C31 | C32 | C34 | 115.2° | 114.2° |
| N30 | C31 | C32 | H311 | 132.8° | 131.6° |
| N30 | C31 | C34 | H311 | 130.2° | 131.6° |
| N30 | C31 | C32 | O33 | 121.1° | 136.8° |
| N30 | C31 | C34 | O33 | 123.1° | 136.8° |
| C31 | N30 | C29 | H292 | 53.2° | 63.2° |
| C31 | N30 | C29 | H291 | 67.0° | 56.8° |
| N30 | C31 | C32 | H321 | 122.3° | 109.1° |
| N30 | C31 | C32 | H322 | 4.6° | 22.6° |
| N30 | C31 | C34 | H341 | 6.4° | 22.6° |
| N30 | C31 | C34 | H342 | 120.1° | 109.1° |
| C31 | N30 | C35 | H352 | 63.0° | 56.9° |
| C31 | N30 | C35 | H351 | 56.3° | 63.2° |
| C32 | C31 | C34 | H311 | 113.0° | 114.3° |
| C31 | C32 | O33 | H321 | 116.6° | 114.1° |
| C31 | C32 | O33 | H322 | 116.5° | 114.2° |
| C32 | C31 | C34 | O33 | 6.4° | 22.6° |
| C31 | C32 | H321 | H322 | 129.3° | 132.1° |
| C32 | C31 | C34 | H341 | 110.4° | 91.6° |
| C32 | C31 | C34 | H342 | 123.2° | 136.7° |
| C31 | C34 | O33 | H341 | 116.8° | 114.2° |
| C31 | C34 | O33 | H342 | 116.8° | 114.1° |
| C34 | C31 | C32 | H321 | 122.5° | 136.8° |
| C34 | C31 | C32 | H322 | 110.6° | 91.6° |
| C31 | C34 | H341 | H342 | 128.7° | 132.0° |
| O33 | C32 | C31 | H311 | 106.1° | 91.6° |
| O33 | C32 | H321 | H322 | 129.3° | 132.1° |
| C32 | O33 | C34 | H341 | 110.4° | 90.0° |
| C32 | O33 | C34 | H342 | 123.2° | 138.4° |
| O33 | C34 | C31 | H311 | 106.6° | 91.6° |
| C34 | O33 | C32 | H321 | 123.3° | 138.3° |
| C34 | O33 | C32 | H322 | 109.8° | 89.9° |
| O33 | C34 | H341 | H342 | 128.7° | 132.0° |
| H022 | C02 | H021 | H023 | 119.9° | 120.1° |
| H271 | C27 | C28 | H283 | 64.1° | 60.0° |
| H271 | C27 | C28 | H282 | 55.9° | 59.9° |
| H271 | C27 | C28 | H281 | 175.9° | NaN° |
| H271 | C27 | C29 | H292 | 48.4° | 58.5° |
| H271 | C27 | C29 | H291 | 71.7° | 61.6° |
| H283 | C28 | H282 | H281 | 120.0° | 120.0° |
| H311 | C31 | C32 | H321 | 10.5° | 22.5° |
| H311 | C31 | C32 | H322 | 137.4° | 154.2° |
| H311 | C31 | C34 | H341 | 136.6° | 154.1° |
| H311 | C31 | C34 | H342 | 10.1° | 22.5° |
| H352 | C35 | C36 | H361 | 56.8° | 61.6° |
| H352 | C35 | C36 | H362 | 62.6° | 58.4° |
| H351 | C35 | C36 | H361 | 176.0° | 58.3° |
| H351 | C35 | C36 | H362 | 56.6° | 178.3° |
