A1CKP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C01 | C02 | doub | 1.39Å | 1.38Å | Aromatic |
| C01 | C06 | sing | 1.41Å | 1.41Å | Aromatic |
| C01 | C22 | sing | 1.48Å | 1.44Å | |
| C02 | N03 | sing | 1.32Å | 1.35Å | Aromatic |
| N03 | C04 | doub | 1.33Å | 1.35Å | Aromatic |
| C04 | C05 | sing | 1.40Å | 1.39Å | Aromatic |
| C04 | C07 | sing | 1.47Å | 1.46Å | |
| C05 | C06 | doub | 1.39Å | 1.41Å | Aromatic |
| C06 | N18 | sing | 1.39Å | 1.38Å | |
| C07 | C08 | doub | 1.38Å | 1.38Å | Aromatic |
| C07 | N11 | sing | 1.37Å | 1.38Å | Aromatic |
| C08 | C09 | sing | 1.39Å | 1.41Å | Aromatic |
| C09 | C10 | doub | 1.39Å | 1.37Å | Aromatic |
| C10 | N11 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | C12 | sing | 1.40Å | 1.40Å | Aromatic |
| N11 | N15 | sing | 1.40Å | 1.38Å | Aromatic |
| C12 | C13 | doub | 1.39Å | 1.33Å | Aromatic |
| C13 | C14 | sing | 1.42Å | 1.48Å | Aromatic |
| C13 | C16 | sing | 1.43Å | 1.42Å | |
| C14 | N15 | doub | 1.30Å | 1.28Å | Aromatic |
| C16 | N17 | trip | 1.14Å | 1.15Å | |
| N18 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C20 | sing | 1.53Å | 1.53Å | |
| C19 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | N23 | sing | 1.35Å | 1.37Å | Aromatic |
| C22 | C26 | doub | 1.37Å | 1.38Å | Aromatic |
| N23 | N24 | doub | 1.29Å | 1.33Å | Aromatic |
| N24 | N25 | sing | 1.29Å | 1.32Å | Aromatic |
| N25 | C26 | sing | 1.35Å | 1.36Å | Aromatic |
| N25 | C27 | sing | 1.47Å | 1.44Å | |
| C27 | C28 | sing | 1.53Å | 1.52Å | |
| C27 | C32 | sing | 1.53Å | 1.53Å | |
| C28 | C29 | sing | 1.53Å | 1.52Å | |
| C29 | O30 | sing | 1.43Å | 1.42Å | |
| O30 | C31 | sing | 1.43Å | 1.42Å | |
| C31 | C32 | sing | 1.53Å | 1.52Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C20 | H203 | sing | 1.09Å | 1.10Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C21 | H213 | sing | 1.09Å | 1.10Å | |
| C26 | H261 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| C02 | H021 | sing | 1.08Å | 1.08Å | |
| C05 | H051 | sing | 1.08Å | 1.08Å | |
| C08 | H081 | sing | 1.08Å | 1.08Å | |
| C09 | H091 | sing | 1.08Å | 1.08Å | |
| C12 | H121 | sing | 1.08Å | 1.08Å | |
| C14 | H141 | sing | 1.08Å | 1.08Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| N18 | H181 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C02 | C01 | C06 | 116.3° | 119.1° |
| C02 | C01 | C22 | 120.9° | 120.4° |
| C01 | C02 | N03 | 125.1° | 120.8° |
| C01 | C02 | H021 | 117.5° | 119.6° |
| C06 | C01 | C22 | 122.8° | 120.4° |
| C01 | C06 | C05 | 119.5° | 118.3° |
| C01 | C06 | N18 | 121.9° | 120.9° |
| C01 | C22 | N23 | 124.9° | 126.9° |
| C01 | C22 | C26 | 126.9° | 126.9° |
| C02 | N03 | C04 | 118.0° | 121.9° |
| N03 | C02 | H021 | 117.4° | 119.6° |
| N03 | C04 | C05 | 122.3° | 120.7° |
| N03 | C04 | C07 | 112.5° | 119.6° |
| C05 | C04 | C07 | 125.1° | 119.7° |
| C04 | C05 | C06 | 118.7° | 119.1° |
| C04 | C05 | H051 | 120.6° | 120.4° |
| C04 | C07 | C08 | 126.2° | 125.8° |
| C04 | C07 | N11 | 126.9° | 125.7° |
| C05 | C06 | N18 | 118.6° | 120.9° |
| C06 | C05 | H051 | 120.6° | 120.4° |
| C06 | N18 | C19 | 117.4° | 120.0° |
| C06 | N18 | H181 | 107.5° | 120.0° |
| C08 | C07 | N11 | 106.7° | 108.5° |
| C07 | C08 | C09 | 109.5° | 107.8° |
| C07 | C08 | H081 | 125.2° | 126.1° |
| C07 | N11 | C10 | 108.4° | 108.3° |
| C07 | N11 | N15 | 125.3° | 131.8° |
| C08 | C09 | C10 | 105.6° | 107.3° |
| C09 | C08 | H081 | 125.2° | 126.1° |
| C08 | C09 | H091 | 127.2° | 126.3° |
| C09 | C10 | N11 | 109.7° | 108.0° |
| C09 | C10 | C12 | 132.1° | 132.4° |
| C10 | C09 | H091 | 127.2° | 126.4° |
| N11 | C10 | C12 | 118.2° | 119.6° |
| C10 | N11 | N15 | 126.3° | 119.9° |
| C10 | C12 | C13 | 118.9° | 118.8° |
| C10 | C12 | H121 | 120.5° | 120.6° |
| N11 | N15 | C14 | 112.6° | 121.2° |
| C12 | C13 | C14 | 117.2° | 119.6° |
| C12 | C13 | C16 | 121.2° | 120.2° |
| C13 | C12 | H121 | 120.5° | 120.5° |
| C14 | C13 | C16 | 121.6° | 120.2° |
| C13 | C14 | N15 | 126.7° | 120.9° |
| C13 | C14 | H141 | 116.6° | 119.5° |
| C13 | C16 | N17 | 177.8° | 179.9° |
| N15 | C14 | H141 | 116.7° | 119.6° |
| N18 | C19 | C20 | 106.0° | 109.4° |
| N18 | C19 | C21 | 108.1° | 109.5° |
| N18 | C19 | H191 | 111.2° | 109.4° |
| C19 | N18 | H181 | 107.4° | 120.0° |
| C20 | C19 | C21 | 110.9° | 109.5° |
| C19 | C20 | H201 | 109.5° | 109.4° |
| C19 | C20 | H202 | 109.5° | 109.5° |
| C19 | C20 | H203 | 109.5° | 109.5° |
| C20 | C19 | H191 | 110.3° | 109.5° |
| C19 | C21 | H211 | 109.5° | 109.5° |
| C19 | C21 | H212 | 109.5° | 109.5° |
| C19 | C21 | H213 | 109.5° | 109.4° |
| C21 | C19 | H191 | 110.2° | 109.5° |
| N23 | C22 | C26 | 108.2° | 106.2° |
| C22 | N23 | N24 | 108.3° | 108.8° |
| C22 | C26 | N25 | 104.1° | 106.1° |
| C22 | C26 | H261 | 127.9° | 127.0° |
| N23 | N24 | N25 | 107.5° | 110.5° |
| N24 | N25 | C26 | 111.8° | 108.5° |
| N24 | N25 | C27 | 118.1° | 125.7° |
| C26 | N25 | C27 | 130.1° | 125.8° |
| N25 | C26 | H261 | 127.9° | 127.0° |
| N25 | C27 | C28 | 111.0° | 109.5° |
| N25 | C27 | C32 | 111.1° | 109.5° |
| N25 | C27 | H271 | 109.3° | 109.6° |
| C28 | C27 | C32 | 109.0° | 109.0° |
| C27 | C28 | C29 | 109.9° | 109.2° |
| C27 | C28 | H281 | 109.4° | 109.5° |
| C27 | C28 | H282 | 109.4° | 109.6° |
| C28 | C27 | H271 | 108.2° | 109.6° |
| C27 | C32 | C31 | 108.5° | 109.1° |
| C32 | C27 | H271 | 108.1° | 109.6° |
| C27 | C32 | H321 | 109.7° | 109.5° |
| C27 | C32 | H322 | 109.7° | 109.5° |
| C28 | C29 | O30 | 109.6° | 109.4° |
| C29 | C28 | H281 | 109.3° | 109.6° |
| C29 | C28 | H282 | 109.3° | 109.5° |
| C28 | C29 | H291 | 109.5° | 109.5° |
| C28 | C29 | H292 | 109.5° | 109.5° |
| C29 | O30 | C31 | 109.9° | 114.1° |
| O30 | C29 | H291 | 109.4° | 109.5° |
| O30 | C29 | H292 | 109.4° | 109.4° |
| O30 | C31 | C32 | 105.1° | 109.4° |
| O30 | C31 | H311 | 110.6° | 109.5° |
| O30 | C31 | H312 | 110.5° | 109.5° |
| C32 | C31 | H311 | 110.6° | 109.5° |
| C32 | C31 | H312 | 110.6° | 109.5° |
| C31 | C32 | H321 | 109.7° | 109.5° |
| C31 | C32 | H322 | 109.7° | 109.5° |
| H201 | C20 | H202 | 109.5° | 109.5° |
| H201 | C20 | H203 | 109.4° | 109.5° |
| H202 | C20 | H203 | 109.4° | 109.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
| H211 | C21 | H213 | 109.4° | 109.4° |
| H212 | C21 | H213 | 109.5° | 109.5° |
| H281 | C28 | H282 | 109.5° | 109.5° |
| H291 | C29 | H292 | 109.5° | 109.5° |
| H311 | C31 | H312 | 109.4° | 109.5° |
| H321 | C32 | H322 | 109.5° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C02 | C01 | C06 | C22 | 179.2° | 179.7° |
| C01 | C02 | N03 | H021 | 180.0° | 180.0° |
| C01 | C02 | N03 | C04 | 2.0° | 0.0° |
| C02 | C01 | C06 | C05 | 0.5° | 0.0° |
| C02 | C01 | C06 | N18 | 180.0° | 180.0° |
| C02 | C01 | C22 | N23 | 164.6° | 180.0° |
| C02 | C01 | C22 | C26 | 19.6° | 0.2° |
| C06 | C01 | C02 | N03 | 1.4° | 0.0° |
| C01 | C06 | C05 | C04 | 0.4° | 0.0° |
| C01 | C06 | C05 | N18 | 179.4° | 180.0° |
| C01 | C06 | N18 | C19 | 160.4° | 179.9° |
| C06 | C01 | C22 | N23 | 16.2° | 0.3° |
| C06 | C01 | C22 | C26 | 159.7° | 179.4° |
| C06 | C01 | C02 | H021 | 178.6° | 180.0° |
| C01 | C06 | C05 | H051 | 179.5° | 180.0° |
| C01 | C06 | N18 | H181 | 78.5° | 0.0° |
| C22 | C01 | C02 | N03 | 177.9° | 179.7° |
| C22 | C01 | C06 | C05 | 178.7° | 179.7° |
| C22 | C01 | C06 | N18 | 0.7° | 0.3° |
| C01 | C22 | N23 | C26 | 176.5° | 179.8° |
| C01 | C22 | N23 | N24 | 177.7° | 179.7° |
| C01 | C22 | C26 | N25 | 177.4° | 179.8° |
| C01 | C22 | C26 | H261 | 2.6° | 0.1° |
| C22 | C01 | C02 | H021 | 2.1° | 0.3° |
| C02 | N03 | C04 | C05 | 1.9° | 0.0° |
| C02 | N03 | C04 | C07 | 178.6° | 180.0° |
| N03 | C04 | C05 | C07 | 176.4° | 179.9° |
| N03 | C04 | C05 | C06 | 1.1° | 0.0° |
| N03 | C04 | C07 | C08 | 11.2° | 0.0° |
| N03 | C04 | C07 | N11 | 174.9° | 179.6° |
| C04 | N03 | C02 | H021 | 178.0° | 180.0° |
| N03 | C04 | C05 | H051 | 178.9° | 180.0° |
| C04 | C05 | C06 | H051 | 180.0° | 180.0° |
| C04 | C05 | C06 | N18 | 179.9° | 180.0° |
| C05 | C04 | C07 | C08 | 165.5° | 180.0° |
| C05 | C04 | C07 | N11 | 8.4° | 0.4° |
| C07 | C04 | C05 | C06 | 177.5° | 180.0° |
| C04 | C07 | C08 | N11 | 174.9° | 179.6° |
| C04 | C07 | C08 | C09 | 176.8° | 180.0° |
| C04 | C07 | N11 | C10 | 176.9° | 180.0° |
| C04 | C07 | N11 | N15 | 3.0° | 0.0° |
| C07 | C04 | C05 | H051 | 2.5° | 0.0° |
| C04 | C07 | C08 | H081 | 3.2° | 0.0° |
| C05 | C06 | N18 | C19 | 19.0° | 0.1° |
| C05 | C06 | N18 | H181 | 102.1° | 180.0° |
| C06 | N18 | C19 | H181 | 121.1° | 179.9° |
| C06 | N18 | C19 | C20 | 102.6° | 85.0° |
| C06 | N18 | C19 | C21 | 138.4° | 155.0° |
| N18 | C06 | C05 | H051 | 0.1° | 0.0° |
| C06 | N18 | C19 | H191 | 17.3° | 34.9° |
| C07 | C08 | C09 | H081 | 180.0° | 180.0° |
| C07 | C08 | C09 | C10 | 1.0° | 0.2° |
| C08 | C07 | N11 | C10 | 2.0° | 0.4° |
| C08 | C07 | N11 | N15 | 177.9° | 179.7° |
| C07 | C08 | C09 | H091 | 179.0° | 179.8° |
| N11 | C07 | C08 | C09 | 1.8° | 0.4° |
| C07 | N11 | C10 | C09 | 1.4° | 0.3° |
| C07 | N11 | C10 | N15 | 179.9° | 179.9° |
| C07 | N11 | C10 | C12 | 179.9° | 180.0° |
| C07 | N11 | N15 | C14 | 178.3° | 180.0° |
| N11 | C07 | C08 | H081 | 178.1° | 179.6° |
| C08 | C09 | C10 | H091 | 180.0° | 180.0° |
| C08 | C09 | C10 | N11 | 0.2° | 0.0° |
| C08 | C09 | C10 | C12 | 178.7° | 179.7° |
| C09 | C10 | N11 | C12 | 178.7° | 179.7° |
| C09 | C10 | N11 | N15 | 178.5° | 179.8° |
| C09 | C10 | C12 | C13 | 179.7° | 179.7° |
| C10 | C09 | C08 | H081 | 179.0° | 179.8° |
| C09 | C10 | C12 | H121 | 0.3° | 0.4° |
| N11 | C10 | C12 | C13 | 1.3° | 0.0° |
| C10 | N11 | N15 | C14 | 1.9° | 0.1° |
| N11 | C10 | C09 | H091 | 179.8° | 180.0° |
| N11 | C10 | C12 | H121 | 178.7° | 180.0° |
| C12 | C10 | N11 | N15 | 0.3° | 0.1° |
| C10 | C12 | C13 | H121 | 180.0° | 180.0° |
| C10 | C12 | C13 | C14 | 1.2° | 0.0° |
| C10 | C12 | C13 | C16 | 179.5° | 179.9° |
| C12 | C10 | C09 | H091 | 1.3° | 0.3° |
| N11 | N15 | C14 | C13 | 2.0° | 0.0° |
| N11 | N15 | C14 | H141 | 178.0° | 179.9° |
| C12 | C13 | C14 | C16 | 179.2° | 179.9° |
| C12 | C13 | C14 | N15 | 0.6° | 0.0° |
| C12 | C13 | C16 | N17 | 10.5° | 140.8° |
| C12 | C13 | C14 | H141 | 179.4° | 179.9° |
| C13 | C14 | N15 | H141 | 180.0° | 179.9° |
| C14 | C13 | C16 | N17 | 170.3° | 39.3° |
| C14 | C13 | C12 | H121 | 178.8° | 180.0° |
| C16 | C13 | C14 | N15 | 178.7° | 179.9° |
| C16 | C13 | C12 | H121 | 0.5° | 0.0° |
| C16 | C13 | C14 | H141 | 1.3° | 0.0° |
| N18 | C19 | C20 | C21 | 117.1° | 120.0° |
| N18 | C19 | C20 | H191 | 120.4° | 119.9° |
| N18 | C19 | C21 | H191 | 121.7° | 120.0° |
| N18 | C19 | C20 | H201 | 180.0° | 180.0° |
| N18 | C19 | C20 | H202 | 60.0° | 60.0° |
| N18 | C19 | C20 | H203 | 60.0° | 60.1° |
| N18 | C19 | C21 | H211 | 180.0° | 60.0° |
| N18 | C19 | C21 | H212 | 60.0° | 60.1° |
| N18 | C19 | C21 | H213 | 60.0° | 180.0° |
| C20 | C19 | C21 | H191 | 122.5° | 120.1° |
| C19 | C20 | H201 | H202 | 120.0° | 120.0° |
| C19 | C20 | H201 | H203 | 120.0° | 120.0° |
| C19 | C20 | H202 | H203 | 120.0° | 120.1° |
| C20 | C19 | C21 | H211 | 64.2° | 59.9° |
| C20 | C19 | C21 | H212 | 55.8° | 180.0° |
| C20 | C19 | C21 | H213 | 175.8° | 60.0° |
| C20 | C19 | N18 | H181 | 18.5° | 95.0° |
| C21 | C19 | C20 | H201 | 62.9° | 60.0° |
| C21 | C19 | C20 | H202 | 177.1° | 180.0° |
| C21 | C19 | C20 | H203 | 57.1° | 59.9° |
| C19 | C21 | H211 | H212 | 120.0° | 120.1° |
| C19 | C21 | H211 | H213 | 120.0° | 120.0° |
| C19 | C21 | H212 | H213 | 120.0° | 120.0° |
| C21 | C19 | N18 | H181 | 100.4° | 24.9° |
| C22 | N23 | N24 | N25 | 0.8° | 0.1° |
| N23 | C22 | C26 | N25 | 0.9° | 0.1° |
| N23 | C22 | C26 | H261 | 179.1° | 180.0° |
| C26 | C22 | N23 | N24 | 1.1° | 0.1° |
| C22 | C26 | N25 | N24 | 0.4° | 0.0° |
| C22 | C26 | N25 | H261 | 180.0° | 179.9° |
| C22 | C26 | N25 | C27 | 178.9° | 180.0° |
| N23 | N24 | N25 | C26 | 0.2° | 0.0° |
| N23 | N24 | N25 | C27 | 179.6° | 180.0° |
| N24 | N25 | C26 | C27 | 179.3° | 180.0° |
| N24 | N25 | C27 | C28 | 39.9° | 95.0° |
| N24 | N25 | C27 | C32 | 81.6° | 145.5° |
| N24 | N25 | C26 | H261 | 179.6° | 179.9° |
| N24 | N25 | C27 | H271 | 159.1° | 25.2° |
| C26 | N25 | C27 | C28 | 139.4° | 85.0° |
| C26 | N25 | C27 | C32 | 99.1° | 34.5° |
| C26 | N25 | C27 | H271 | 20.1° | 154.8° |
| N25 | C27 | C28 | C32 | 122.8° | 119.8° |
| N25 | C27 | C28 | H271 | 119.9° | 120.3° |
| N25 | C27 | C32 | H271 | 119.9° | 120.2° |
| N25 | C27 | C28 | C29 | 174.0° | 176.9° |
| N25 | C27 | C32 | C31 | 179.4° | 176.9° |
| C27 | N25 | C26 | H261 | 1.1° | 0.1° |
| N25 | C27 | C28 | H281 | 53.9° | 56.9° |
| N25 | C27 | C28 | H282 | 65.9° | 63.2° |
| N25 | C27 | C32 | H321 | 60.8° | 63.3° |
| N25 | C27 | C32 | H322 | 59.6° | 56.9° |
| C28 | C27 | C32 | H271 | 117.4° | 119.9° |
| C27 | C28 | C29 | H281 | 120.1° | 119.9° |
| C27 | C28 | C29 | H282 | 120.1° | 120.0° |
| C27 | C28 | C29 | O30 | 55.8° | 57.6° |
| C28 | C27 | C32 | C31 | 56.7° | 57.0° |
| C27 | C28 | H281 | H282 | 119.8° | 120.1° |
| C27 | C28 | C29 | H291 | 175.8° | 177.6° |
| C27 | C28 | C29 | H292 | 64.3° | 62.3° |
| C28 | C27 | C32 | H321 | 176.6° | 176.9° |
| C28 | C27 | C32 | H322 | 63.1° | 62.9° |
| C32 | C27 | C28 | C29 | 51.3° | 57.0° |
| C27 | C32 | C31 | O30 | 65.4° | 57.6° |
| C27 | C32 | C31 | H321 | 119.8° | 119.9° |
| C27 | C32 | C31 | H322 | 119.9° | 119.9° |
| C32 | C27 | C28 | H281 | 68.8° | 63.0° |
| C32 | C27 | C28 | H282 | 171.3° | 177.0° |
| C27 | C32 | C31 | H311 | 175.3° | 62.4° |
| C27 | C32 | C31 | H312 | 53.9° | 177.6° |
| C27 | C32 | H321 | H322 | 120.4° | 120.2° |
| C28 | C29 | O30 | H291 | 120.0° | 120.0° |
| C28 | C29 | O30 | H292 | 120.0° | 120.0° |
| C28 | C29 | O30 | C31 | 67.4° | 61.1° |
| C29 | C28 | H281 | H282 | 119.8° | 120.1° |
| C29 | C28 | C27 | H271 | 66.1° | 62.9° |
| C28 | C29 | H291 | H292 | 120.0° | 120.1° |
| C29 | O30 | C31 | C32 | 71.3° | 61.1° |
| O30 | C29 | C28 | H281 | 64.3° | 62.3° |
| O30 | C29 | C28 | H282 | 175.8° | 177.6° |
| O30 | C29 | H291 | H292 | 119.9° | 120.0° |
| C29 | O30 | C31 | H311 | 169.3° | 58.9° |
| C29 | O30 | C31 | H312 | 48.0° | 178.9° |
| O30 | C31 | C32 | H311 | 119.3° | 120.0° |
| O30 | C31 | C32 | H312 | 119.3° | 120.0° |
| C31 | O30 | C29 | H291 | 172.5° | 178.9° |
| C31 | O30 | C29 | H292 | 52.6° | 58.8° |
| O30 | C31 | H311 | H312 | 122.0° | 120.0° |
| O30 | C31 | C32 | H321 | 174.8° | 177.5° |
| O30 | C31 | C32 | H322 | 54.5° | 62.3° |
| C31 | C32 | C27 | H271 | 60.7° | 62.9° |
| C32 | C31 | H311 | H312 | 122.0° | 120.0° |
| C31 | C32 | H321 | H322 | 120.4° | 120.2° |
| H201 | C20 | H202 | H203 | 120.0° | 120.0° |
| H201 | C20 | C19 | H191 | 59.6° | 60.1° |
| H202 | C20 | C19 | H191 | 60.5° | 59.9° |
| H203 | C20 | C19 | H191 | 179.6° | 180.0° |
| H211 | C21 | H212 | H213 | 119.9° | 119.9° |
| H211 | C21 | C19 | H191 | 58.3° | 180.0° |
| H212 | C21 | C19 | H191 | 178.3° | 59.9° |
| H213 | C21 | C19 | H191 | 61.7° | 60.0° |
| H281 | C28 | C27 | H271 | 173.8° | 177.1° |
| H281 | C28 | C29 | H291 | 55.7° | 57.6° |
| H281 | C28 | C29 | H292 | 175.7° | 177.7° |
| H282 | C28 | C27 | H271 | 54.0° | 57.1° |
| H282 | C28 | C29 | H291 | 64.2° | 62.5° |
| H282 | C28 | C29 | H292 | 55.8° | 57.6° |
| H081 | C08 | C09 | H091 | 1.0° | 0.2° |
| H191 | C19 | N18 | H181 | 138.4° | 145.0° |
| H271 | C27 | C32 | H321 | 59.2° | 57.0° |
| H271 | C27 | C32 | H322 | 179.5° | 177.2° |
| H311 | C31 | C32 | H321 | 55.4° | 57.5° |
| H311 | C31 | C32 | H322 | 64.8° | 177.7° |
| H312 | C31 | C32 | H321 | 65.9° | 62.5° |
| H312 | C31 | C32 | H322 | 173.8° | 57.7° |
