TAB
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1' | C2' | sing | 1.40Å | 1.39Å | Aromatic |
| C1' | C6' | doub | 1.39Å | 1.41Å | Aromatic |
| C1' | N8' | sing | 1.37Å | 1.32Å | |
| C2' | C3' | doub | 1.38Å | 1.39Å | Aromatic |
| C2' | CL8 | sing | 1.74Å | 1.73Å | |
| C3' | C4' | sing | 1.38Å | 1.41Å | Aromatic |
| C3' | H3'1 | sing | 1.08Å | 1.10Å | |
| C4' | C5' | doub | 1.39Å | 1.37Å | Aromatic |
| C4' | H4'1 | sing | 1.08Å | 1.10Å | |
| C5' | C6' | sing | 1.39Å | 1.39Å | Aromatic |
| C5' | C9' | sing | 1.48Å | 1.39Å | Aromatic |
| C6' | H6'1 | sing | 1.08Å | 1.10Å | |
| N8' | N65 | doub | 1.29Å | 1.35Å | |
| C9' | C10 | sing | 1.39Å | 1.44Å | Aromatic |
| C9' | C15 | doub | 1.41Å | 1.39Å | Aromatic |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C10 | N17 | doub | 1.32Å | 1.35Å | Aromatic |
| C11 | C20 | sing | 1.53Å | 1.57Å | |
| C11 | H111 | sing | 1.09Å | 1.12Å | |
| C11 | H112 | sing | 1.09Å | 1.11Å | |
| N17 | C14 | sing | 1.32Å | 1.37Å | Aromatic |
| C14 | N22 | sing | 1.38Å | 1.37Å | |
| C14 | N15 | doub | 1.32Å | 1.35Å | Aromatic |
| N22 | HN21 | sing | 0.97Å | 1.02Å | |
| N22 | HN22 | sing | 0.97Å | 1.02Å | |
| N15 | C15 | sing | 1.33Å | 1.34Å | Aromatic |
| C15 | N20 | sing | 1.38Å | 1.37Å | |
| N20 | HN11 | sing | 0.97Å | 1.02Å | |
| N20 | HN12 | sing | 0.97Å | 1.02Å | |
| N18 | C19 | sing | 1.47Å | 1.48Å | |
| N18 | C21 | sing | 1.46Å | 1.42Å | |
| N18 | N65 | sing | 1.40Å | 1.44Å | |
| C19 | C27 | sing | 1.51Å | 1.54Å | |
| C19 | H191 | sing | 1.09Å | 1.11Å | |
| C19 | H192 | sing | 1.09Å | 1.11Å | |
| C20 | H201 | sing | 1.09Å | 1.11Å | |
| C20 | H202 | sing | 1.09Å | 1.11Å | |
| C20 | H203 | sing | 1.09Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C21 | H211 | sing | 1.09Å | 1.11Å | |
| C21 | H212 | sing | 1.09Å | 1.11Å | |
| C22 | O23 | sing | 1.45Å | 1.48Å | |
| C22 | H221 | sing | 1.09Å | 1.12Å | |
| C22 | H222 | sing | 1.09Å | 1.11Å | |
| O23 | C24 | sing | 1.34Å | 1.35Å | |
| C24 | C25 | sing | 1.51Å | 1.51Å | |
| C24 | O26 | doub | 1.21Å | 1.25Å | |
| C25 | H251 | sing | 1.09Å | 1.12Å | |
| C25 | H252 | sing | 1.09Å | 1.12Å | |
| C25 | H253 | sing | 1.09Å | 1.11Å | |
| C27 | C28 | doub | 1.38Å | 1.41Å | Aromatic |
| C27 | C29 | sing | 1.38Å | 1.41Å | Aromatic |
| C28 | C32 | sing | 1.38Å | 1.39Å | Aromatic |
| C28 | H281 | sing | 1.08Å | 1.10Å | |
| C29 | C30 | doub | 1.38Å | 1.39Å | Aromatic |
| C29 | H291 | sing | 1.08Å | 1.10Å | |
| C30 | C31 | sing | 1.38Å | 1.38Å | Aromatic |
| C30 | H301 | sing | 1.08Å | 1.10Å | |
| C31 | C32 | doub | 1.38Å | 1.39Å | Aromatic |
| C31 | H311 | sing | 1.08Å | 1.10Å | |
| C32 | H321 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2' | C1' | C6' | 124.1° | 119.8° |
| C2' | C1' | N8' | 119.6° | 120.1° |
| C1' | C2' | C3' | 114.2° | 120.1° |
| C1' | C2' | CL8 | 123.6° | 120.0° |
| C6' | C1' | N8' | 116.3° | 120.1° |
| C1' | C6' | C5' | 119.9° | 119.7° |
| C1' | C6' | H6'1 | 120.9° | 120.1° |
| C1' | N8' | N65 | 123.9° | 120.0° |
| C3' | C2' | CL8 | 122.2° | 119.9° |
| C2' | C3' | C4' | 122.4° | 120.3° |
| C2' | C3' | H3'1 | 118.4° | 119.9° |
| C4' | C3' | H3'1 | 119.3° | 119.9° |
| C3' | C4' | C5' | 122.5° | 120.2° |
| C3' | C4' | H4'1 | 120.1° | 119.9° |
| C5' | C4' | H4'1 | 117.4° | 119.9° |
| C4' | C5' | C6' | 117.0° | 119.9° |
| C4' | C5' | C9' | 121.1° | 120.0° |
| C6' | C5' | C9' | 121.8° | 120.1° |
| C5' | C6' | H6'1 | 119.2° | 120.1° |
| C5' | C9' | C10 | 118.3° | 120.9° |
| C5' | C9' | C15 | 124.0° | 120.9° |
| N8' | N65 | N18 | 114.1° | 120.0° |
| C10 | C9' | C15 | 117.4° | 118.2° |
| C9' | C10 | C11 | 122.8° | 120.4° |
| C9' | C10 | N17 | 123.0° | 119.2° |
| C9' | C15 | N15 | 116.5° | 118.9° |
| C9' | C15 | N20 | 119.0° | 120.6° |
| C11 | C10 | N17 | 114.1° | 120.4° |
| C10 | C11 | C20 | 108.9° | 109.5° |
| C10 | C11 | H111 | 112.4° | 109.5° |
| C10 | C11 | H112 | 112.4° | 109.5° |
| C10 | N17 | C14 | 117.3° | 121.0° |
| C20 | C11 | H111 | 112.4° | 109.5° |
| C20 | C11 | H112 | 112.4° | 109.4° |
| C11 | C20 | H201 | 108.9° | 109.5° |
| C11 | C20 | H202 | 112.4° | 109.5° |
| C11 | C20 | H203 | 112.4° | 109.5° |
| H111 | C11 | H112 | 98.1° | 109.5° |
| N17 | C14 | N22 | 115.9° | 119.0° |
| N17 | C14 | N15 | 119.5° | 122.0° |
| N22 | C14 | N15 | 124.6° | 119.0° |
| C14 | N22 | HN21 | 115.9° | 120.0° |
| C14 | N22 | HN22 | 109.9° | 119.9° |
| C14 | N15 | C15 | 126.0° | 120.7° |
| HN21 | N22 | HN22 | 109.8° | 120.1° |
| N15 | C15 | N20 | 124.3° | 120.6° |
| C15 | N20 | HN11 | 118.9° | 119.9° |
| C15 | N20 | HN12 | 108.8° | 120.0° |
| HN11 | N20 | HN12 | 108.8° | 120.1° |
| C19 | N18 | C21 | 119.4° | 120.0° |
| C19 | N18 | N65 | 117.4° | 120.0° |
| N18 | C19 | C27 | 130.8° | 109.5° |
| N18 | C19 | H191 | 104.8° | 109.5° |
| N18 | C19 | H192 | 104.8° | 109.5° |
| C21 | N18 | N65 | 122.3° | 120.0° |
| N18 | C21 | C22 | 114.5° | 109.5° |
| N18 | C21 | H211 | 110.4° | 109.5° |
| N18 | C21 | H212 | 110.4° | 109.5° |
| C27 | C19 | H191 | 104.8° | 109.4° |
| C27 | C19 | H192 | 104.8° | 109.5° |
| C19 | C27 | C28 | 121.9° | 120.0° |
| C19 | C27 | C29 | 120.4° | 120.0° |
| H191 | C19 | H192 | 104.3° | 109.5° |
| H201 | C20 | H202 | 112.5° | 109.5° |
| H201 | C20 | H203 | 112.3° | 109.5° |
| H202 | C20 | H203 | 98.0° | 109.4° |
| C22 | C21 | H211 | 110.4° | 109.5° |
| C22 | C21 | H212 | 110.3° | 109.5° |
| C21 | C22 | O23 | 104.5° | 109.5° |
| C21 | C22 | H221 | 114.1° | 109.4° |
| C21 | C22 | H222 | 114.1° | 109.5° |
| H211 | C21 | H212 | 100.0° | 109.5° |
| O23 | C22 | H221 | 114.1° | 109.5° |
| O23 | C22 | H222 | 114.1° | 109.5° |
| C22 | O23 | C24 | 108.5° | 120.0° |
| H221 | C22 | H222 | 96.3° | 109.5° |
| O23 | C24 | C25 | 120.0° | 120.0° |
| O23 | C24 | O26 | 130.1° | 120.0° |
| C25 | C24 | O26 | 109.8° | 120.0° |
| C24 | C25 | H251 | 120.0° | 109.5° |
| C24 | C25 | H252 | 108.4° | 109.5° |
| C24 | C25 | H253 | 108.4° | 109.5° |
| H251 | C25 | H252 | 108.4° | 109.4° |
| H251 | C25 | H253 | 108.5° | 109.5° |
| H252 | C25 | H253 | 101.5° | 109.5° |
| C28 | C27 | C29 | 117.7° | 119.9° |
| C27 | C28 | C32 | 118.1° | 120.0° |
| C27 | C28 | H281 | 121.6° | 120.0° |
| C27 | C29 | C30 | 123.5° | 120.1° |
| C27 | C29 | H291 | 119.3° | 120.0° |
| C32 | C28 | H281 | 120.3° | 120.0° |
| C28 | C32 | C31 | 122.7° | 120.0° |
| C28 | C32 | H321 | 118.6° | 120.0° |
| C30 | C29 | H291 | 117.2° | 120.0° |
| C29 | C30 | C31 | 117.8° | 120.0° |
| C29 | C30 | H301 | 121.5° | 120.1° |
| C31 | C30 | H301 | 120.7° | 120.0° |
| C30 | C31 | C32 | 120.1° | 120.0° |
| C30 | C31 | H311 | 119.4° | 120.1° |
| C32 | C31 | H311 | 120.5° | 119.9° |
| C31 | C32 | H321 | 118.7° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2' | C1' | C6' | N8' | 179.8° | 179.7° |
| C1' | C2' | C3' | CL8 | 178.5° | 180.0° |
| C1' | C2' | C3' | C4' | 1.4° | 0.0° |
| C1' | C2' | C3' | H3'1 | 178.6° | 180.0° |
| C2' | C1' | C6' | C5' | 2.3° | 0.5° |
| C2' | C1' | C6' | H6'1 | 177.7° | 180.0° |
| C2' | C1' | N8' | N65 | 177.6° | 180.0° |
| C6' | C1' | C2' | C3' | 2.0° | 0.3° |
| C6' | C1' | C2' | CL8 | 179.6° | 179.8° |
| C1' | C6' | C5' | C4' | 1.9° | 0.5° |
| C1' | C6' | C5' | H6'1 | 180.0° | 179.5° |
| C1' | C6' | C5' | C9' | 178.6° | 179.7° |
| C6' | C1' | N8' | N65 | 2.6° | 0.2° |
| N8' | C1' | C2' | C3' | 177.8° | 180.0° |
| N8' | C1' | C2' | CL8 | 0.6° | 0.0° |
| N8' | C1' | C6' | C5' | 177.5° | 179.7° |
| N8' | C1' | C6' | H6'1 | 2.6° | 0.2° |
| C1' | N8' | N65 | N18 | 140.4° | 180.0° |
| C2' | C3' | C4' | H3'1 | 180.0° | 180.0° |
| C2' | C3' | C4' | C5' | 1.1° | 0.0° |
| C2' | C3' | C4' | H4'1 | 178.8° | 180.0° |
| CL8 | C2' | C3' | C4' | 179.8° | 180.0° |
| CL8 | C2' | C3' | H3'1 | 0.2° | 0.0° |
| C3' | C4' | C5' | H4'1 | 180.0° | 180.0° |
| C3' | C4' | C5' | C6' | 1.3° | 0.3° |
| C3' | C4' | C5' | C9' | 178.1° | 180.0° |
| H3'1 | C3' | C4' | C5' | 178.9° | 180.0° |
| H3'1 | C3' | C4' | H4'1 | 1.2° | 0.0° |
| C4' | C5' | C6' | C9' | 176.7° | 179.7° |
| C4' | C5' | C6' | H6'1 | 178.1° | 180.0° |
| C4' | C5' | C9' | C10 | 114.3° | 60.5° |
| C4' | C5' | C9' | C15 | 59.7° | 120.0° |
| H4'1 | C4' | C5' | C6' | 178.7° | 179.8° |
| H4'1 | C4' | C5' | C9' | 1.9° | 0.0° |
| C6' | C5' | C9' | C10 | 62.3° | 119.3° |
| C6' | C5' | C9' | C15 | 123.7° | 60.2° |
| C9' | C5' | C6' | H6'1 | 1.4° | 0.2° |
| C5' | C9' | C10 | C15 | 174.4° | 179.5° |
| C5' | C9' | C10 | C11 | 4.0° | 0.3° |
| C5' | C9' | C10 | N17 | 177.6° | 180.0° |
| C5' | C9' | C15 | N15 | 178.5° | 179.9° |
| C5' | C9' | C15 | N20 | 6.0° | 0.3° |
| N8' | N65 | N18 | C19 | 143.0° | 0.0° |
| N8' | N65 | N18 | C21 | 47.7° | 180.0° |
| C9' | C10 | C11 | N17 | 178.6° | 179.7° |
| C9' | C10 | C11 | C20 | 109.3° | 90.2° |
| C9' | C10 | C11 | H111 | 125.5° | 149.7° |
| C9' | C10 | C11 | H112 | 16.0° | 29.7° |
| C9' | C10 | N17 | C14 | 0.9° | 0.3° |
| C10 | C9' | C15 | N15 | 4.4° | 0.6° |
| C10 | C9' | C15 | N20 | 179.9° | 179.8° |
| C15 | C9' | C10 | C11 | 178.5° | 179.8° |
| C15 | C9' | C10 | N17 | 3.1° | 0.5° |
| C9' | C15 | N15 | C14 | 2.1° | 0.4° |
| C9' | C15 | N15 | N20 | 175.2° | 179.6° |
| C9' | C15 | N20 | HN11 | 180.0° | 179.7° |
| C9' | C15 | N20 | HN12 | 54.8° | 0.3° |
| C10 | C11 | C20 | H111 | 125.2° | 120.0° |
| C10 | C11 | C20 | H112 | 125.3° | 120.0° |
| C10 | C11 | H111 | H112 | 118.3° | 120.0° |
| C11 | C10 | N17 | C14 | 177.6° | 180.0° |
| C10 | C11 | C20 | H201 | 179.9° | 180.0° |
| C10 | C11 | C20 | H202 | 54.7° | 60.0° |
| C10 | C11 | C20 | H203 | 54.8° | 60.0° |
| N17 | C10 | C11 | C20 | 72.2° | 90.0° |
| N17 | C10 | C11 | H111 | 53.0° | 30.0° |
| N17 | C10 | C11 | H112 | 162.5° | 150.0° |
| C10 | N17 | C14 | N22 | 180.0° | 180.0° |
| C10 | N17 | C14 | N15 | 3.5° | 0.0° |
| C20 | C11 | H111 | H112 | 118.4° | 120.0° |
| C11 | C20 | H201 | H202 | 125.3° | 120.0° |
| C11 | C20 | H201 | H203 | 125.2° | 120.1° |
| C11 | C20 | H202 | H203 | 118.3° | 120.0° |
| H111 | C11 | C20 | H201 | 54.7° | 60.0° |
| H111 | C11 | C20 | H202 | 179.9° | 60.0° |
| H111 | C11 | C20 | H203 | 70.4° | 180.0° |
| H112 | C11 | C20 | H201 | 54.8° | 60.0° |
| H112 | C11 | C20 | H202 | 70.5° | 180.0° |
| H112 | C11 | C20 | H203 | 180.0° | 60.0° |
| N17 | C14 | N22 | N15 | 176.3° | 180.0° |
| N17 | C14 | N22 | HN21 | 180.0° | 180.0° |
| N17 | C14 | N22 | HN22 | 54.7° | 0.1° |
| N17 | C14 | N15 | C15 | 2.1° | 0.1° |
| C14 | N22 | HN21 | HN22 | 125.3° | 179.9° |
| N22 | C14 | N15 | C15 | 178.2° | 179.9° |
| N15 | C14 | N22 | HN21 | 3.7° | 0.0° |
| N15 | C14 | N22 | HN22 | 121.6° | 179.9° |
| C14 | N15 | C15 | N20 | 177.3° | 180.0° |
| N15 | C15 | N20 | HN11 | 4.8° | 0.1° |
| N15 | C15 | N20 | HN12 | 120.4° | 179.9° |
| C15 | N20 | HN11 | HN12 | 125.2° | 180.0° |
| C19 | N18 | C21 | N65 | 169.2° | 180.0° |
| N18 | C19 | C27 | H191 | 125.2° | 120.0° |
| N18 | C19 | C27 | H192 | 125.2° | 120.0° |
| N18 | C19 | H191 | H192 | 109.9° | 120.0° |
| C19 | N18 | C21 | C22 | 50.4° | 90.0° |
| C19 | N18 | C21 | H211 | 74.9° | 30.0° |
| C19 | N18 | C21 | H212 | 175.6° | 150.0° |
| N18 | C19 | C27 | C28 | 117.7° | 89.9° |
| N18 | C19 | C27 | C29 | 62.9° | 90.3° |
| C21 | N18 | C19 | C27 | 91.3° | 120.0° |
| C21 | N18 | C19 | H191 | 143.5° | 0.0° |
| C21 | N18 | C19 | H192 | 33.9° | 119.9° |
| N18 | C21 | C22 | H211 | 125.3° | 120.0° |
| N18 | C21 | C22 | H212 | 125.2° | 120.0° |
| N18 | C21 | H211 | H212 | 116.2° | 120.0° |
| N18 | C21 | C22 | O23 | 151.6° | 60.0° |
| N18 | C21 | C22 | H221 | 26.3° | 180.0° |
| N18 | C21 | C22 | H222 | 83.2° | 60.0° |
| N65 | N18 | C19 | C27 | 78.4° | 60.0° |
| N65 | N18 | C19 | H191 | 46.8° | 180.0° |
| N65 | N18 | C19 | H192 | 156.4° | 60.0° |
| N65 | N18 | C21 | C22 | 118.8° | 90.0° |
| N65 | N18 | C21 | H211 | 115.9° | 150.0° |
| N65 | N18 | C21 | H212 | 6.4° | 30.0° |
| C27 | C19 | H191 | H192 | 109.8° | 120.0° |
| C19 | C27 | C28 | C29 | 179.4° | 179.8° |
| C19 | C27 | C28 | C32 | 179.6° | 180.0° |
| C19 | C27 | C28 | H281 | 0.4° | 0.1° |
| C19 | C27 | C29 | C30 | 179.2° | 179.8° |
| C19 | C27 | C29 | H291 | 0.8° | 0.2° |
| H191 | C19 | C27 | C28 | 117.1° | 30.0° |
| H191 | C19 | C27 | C29 | 62.3° | 149.7° |
| H192 | C19 | C27 | C28 | 7.5° | 150.0° |
| H192 | C19 | C27 | C29 | 171.9° | 29.8° |
| H201 | C20 | H202 | H203 | 118.3° | 120.0° |
| C22 | C21 | H211 | H212 | 116.2° | 120.0° |
| C21 | C22 | O23 | H221 | 125.3° | 120.0° |
| C21 | C22 | O23 | H222 | 125.3° | 120.0° |
| C21 | C22 | H221 | H222 | 120.0° | 120.0° |
| C21 | C22 | O23 | C24 | 145.4° | 180.0° |
| H211 | C21 | C22 | O23 | 83.2° | 60.0° |
| H211 | C21 | C22 | H221 | 151.6° | 60.0° |
| H211 | C21 | C22 | H222 | 42.1° | 180.0° |
| H212 | C21 | C22 | O23 | 26.3° | 180.0° |
| H212 | C21 | C22 | H221 | 98.9° | 60.0° |
| H212 | C21 | C22 | H222 | 151.6° | 60.0° |
| O23 | C22 | H221 | H222 | 119.9° | 120.0° |
| C22 | O23 | C24 | C25 | 8.3° | 180.0° |
| C22 | O23 | C24 | O26 | 175.5° | 0.0° |
| H221 | C22 | O23 | C24 | 89.3° | 60.0° |
| H222 | C22 | O23 | C24 | 20.0° | 60.0° |
| O23 | C24 | C25 | O26 | 176.9° | 180.0° |
| O23 | C24 | C25 | H251 | 179.9° | 180.0° |
| O23 | C24 | C25 | H252 | 54.7° | 60.0° |
| O23 | C24 | C25 | H253 | 54.7° | 60.0° |
| C24 | C25 | H251 | H252 | 125.2° | 120.0° |
| C24 | C25 | H251 | H253 | 125.3° | 120.0° |
| C24 | C25 | H252 | H253 | 114.1° | 120.0° |
| O26 | C24 | C25 | H251 | 3.2° | 0.0° |
| O26 | C24 | C25 | H252 | 128.3° | 120.0° |
| O26 | C24 | C25 | H253 | 122.2° | 120.0° |
| H251 | C25 | H252 | H253 | 114.2° | 120.0° |
| C27 | C28 | C32 | H281 | 180.0° | 179.9° |
| C28 | C27 | C29 | C30 | 0.2° | 0.4° |
| C28 | C27 | C29 | H291 | 179.8° | 180.0° |
| C27 | C28 | C32 | C31 | 1.4° | 0.0° |
| C27 | C28 | C32 | H321 | 178.5° | 180.0° |
| C29 | C27 | C28 | C32 | 1.0° | 0.2° |
| C29 | C27 | C28 | H281 | 179.0° | 179.7° |
| C27 | C29 | C30 | H291 | 180.0° | 179.6° |
| C27 | C29 | C30 | C31 | 1.1° | 0.4° |
| C27 | C29 | C30 | H301 | 178.9° | 179.8° |
| C28 | C32 | C31 | C30 | 0.6° | 0.0° |
| C28 | C32 | C31 | H321 | 179.9° | 180.0° |
| C28 | C32 | C31 | H311 | 179.4° | 179.9° |
| H281 | C28 | C32 | C31 | 178.6° | 179.9° |
| H281 | C28 | C32 | H321 | 1.5° | 0.0° |
| C29 | C30 | C31 | H301 | 180.0° | 179.8° |
| C29 | C30 | C31 | C32 | 0.7° | 0.2° |
| C29 | C30 | C31 | H311 | 179.3° | 179.9° |
| H291 | C29 | C30 | C31 | 178.9° | 180.0° |
| H291 | C29 | C30 | H301 | 1.1° | 0.1° |
| C30 | C31 | C32 | H311 | 180.0° | 179.9° |
| C30 | C31 | C32 | H321 | 179.3° | 180.0° |
| H301 | C30 | C31 | C32 | 179.3° | 180.0° |
| H301 | C30 | C31 | H311 | 0.7° | 0.0° |
| H311 | C31 | C32 | H321 | 0.6° | 0.1° |
