251
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N36 | C34 | sing | 1.37Å | 1.32Å | |
| N32 | C34 | sing | 1.38Å | 1.35Å | |
| N32 | C29 | sing | 1.35Å | 1.37Å | |
| C20 | C21 | doub | 1.38Å | 1.43Å | Aromatic |
| C20 | C19 | sing | 1.38Å | 1.44Å | Aromatic |
| C34 | N35 | doub | 1.30Å | 1.36Å | |
| C28 | C29 | sing | 1.51Å | 1.55Å | |
| C28 | N16 | sing | 1.47Å | 1.51Å | |
| C21 | C22 | sing | 1.38Å | 1.43Å | Aromatic |
| C19 | C18 | doub | 1.38Å | 1.44Å | Aromatic |
| C29 | O33 | doub | 1.21Å | 1.26Å | |
| C22 | C17 | doub | 1.40Å | 1.45Å | Aromatic |
| C5 | C4 | doub | 1.38Å | 1.44Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.44Å | Aromatic |
| C4 | C3 | sing | 1.40Å | 1.43Å | Aromatic |
| C18 | C17 | sing | 1.40Å | 1.47Å | Aromatic |
| C17 | C15 | sing | 1.48Å | 1.51Å | Aromatic |
| N16 | C15 | sing | 1.37Å | 1.49Å | Aromatic |
| N16 | C12 | sing | 1.37Å | 1.50Å | Aromatic |
| C15 | C14 | doub | 1.36Å | 1.37Å | Aromatic |
| C6 | C1 | doub | 1.38Å | 1.45Å | Aromatic |
| C3 | C12 | sing | 1.48Å | 1.46Å | Aromatic |
| C3 | C2 | doub | 1.40Å | 1.45Å | Aromatic |
| C12 | C13 | doub | 1.36Å | 1.36Å | Aromatic |
| C14 | C13 | sing | 1.40Å | 1.47Å | Aromatic |
| C1 | C2 | sing | 1.38Å | 1.45Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C13 | H13 | sing | 1.08Å | 1.08Å | |
| C14 | H14 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C19 | H19 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.08Å | 1.08Å | |
| C22 | H22 | sing | 1.08Å | 1.08Å | |
| C28 | H281 | sing | 1.09Å | 1.10Å | |
| C28 | H282 | sing | 1.09Å | 1.10Å | |
| N32 | HN32 | sing | 0.97Å | 1.00Å | |
| N35 | HN35 | sing | 0.97Å | 1.00Å | |
| N36 | H361 | sing | 0.97Å | 1.00Å | |
| N36 | H362 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N36 | C34 | N32 | 115.9° | 120.1° |
| N36 | C34 | N35 | 122.6° | 120.0° |
| C34 | N36 | H361 | 109.8° | 120.0° |
| C34 | N36 | H362 | 125.1° | 120.0° |
| C34 | N32 | C29 | 125.9° | 120.0° |
| N32 | C34 | N35 | 121.5° | 120.0° |
| C34 | N32 | HN32 | 117.1° | 120.0° |
| N32 | C29 | C28 | 114.4° | 120.0° |
| N32 | C29 | O33 | 124.5° | 120.0° |
| C29 | N32 | HN32 | 117.0° | 120.0° |
| C21 | C20 | C19 | 120.0° | 120.3° |
| C20 | C21 | C22 | 121.2° | 120.1° |
| C21 | C20 | H20 | 120.0° | 119.9° |
| C20 | C21 | H21 | 119.4° | 119.9° |
| C20 | C19 | C18 | 119.6° | 120.1° |
| C20 | C19 | H19 | 120.2° | 119.9° |
| C19 | C20 | H20 | 120.0° | 119.8° |
| C34 | N35 | HN35 | 109.8° | 120.0° |
| C29 | C28 | N16 | 107.1° | 109.5° |
| C28 | C29 | O33 | 121.1° | 120.0° |
| C29 | C28 | H281 | 110.3° | 109.4° |
| C29 | C28 | H282 | 110.8° | 109.5° |
| C28 | N16 | C15 | 124.9° | 125.7° |
| C28 | N16 | C12 | 128.4° | 125.7° |
| N16 | C28 | H281 | 110.3° | 109.5° |
| N16 | C28 | H282 | 110.8° | 109.5° |
| C21 | C22 | C17 | 120.3° | 119.9° |
| C22 | C21 | H21 | 119.4° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C19 | C18 | C17 | 120.9° | 119.8° |
| C19 | C18 | H18 | 119.6° | 120.1° |
| C18 | C19 | H19 | 120.2° | 119.9° |
| C22 | C17 | C18 | 118.1° | 119.7° |
| C22 | C17 | C15 | 118.3° | 120.2° |
| C17 | C22 | H22 | 119.9° | 120.0° |
| C4 | C5 | C6 | 119.9° | 120.2° |
| C5 | C4 | C3 | 120.8° | 119.9° |
| C5 | C4 | H4 | 119.6° | 120.1° |
| C4 | C5 | H5 | 120.1° | 119.9° |
| C5 | C6 | C1 | 119.8° | 120.3° |
| C6 | C5 | H5 | 120.1° | 119.9° |
| C5 | C6 | H6 | 120.1° | 119.8° |
| C4 | C3 | C12 | 118.0° | 120.2° |
| C4 | C3 | C2 | 119.9° | 119.7° |
| C3 | C4 | H4 | 119.6° | 120.0° |
| C18 | C17 | C15 | 123.6° | 120.1° |
| C17 | C18 | H18 | 119.5° | 120.1° |
| C17 | C15 | N16 | 127.5° | 126.0° |
| C17 | C15 | C14 | 126.0° | 125.9° |
| C15 | N16 | C12 | 106.8° | 108.5° |
| N16 | C15 | C14 | 106.5° | 108.1° |
| N16 | C12 | C3 | 127.7° | 125.9° |
| N16 | C12 | C13 | 106.9° | 108.1° |
| C15 | C14 | C13 | 109.9° | 107.6° |
| C15 | C14 | H14 | 125.1° | 126.2° |
| C6 | C1 | C2 | 119.8° | 120.1° |
| C6 | C1 | H1 | 120.1° | 119.9° |
| C1 | C6 | H6 | 120.1° | 119.9° |
| C12 | C3 | C2 | 122.2° | 120.2° |
| C3 | C12 | C13 | 125.4° | 125.9° |
| C3 | C2 | C1 | 119.8° | 119.9° |
| C3 | C2 | H2 | 120.1° | 120.1° |
| C12 | C13 | C14 | 110.0° | 107.6° |
| C12 | C13 | H13 | 125.0° | 126.2° |
| C14 | C13 | H13 | 125.0° | 126.2° |
| C13 | C14 | H14 | 125.0° | 126.2° |
| C2 | C1 | H1 | 120.1° | 120.0° |
| C1 | C2 | H2 | 120.1° | 120.0° |
| H281 | C28 | H282 | 107.6° | 109.5° |
| H361 | N36 | H362 | 125.1° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N36 | C34 | N32 | N35 | 179.7° | 179.9° |
| N36 | C34 | N32 | C29 | 179.8° | 180.0° |
| N36 | C34 | N32 | HN32 | 0.2° | 0.1° |
| N36 | C34 | N35 | HN35 | 0.1° | 0.0° |
| C34 | N36 | H361 | H362 | 180.0° | 179.9° |
| C34 | N32 | C29 | HN32 | 180.0° | 180.0° |
| C34 | N32 | C29 | C28 | 179.0° | 180.0° |
| C34 | N32 | C29 | O33 | 0.2° | 0.0° |
| N32 | C34 | N35 | HN35 | 179.8° | 180.0° |
| N32 | C34 | N36 | H361 | 0.0° | 0.1° |
| N32 | C34 | N36 | H362 | 180.0° | 180.0° |
| C29 | N32 | C34 | N35 | 0.1° | 0.0° |
| N32 | C29 | C28 | O33 | 179.2° | 179.9° |
| N32 | C29 | C28 | N16 | 178.4° | 180.0° |
| N32 | C29 | C28 | H281 | 58.4° | 60.0° |
| N32 | C29 | C28 | H282 | 60.6° | 60.0° |
| C21 | C20 | C19 | H20 | 180.0° | 179.7° |
| C20 | C21 | C22 | H21 | 180.0° | 179.7° |
| C21 | C20 | C19 | C18 | 0.3° | 0.0° |
| C20 | C21 | C22 | C17 | 0.3° | 0.5° |
| C21 | C20 | C19 | H19 | 179.7° | 179.9° |
| C20 | C21 | C22 | H22 | 179.7° | 180.0° |
| C19 | C20 | C21 | C22 | 0.2° | 0.3° |
| C20 | C19 | C18 | H19 | 180.0° | 179.9° |
| C20 | C19 | C18 | C17 | 0.5° | 0.0° |
| C20 | C19 | C18 | H18 | 179.5° | 179.9° |
| C19 | C20 | C21 | H21 | 179.8° | 180.0° |
| N35 | C34 | N32 | HN32 | 179.9° | 180.0° |
| N35 | C34 | N36 | H361 | 179.7° | 180.0° |
| N35 | C34 | N36 | H362 | 0.3° | 0.0° |
| C29 | C28 | N16 | H281 | 120.0° | 120.0° |
| C29 | C28 | N16 | H282 | 120.9° | 120.0° |
| C29 | C28 | N16 | C15 | 82.1° | 90.3° |
| C29 | C28 | N16 | C12 | 97.2° | 90.1° |
| C29 | C28 | H281 | H282 | 121.0° | 120.0° |
| C28 | C29 | N32 | HN32 | 1.0° | 0.0° |
| N16 | C28 | C29 | O33 | 0.8° | 0.0° |
| C28 | N16 | C15 | C17 | 2.2° | 0.2° |
| C28 | N16 | C15 | C12 | 179.4° | 179.6° |
| C28 | N16 | C15 | C14 | 179.2° | 180.0° |
| C28 | N16 | C12 | C3 | 1.6° | 0.3° |
| C28 | N16 | C12 | C13 | 179.3° | 180.0° |
| N16 | C28 | H281 | H282 | 121.0° | 120.0° |
| C21 | C22 | C17 | H22 | 180.0° | 179.5° |
| C21 | C22 | C17 | C18 | 0.5° | 0.5° |
| C21 | C22 | C17 | C15 | 179.0° | 179.8° |
| C22 | C21 | C20 | H20 | 179.8° | 180.0° |
| C19 | C18 | C17 | C22 | 0.6° | 0.3° |
| C19 | C18 | C17 | H18 | 180.0° | 179.9° |
| C19 | C18 | C17 | C15 | 178.8° | 180.0° |
| C18 | C19 | C20 | H20 | 179.7° | 179.7° |
| O33 | C29 | C28 | H281 | 120.8° | 120.1° |
| O33 | C29 | C28 | H282 | 120.2° | 120.0° |
| O33 | C29 | N32 | HN32 | 179.8° | 179.9° |
| C22 | C17 | C18 | C15 | 179.4° | 179.7° |
| C22 | C17 | C15 | N16 | 125.5° | 21.9° |
| C22 | C17 | C15 | C14 | 52.9° | 157.9° |
| C22 | C17 | C18 | H18 | 179.4° | 179.8° |
| C17 | C22 | C21 | H21 | 179.7° | 179.7° |
| C4 | C5 | C6 | H5 | 180.0° | 179.8° |
| C5 | C4 | C3 | H4 | 180.0° | 180.0° |
| C4 | C5 | C6 | C1 | 0.6° | 0.5° |
| C5 | C4 | C3 | C12 | 180.0° | 180.0° |
| C5 | C4 | C3 | C2 | 0.7° | 0.0° |
| C4 | C5 | C6 | H6 | 179.4° | 180.0° |
| C6 | C5 | C4 | C3 | 0.7° | 0.3° |
| C5 | C6 | C1 | H6 | 180.0° | 179.5° |
| C5 | C6 | C1 | C2 | 0.7° | 0.6° |
| C5 | C6 | C1 | H1 | 179.4° | 179.7° |
| C6 | C5 | C4 | H4 | 179.3° | 179.7° |
| C4 | C3 | C12 | N16 | 59.7° | 21.4° |
| C4 | C3 | C12 | C2 | 179.2° | 180.0° |
| C4 | C3 | C12 | C13 | 119.2° | 158.3° |
| C4 | C3 | C2 | C1 | 0.8° | 0.1° |
| C4 | C3 | C2 | H2 | 179.2° | 179.9° |
| C3 | C4 | C5 | H5 | 179.3° | 180.0° |
| C18 | C17 | C15 | N16 | 53.9° | 158.4° |
| C18 | C17 | C15 | C14 | 127.7° | 21.8° |
| C17 | C18 | C19 | H19 | 179.5° | 179.9° |
| C18 | C17 | C22 | H22 | 179.6° | 180.0° |
| C17 | C15 | N16 | C14 | 178.6° | 179.8° |
| C17 | C15 | N16 | C12 | 178.4° | 179.8° |
| C17 | C15 | C14 | C13 | 178.4° | 180.0° |
| C17 | C15 | C14 | H14 | 1.6° | 0.0° |
| C15 | C17 | C18 | H18 | 1.2° | 0.1° |
| C15 | C17 | C22 | H22 | 1.0° | 0.3° |
| C15 | N16 | C12 | C3 | 179.1° | 179.9° |
| C15 | N16 | C12 | C13 | 0.1° | 0.4° |
| N16 | C15 | C14 | C13 | 0.3° | 0.2° |
| N16 | C15 | C14 | H14 | 179.8° | 179.8° |
| C15 | N16 | C28 | H281 | 37.9° | 149.7° |
| C15 | N16 | C28 | H282 | 157.0° | 29.7° |
| C12 | N16 | C15 | C14 | 0.2° | 0.4° |
| N16 | C12 | C3 | C13 | 179.0° | 179.6° |
| N16 | C12 | C3 | C2 | 119.5° | 158.6° |
| N16 | C12 | C13 | C14 | 0.1° | 0.3° |
| N16 | C12 | C13 | H13 | 179.9° | 179.8° |
| C12 | N16 | C28 | H281 | 142.8° | 29.8° |
| C12 | N16 | C28 | H282 | 23.8° | 149.9° |
| C15 | C14 | C13 | C12 | 0.2° | 0.1° |
| C15 | C14 | C13 | H14 | 180.0° | 180.0° |
| C15 | C14 | C13 | H13 | 179.8° | 179.9° |
| C6 | C1 | C2 | C3 | 0.7° | 0.3° |
| C6 | C1 | C2 | H1 | 180.0° | 179.7° |
| C6 | C1 | C2 | H2 | 179.3° | 179.8° |
| C1 | C6 | C5 | H5 | 179.3° | 179.7° |
| C3 | C12 | C13 | C14 | 179.2° | 180.0° |
| C12 | C3 | C2 | C1 | 179.9° | 180.0° |
| C12 | C3 | C2 | H2 | 0.1° | 0.1° |
| C12 | C3 | C4 | H4 | 0.0° | 0.0° |
| C3 | C12 | C13 | H13 | 0.8° | 0.1° |
| C2 | C3 | C12 | C13 | 61.6° | 21.7° |
| C3 | C2 | C1 | H2 | 180.0° | 179.9° |
| C3 | C2 | C1 | H1 | 179.3° | 180.0° |
| C2 | C3 | C4 | H4 | 179.2° | 179.9° |
| C12 | C13 | C14 | H13 | 180.0° | 179.9° |
| C12 | C13 | C14 | H14 | 179.8° | 179.9° |
| C2 | C1 | C6 | H6 | 179.4° | 180.0° |
| H1 | C1 | C2 | H2 | 0.7° | 0.1° |
| H1 | C1 | C6 | H6 | 0.6° | 0.3° |
| H4 | C4 | C5 | H5 | 0.7° | 0.1° |
| H5 | C5 | C6 | H6 | 0.6° | 0.2° |
| H13 | C13 | C14 | H14 | 0.2° | 0.1° |
| H18 | C18 | C19 | H19 | 0.5° | 0.0° |
| H19 | C19 | C20 | H20 | 0.3° | 0.2° |
| H20 | C20 | C21 | H21 | 0.2° | 0.3° |
| H21 | C21 | C22 | H22 | 0.3° | 0.2° |
