7Y7
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C27 | N18 | sing | 1.47Å | 1.46Å | |
| C27 | C26 | sing | 1.51Å | 1.51Å | |
| C32 | C26 | doub | 1.38Å | 1.39Å | Aromatic |
| C32 | C31 | sing | 1.38Å | 1.39Å | Aromatic |
| N18 | C12 | sing | 1.35Å | 1.35Å | |
| C26 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C31 | C30 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C35 | doub | 1.38Å | 1.38Å | Aromatic |
| C34 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C12 | N17 | sing | 1.35Å | 1.35Å | |
| C12 | O23 | doub | 1.22Å | 1.22Å | |
| N17 | C29 | sing | 1.40Å | 1.40Å | |
| C35 | C37 | sing | 1.38Å | 1.38Å | Aromatic |
| C29 | C33 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C10 | doub | 1.39Å | 1.39Å | Aromatic |
| C30 | C10 | sing | 1.39Å | 1.39Å | Aromatic |
| C37 | C36 | doub | 1.38Å | 1.38Å | Aromatic |
| C33 | C36 | sing | 1.38Å | 1.38Å | Aromatic |
| C10 | N3 | sing | 1.40Å | 1.40Å | |
| N3 | C2 | sing | 1.35Å | 1.35Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.40Å | Aromatic |
| O24 | C2 | sing | 1.35Å | 1.35Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C7 | doub | 1.30Å | 1.30Å | Aromatic |
| C1 | C7 | sing | 1.42Å | 1.42Å | Aromatic |
| C1 | C5 | sing | 1.47Å | 1.47Å | |
| N13 | C5 | sing | 1.35Å | 1.35Å | |
| N13 | C19 | sing | 1.40Å | 1.40Å | |
| C5 | O20 | doub | 1.22Å | 1.22Å | |
| C28 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C28 | C25 | doub | 1.37Å | 1.37Å | Aromatic |
| C19 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C25 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C15 | C6 | doub | 1.41Å | 1.41Å | Aromatic |
| C15 | N11 | sing | 1.36Å | 1.36Å | |
| C6 | C8 | sing | 1.47Å | 1.47Å | |
| N11 | C14 | doub | 1.30Å | 1.30Å | |
| C8 | O22 | doub | 1.22Å | 1.22Å | |
| C8 | N9 | sing | 1.35Å | 1.35Å | |
| C14 | N9 | sing | 1.36Å | 1.36Å | |
| C7 | H1 | sing | 1.08Å | 1.08Å | |
| C21 | H2 | sing | 1.08Å | 1.08Å | |
| C28 | H3 | sing | 1.08Å | 1.08Å | |
| N9 | H5 | sing | 0.97Å | 1.00Å | |
| N13 | H6 | sing | 0.97Å | 1.00Å | |
| C14 | H7 | sing | 1.08Å | 1.08Å | |
| C16 | H8 | sing | 1.08Å | 1.08Å | |
| N17 | H9 | sing | 0.97Å | 1.00Å | |
| N18 | H10 | sing | 0.97Å | 1.00Å | |
| C25 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.09Å | 1.10Å | |
| C27 | H13 | sing | 1.09Å | 1.10Å | |
| C30 | H14 | sing | 1.08Å | 1.08Å | |
| C31 | H15 | sing | 1.08Å | 1.08Å | |
| C32 | H16 | sing | 1.08Å | 1.08Å | |
| C33 | H17 | sing | 1.08Å | 1.08Å | |
| C34 | H18 | sing | 1.08Å | 1.08Å | |
| C35 | H19 | sing | 1.08Å | 1.08Å | |
| C36 | H20 | sing | 1.08Å | 1.08Å | |
| C37 | H21 | sing | 1.08Å | 1.08Å | |
| O24 | H4 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N18 | C27 | C26 | 113.5° | 109.5° |
| C27 | N18 | C12 | 121.4° | 120.0° |
| C27 | N18 | H10 | 119.3° | 120.0° |
| N18 | C27 | H12 | 108.5° | 109.4° |
| N18 | C27 | H13 | 108.4° | 109.5° |
| C27 | C26 | C32 | 120.1° | 120.0° |
| C27 | C26 | C21 | 119.8° | 120.0° |
| C26 | C27 | H12 | 108.4° | 109.5° |
| C26 | C27 | H13 | 108.5° | 109.5° |
| C26 | C32 | C31 | 120.0° | 120.2° |
| C32 | C26 | C21 | 120.1° | 120.0° |
| C26 | C32 | H16 | 120.0° | 119.9° |
| C32 | C31 | C30 | 120.1° | 120.1° |
| C32 | C31 | H15 | 120.0° | 120.0° |
| C31 | C32 | H16 | 119.9° | 119.9° |
| N18 | C12 | N17 | 118.6° | 120.0° |
| N18 | C12 | O23 | 120.5° | 120.0° |
| C12 | N18 | H10 | 119.3° | 120.0° |
| C26 | C21 | C10 | 119.8° | 119.9° |
| C26 | C21 | H2 | 120.1° | 120.0° |
| C31 | C30 | C10 | 119.6° | 119.9° |
| C31 | C30 | H14 | 120.2° | 120.1° |
| C30 | C31 | H15 | 119.9° | 119.9° |
| C35 | C34 | C29 | 120.2° | 120.0° |
| C34 | C35 | C37 | 119.8° | 120.1° |
| C35 | C34 | H18 | 119.9° | 120.0° |
| C34 | C35 | H19 | 120.1° | 120.0° |
| C34 | C29 | N17 | 118.9° | 120.1° |
| C34 | C29 | C33 | 119.8° | 119.8° |
| C29 | C34 | H18 | 119.9° | 120.0° |
| N17 | C12 | O23 | 120.8° | 120.0° |
| C12 | N17 | C29 | 123.2° | 120.0° |
| C12 | N17 | H9 | 118.4° | 120.0° |
| N17 | C29 | C33 | 121.3° | 120.1° |
| C29 | N17 | H9 | 118.4° | 120.0° |
| C35 | C37 | C36 | 120.1° | 120.1° |
| C37 | C35 | H19 | 120.1° | 120.0° |
| C35 | C37 | H21 | 119.9° | 119.9° |
| C29 | C33 | C36 | 119.7° | 119.9° |
| C29 | C33 | H17 | 120.2° | 120.0° |
| C21 | C10 | C30 | 120.3° | 119.9° |
| C21 | C10 | N3 | 118.9° | 120.0° |
| C10 | C21 | H2 | 120.1° | 120.1° |
| C30 | C10 | N3 | 120.7° | 120.1° |
| C10 | C30 | H14 | 120.2° | 120.1° |
| C37 | C36 | C33 | 120.4° | 120.1° |
| C37 | C36 | H20 | 119.8° | 119.9° |
| C36 | C37 | H21 | 120.0° | 120.0° |
| C36 | C33 | H17 | 120.1° | 120.1° |
| C33 | C36 | H20 | 119.8° | 120.0° |
| C10 | N3 | C2 | 125.7° | 125.8° |
| C10 | N3 | N4 | 125.8° | 125.8° |
| C2 | N3 | N4 | 108.5° | 108.4° |
| N3 | C2 | O24 | 125.4° | 126.4° |
| N3 | C2 | C1 | 107.3° | 107.2° |
| N3 | N4 | C7 | 109.1° | 109.2° |
| O24 | C2 | C1 | 127.3° | 126.4° |
| C2 | O24 | H4 | 109.5° | 114.0° |
| C2 | C1 | C7 | 106.8° | 107.0° |
| C2 | C1 | C5 | 125.9° | 126.5° |
| N4 | C7 | C1 | 108.3° | 108.2° |
| N4 | C7 | H1 | 125.8° | 126.0° |
| C7 | C1 | C5 | 127.3° | 126.5° |
| C1 | C7 | H1 | 125.9° | 125.9° |
| C1 | C5 | N13 | 117.6° | 120.1° |
| C1 | C5 | O20 | 120.5° | 120.0° |
| C5 | N13 | C19 | 125.4° | 120.0° |
| N13 | C5 | O20 | 121.8° | 120.0° |
| C5 | N13 | H6 | 117.3° | 119.9° |
| N13 | C19 | C28 | 118.1° | 119.8° |
| N13 | C19 | C16 | 121.9° | 119.8° |
| C19 | N13 | H6 | 117.3° | 120.0° |
| C19 | C28 | C25 | 121.6° | 120.9° |
| C28 | C19 | C16 | 119.9° | 120.4° |
| C19 | C28 | H3 | 119.2° | 119.5° |
| C28 | C25 | C15 | 119.6° | 119.8° |
| C25 | C28 | H3 | 119.2° | 119.5° |
| C28 | C25 | H11 | 120.2° | 120.1° |
| C19 | C16 | C6 | 119.2° | 119.3° |
| C19 | C16 | H8 | 120.4° | 120.3° |
| C25 | C15 | C6 | 119.3° | 119.5° |
| C25 | C15 | N11 | 121.3° | 121.5° |
| C15 | C25 | H11 | 120.2° | 120.1° |
| C16 | C6 | C15 | 120.4° | 120.0° |
| C16 | C6 | C8 | 122.0° | 121.9° |
| C6 | C16 | H8 | 120.4° | 120.3° |
| C6 | C15 | N11 | 119.4° | 119.0° |
| C15 | C6 | C8 | 117.6° | 118.1° |
| C15 | N11 | C14 | 121.6° | 121.6° |
| C6 | C8 | O22 | 121.4° | 121.3° |
| C6 | C8 | N9 | 117.5° | 117.4° |
| N11 | C14 | N9 | 123.2° | 123.3° |
| N11 | C14 | H7 | 118.4° | 118.3° |
| O22 | C8 | N9 | 121.1° | 121.3° |
| C8 | N9 | C14 | 120.8° | 120.6° |
| C8 | N9 | H5 | 119.6° | 119.7° |
| C14 | N9 | H5 | 119.6° | 119.7° |
| N9 | C14 | H7 | 118.4° | 118.3° |
| H12 | C27 | H13 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N18 | C27 | C26 | H12 | 120.6° | 119.9° |
| N18 | C27 | C26 | H13 | 120.6° | 120.0° |
| N18 | C27 | C26 | C32 | 124.0° | 90.0° |
| C27 | N18 | C12 | H10 | 180.0° | 179.9° |
| N18 | C27 | C26 | C21 | 57.2° | 90.1° |
| C27 | N18 | C12 | N17 | 179.1° | 180.0° |
| C27 | N18 | C12 | O23 | 1.4° | 0.0° |
| N18 | C27 | H12 | H13 | 118.1° | 120.0° |
| C27 | C26 | C32 | C21 | 178.8° | 180.0° |
| C27 | C26 | C32 | C31 | 179.4° | 179.8° |
| C26 | C27 | N18 | C12 | 119.5° | 180.0° |
| C27 | C26 | C21 | C10 | 179.1° | 180.0° |
| C27 | C26 | C21 | H2 | 0.9° | 0.0° |
| C26 | C27 | N18 | H10 | 60.5° | 0.1° |
| C26 | C27 | H12 | H13 | 118.1° | 120.1° |
| C27 | C26 | C32 | H16 | 0.6° | 0.1° |
| C26 | C32 | C31 | H16 | 180.0° | 179.7° |
| C26 | C32 | C31 | C30 | 0.6° | 0.3° |
| C32 | C26 | C21 | C10 | 0.3° | 0.0° |
| C32 | C26 | C21 | H2 | 179.7° | 179.9° |
| C32 | C26 | C27 | H12 | 3.4° | 29.9° |
| C32 | C26 | C27 | H13 | 115.4° | 150.0° |
| C26 | C32 | C31 | H15 | 179.4° | 179.7° |
| C31 | C32 | C26 | C21 | 0.6° | 0.3° |
| C32 | C31 | C30 | H15 | 180.0° | 180.0° |
| C32 | C31 | C30 | C10 | 0.2° | 0.0° |
| C32 | C31 | C30 | H14 | 179.8° | 180.0° |
| N18 | C12 | N17 | O23 | 179.6° | 180.0° |
| N18 | C12 | N17 | C29 | 180.0° | 175.4° |
| N18 | C12 | N17 | H9 | 0.1° | 4.7° |
| C12 | N18 | C27 | H12 | 119.9° | 60.1° |
| C12 | N18 | C27 | H13 | 1.1° | 59.9° |
| C26 | C21 | C10 | H2 | 180.0° | 179.9° |
| C26 | C21 | C10 | C30 | 0.1° | 0.3° |
| C26 | C21 | C10 | N3 | 179.8° | 180.0° |
| C21 | C26 | C27 | H12 | 177.8° | 150.0° |
| C21 | C26 | C27 | H13 | 63.4° | 30.0° |
| C21 | C26 | C32 | H16 | 179.4° | 180.0° |
| C31 | C30 | C10 | C21 | 0.1° | 0.3° |
| C31 | C30 | C10 | H14 | 180.0° | 180.0° |
| C31 | C30 | C10 | N3 | 179.9° | 180.0° |
| C30 | C31 | C32 | H16 | 179.4° | 180.0° |
| C35 | C34 | C29 | H18 | 180.0° | 180.0° |
| C35 | C34 | C29 | N17 | 179.7° | 180.0° |
| C34 | C35 | C37 | H19 | 180.0° | 179.9° |
| C35 | C34 | C29 | C33 | 0.2° | 0.3° |
| C34 | C35 | C37 | C36 | 0.1° | 0.2° |
| C34 | C35 | C37 | H21 | 179.9° | 179.9° |
| C34 | C29 | N17 | C12 | 121.8° | 35.7° |
| C34 | C29 | N17 | C33 | 179.5° | 179.7° |
| C29 | C34 | C35 | C37 | 0.0° | 0.0° |
| C34 | C29 | C33 | C36 | 0.2° | 0.2° |
| C34 | C29 | N17 | H9 | 58.2° | 144.3° |
| C34 | C29 | C33 | H17 | 179.8° | 179.7° |
| C29 | C34 | C35 | H19 | 180.0° | 180.0° |
| C12 | N17 | C29 | H9 | 180.0° | 180.0° |
| C12 | N17 | C29 | C33 | 58.7° | 144.6° |
| N17 | C12 | N18 | H10 | 0.9° | 0.0° |
| O23 | C12 | N17 | C29 | 0.5° | 4.6° |
| O23 | C12 | N17 | H9 | 179.5° | 175.4° |
| O23 | C12 | N18 | H10 | 178.6° | 179.9° |
| N17 | C29 | C33 | C36 | 179.7° | 180.0° |
| N17 | C29 | C33 | H17 | 0.3° | 0.0° |
| N17 | C29 | C34 | H18 | 0.3° | 0.0° |
| C35 | C37 | C36 | H21 | 180.0° | 179.7° |
| C35 | C37 | C36 | C33 | 0.1° | 0.2° |
| C37 | C35 | C34 | H18 | 180.0° | 179.9° |
| C35 | C37 | C36 | H20 | 179.9° | 179.8° |
| C29 | C33 | C36 | C37 | 0.1° | 0.0° |
| C29 | C33 | C36 | H17 | 180.0° | 180.0° |
| C33 | C29 | N17 | H9 | 121.3° | 35.4° |
| C33 | C29 | C34 | H18 | 179.8° | 179.7° |
| C29 | C33 | C36 | H20 | 179.9° | 180.0° |
| C21 | C10 | C30 | N3 | 179.7° | 179.7° |
| C21 | C10 | N3 | C2 | 138.1° | 145.0° |
| C21 | C10 | N3 | N4 | 41.4° | 35.3° |
| C21 | C10 | C30 | H14 | 179.9° | 179.7° |
| C30 | C10 | N3 | C2 | 41.7° | 35.2° |
| C30 | C10 | N3 | N4 | 138.8° | 144.4° |
| C30 | C10 | C21 | H2 | 179.9° | 179.8° |
| C10 | C30 | C31 | H15 | 179.8° | 180.0° |
| C37 | C36 | C33 | H20 | 180.0° | 180.0° |
| C37 | C36 | C33 | H17 | 180.0° | 180.0° |
| C36 | C37 | C35 | H19 | 179.9° | 179.7° |
| C33 | C36 | C37 | H21 | 179.9° | 179.9° |
| C10 | N3 | C2 | N4 | 179.6° | 179.7° |
| C10 | N3 | C2 | O24 | 0.5° | 0.3° |
| C10 | N3 | C2 | C1 | 179.6° | 179.7° |
| C10 | N3 | N4 | C7 | 179.5° | 179.7° |
| N3 | C10 | C21 | H2 | 0.2° | 0.1° |
| N3 | C10 | C30 | H14 | 0.1° | 0.0° |
| N3 | C2 | O24 | C1 | 179.9° | 179.9° |
| C2 | N3 | N4 | C7 | 0.0° | 0.0° |
| N3 | C2 | C1 | C7 | 0.0° | 0.0° |
| N3 | C2 | C1 | C5 | 179.9° | 180.0° |
| N3 | C2 | O24 | H4 | 180.0° | 90.1° |
| N4 | N3 | C2 | O24 | 179.9° | 179.9° |
| N4 | N3 | C2 | C1 | 0.0° | 0.0° |
| N3 | N4 | C7 | C1 | 0.1° | 0.0° |
| N3 | N4 | C7 | H1 | 180.0° | 180.0° |
| O24 | C2 | C1 | C7 | 179.9° | 180.0° |
| O24 | C2 | C1 | C5 | 0.2° | 0.1° |
| C2 | C1 | C7 | N4 | 0.1° | 0.0° |
| C2 | C1 | C7 | C5 | 179.8° | 179.9° |
| C2 | C1 | C5 | N13 | 4.7° | 179.9° |
| C2 | C1 | C5 | O20 | 175.5° | 0.0° |
| C2 | C1 | C7 | H1 | 180.0° | 180.0° |
| C1 | C2 | O24 | H4 | 0.1° | 90.0° |
| N4 | C7 | C1 | H1 | 180.0° | 179.9° |
| N4 | C7 | C1 | C5 | 179.9° | 180.0° |
| C7 | C1 | C5 | N13 | 175.1° | 0.0° |
| C7 | C1 | C5 | O20 | 4.7° | 179.9° |
| C1 | C5 | N13 | O20 | 179.7° | 179.9° |
| C1 | C5 | N13 | C19 | 179.8° | 174.9° |
| C5 | C1 | C7 | H1 | 0.1° | 0.1° |
| C1 | C5 | N13 | H6 | 0.2° | 5.0° |
| C5 | N13 | C19 | H6 | 180.0° | 179.9° |
| C5 | N13 | C19 | C28 | 139.2° | 146.5° |
| C5 | N13 | C19 | C16 | 41.6° | 33.7° |
| C19 | N13 | C5 | O20 | 0.5° | 5.2° |
| N13 | C19 | C28 | C16 | 179.2° | 179.8° |
| N13 | C19 | C28 | C25 | 179.7° | 179.9° |
| N13 | C19 | C16 | C6 | 179.5° | 179.7° |
| N13 | C19 | C28 | H3 | 0.3° | 0.0° |
| N13 | C19 | C16 | H8 | 0.5° | 0.2° |
| O20 | C5 | N13 | H6 | 179.5° | 174.9° |
| C19 | C28 | C25 | H3 | 180.0° | 180.0° |
| C19 | C28 | C25 | C15 | 0.4° | 0.3° |
| C28 | C19 | C16 | C6 | 0.3° | 0.1° |
| C28 | C19 | N13 | H6 | 40.8° | 33.6° |
| C28 | C19 | C16 | H8 | 179.7° | 180.0° |
| C19 | C28 | C25 | H11 | 179.6° | 180.0° |
| C25 | C28 | C19 | C16 | 0.4° | 0.2° |
| C28 | C25 | C15 | H11 | 180.0° | 179.7° |
| C28 | C25 | C15 | C6 | 0.2° | 0.0° |
| C28 | C25 | C15 | N11 | 179.7° | 180.0° |
| C19 | C16 | C6 | H8 | 180.0° | 179.9° |
| C19 | C16 | C6 | C15 | 0.2° | 0.3° |
| C19 | C16 | C6 | C8 | 179.9° | 180.0° |
| C16 | C19 | C28 | H3 | 179.6° | 179.8° |
| C16 | C19 | N13 | H6 | 138.4° | 146.2° |
| C25 | C15 | C6 | C16 | 0.1° | 0.3° |
| C25 | C15 | C6 | N11 | 179.5° | 180.0° |
| C25 | C15 | C6 | C8 | 180.0° | 180.0° |
| C25 | C15 | N11 | C14 | 179.3° | 180.0° |
| C15 | C25 | C28 | H3 | 179.6° | 179.7° |
| C16 | C6 | C15 | C8 | 179.9° | 179.7° |
| C16 | C6 | C15 | N11 | 179.7° | 179.7° |
| C16 | C6 | C8 | O22 | 1.0° | 0.3° |
| C16 | C6 | C8 | N9 | 179.5° | 179.7° |
| C6 | C15 | N11 | C14 | 0.3° | 0.1° |
| C15 | C6 | C8 | O22 | 178.9° | 180.0° |
| C15 | C6 | C8 | N9 | 0.6° | 0.0° |
| C15 | C6 | C16 | H8 | 179.8° | 179.8° |
| C6 | C15 | C25 | H11 | 179.8° | 179.8° |
| N11 | C15 | C6 | C8 | 0.5° | 0.0° |
| C15 | N11 | C14 | N9 | 0.9° | 0.1° |
| C15 | N11 | C14 | H7 | 179.1° | 180.0° |
| N11 | C15 | C25 | H11 | 0.2° | 0.3° |
| C6 | C8 | O22 | N9 | 179.4° | 180.0° |
| C6 | C8 | N9 | C14 | 0.0° | 0.0° |
| C6 | C8 | N9 | H5 | 180.0° | 180.0° |
| C8 | C6 | C16 | H8 | 0.1° | 0.1° |
| N11 | C14 | N9 | C8 | 0.8° | 0.1° |
| N11 | C14 | N9 | H7 | 180.0° | 179.9° |
| N11 | C14 | N9 | H5 | 179.3° | 179.9° |
| O22 | C8 | N9 | C14 | 179.4° | 180.0° |
| O22 | C8 | N9 | H5 | 0.6° | 0.0° |
| C8 | N9 | C14 | H5 | 180.0° | 180.0° |
| C8 | N9 | C14 | H7 | 179.3° | 180.0° |
| H3 | C28 | C25 | H11 | 0.4° | 0.0° |
| H5 | N9 | C14 | H7 | 0.7° | 0.0° |
| H10 | N18 | C27 | H12 | 60.1° | 120.0° |
| H10 | N18 | C27 | H13 | 178.9° | 120.0° |
| H14 | C30 | C31 | H15 | 0.2° | 0.0° |
| H15 | C31 | C32 | H16 | 0.6° | 0.0° |
| H17 | C33 | C36 | H20 | 0.1° | 0.1° |
| H18 | C34 | C35 | H19 | 0.0° | 0.0° |
| H19 | C35 | C37 | H21 | 0.1° | 0.0° |
| H20 | C36 | C37 | H21 | 0.1° | 0.1° |
