7Z4
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C26 | N16 | sing | 1.47Å | 1.45Å | |
| C26 | C25 | sing | 1.51Å | 1.49Å | |
| C31 | C30 | doub | 1.38Å | 1.42Å | Aromatic |
| C31 | C25 | sing | 1.38Å | 1.41Å | Aromatic |
| N16 | C11 | sing | 1.35Å | 1.37Å | |
| C33 | C35 | doub | 1.38Å | 1.40Å | Aromatic |
| C33 | C28 | sing | 1.39Å | 1.40Å | Aromatic |
| C30 | C29 | sing | 1.38Å | 1.37Å | Aromatic |
| C25 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C11 | N14 | sing | 1.35Å | 1.33Å | |
| C11 | O22 | doub | 1.22Å | 1.24Å | |
| N14 | C28 | sing | 1.40Å | 1.42Å | |
| C35 | C36 | sing | 1.38Å | 1.40Å | Aromatic |
| C28 | C32 | doub | 1.39Å | 1.38Å | Aromatic |
| C29 | C10 | doub | 1.39Å | 1.41Å | Aromatic |
| C20 | C10 | sing | 1.39Å | 1.38Å | Aromatic |
| C36 | C34 | doub | 1.38Å | 1.38Å | Aromatic |
| C32 | C34 | sing | 1.38Å | 1.39Å | Aromatic |
| C10 | N3 | sing | 1.40Å | 1.36Å | |
| N3 | C2 | sing | 1.35Å | 1.33Å | Aromatic |
| N3 | N4 | sing | 1.40Å | 1.48Å | Aromatic |
| O23 | C2 | sing | 1.35Å | 1.32Å | |
| C2 | C1 | doub | 1.39Å | 1.39Å | Aromatic |
| N4 | C6 | doub | 1.30Å | 1.31Å | Aromatic |
| C6 | C1 | sing | 1.42Å | 1.45Å | Aromatic |
| C1 | C5 | sing | 1.47Å | 1.44Å | |
| N12 | C5 | sing | 1.35Å | 1.36Å | |
| N12 | C17 | sing | 1.39Å | 1.37Å | |
| C5 | O18 | doub | 1.22Å | 1.29Å | |
| C27 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C27 | C24 | doub | 1.39Å | 1.37Å | Aromatic |
| C17 | C15 | doub | 1.40Å | 1.40Å | Aromatic |
| C24 | C13 | sing | 1.39Å | 1.42Å | Aromatic |
| C15 | C9 | sing | 1.37Å | 1.38Å | Aromatic |
| C13 | C9 | doub | 1.41Å | 1.37Å | Aromatic |
| C13 | C19 | sing | 1.47Å | 1.50Å | |
| C9 | C7 | sing | 1.49Å | 1.48Å | |
| C19 | N8 | doub | 1.31Å | 1.51Å | |
| C7 | O21 | doub | 1.21Å | 1.25Å | |
| C7 | N8 | sing | 1.35Å | 1.33Å | |
| C6 | H1 | sing | 1.08Å | 1.08Å | |
| N12 | H2 | sing | 0.97Å | 1.00Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C20 | H4 | sing | 1.08Å | 1.08Å | |
| C24 | H5 | sing | 1.08Å | 1.08Å | |
| C26 | H6 | sing | 1.09Å | 1.10Å | |
| C26 | H7 | sing | 1.09Å | 1.10Å | |
| N14 | H9 | sing | 0.97Å | 1.00Å | |
| N16 | H10 | sing | 0.97Å | 1.00Å | |
| C19 | H11 | sing | 1.08Å | 1.08Å | |
| C27 | H12 | sing | 1.08Å | 1.08Å | |
| C29 | H13 | sing | 1.08Å | 1.08Å | |
| 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 | |
| O23 | H8 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N16 | C26 | C25 | 115.7° | 109.5° |
| C26 | N16 | C11 | 123.5° | 120.0° |
| N16 | C26 | H6 | 107.9° | 109.5° |
| N16 | C26 | H7 | 107.9° | 109.5° |
| C26 | N16 | H10 | 118.3° | 120.0° |
| C26 | C25 | C31 | 114.5° | 120.0° |
| C26 | C25 | C20 | 123.6° | 119.9° |
| C25 | C26 | H6 | 107.9° | 109.5° |
| C25 | C26 | H7 | 107.9° | 109.5° |
| C30 | C31 | C25 | 115.2° | 120.1° |
| C31 | C30 | C29 | 124.8° | 120.1° |
| C31 | C30 | H14 | 117.6° | 119.9° |
| C30 | C31 | H15 | 122.4° | 120.0° |
| C31 | C25 | C20 | 122.0° | 120.1° |
| C25 | C31 | H15 | 122.4° | 119.9° |
| N16 | C11 | N14 | 114.2° | 120.0° |
| N16 | C11 | O22 | 121.6° | 120.0° |
| C11 | N16 | H10 | 118.2° | 119.9° |
| C35 | C33 | C28 | 117.7° | 120.0° |
| C33 | C35 | C36 | 118.0° | 120.1° |
| C35 | C33 | H17 | 121.2° | 120.0° |
| C33 | C35 | H19 | 121.0° | 120.0° |
| C33 | C28 | N14 | 115.1° | 120.1° |
| C33 | C28 | C32 | 123.5° | 119.9° |
| C28 | C33 | H17 | 121.1° | 120.0° |
| C30 | C29 | C10 | 116.7° | 119.9° |
| C30 | C29 | H13 | 121.7° | 120.0° |
| C29 | C30 | H14 | 117.6° | 120.0° |
| C25 | C20 | C10 | 119.9° | 119.9° |
| C25 | C20 | H4 | 120.0° | 120.1° |
| N14 | C11 | O22 | 124.1° | 120.0° |
| C11 | N14 | C28 | 126.2° | 120.0° |
| C11 | N14 | H9 | 116.9° | 120.0° |
| N14 | C28 | C32 | 121.3° | 120.1° |
| C28 | N14 | H9 | 116.9° | 120.0° |
| C35 | C36 | C34 | 123.4° | 120.1° |
| C36 | C35 | H19 | 121.0° | 119.9° |
| C35 | C36 | H20 | 118.3° | 119.9° |
| C28 | C32 | C34 | 118.4° | 119.9° |
| C28 | C32 | H16 | 120.8° | 120.0° |
| C29 | C10 | C20 | 121.5° | 119.9° |
| C29 | C10 | N3 | 120.6° | 120.1° |
| C10 | C29 | H13 | 121.7° | 120.0° |
| C20 | C10 | N3 | 117.9° | 120.0° |
| C10 | C20 | H4 | 120.1° | 120.0° |
| C36 | C34 | C32 | 118.8° | 120.1° |
| C36 | C34 | H18 | 120.6° | 119.9° |
| C34 | C36 | H20 | 118.3° | 120.0° |
| C34 | C32 | H16 | 120.8° | 120.0° |
| C32 | C34 | H18 | 120.6° | 120.0° |
| C10 | N3 | C2 | 131.5° | 125.8° |
| C10 | N3 | N4 | 122.0° | 125.7° |
| C2 | N3 | N4 | 106.4° | 108.5° |
| N3 | C2 | O23 | 122.0° | 126.4° |
| N3 | C2 | C1 | 111.3° | 107.2° |
| N3 | N4 | C6 | 107.4° | 109.2° |
| O23 | C2 | C1 | 126.7° | 126.4° |
| C2 | O23 | H8 | 109.5° | 114.0° |
| C2 | C1 | C6 | 104.7° | 107.0° |
| C2 | C1 | C5 | 128.2° | 126.5° |
| N4 | C6 | C1 | 110.2° | 108.2° |
| N4 | C6 | H1 | 124.9° | 125.9° |
| C6 | C1 | C5 | 127.0° | 126.5° |
| C1 | C6 | H1 | 124.9° | 125.9° |
| C1 | C5 | N12 | 118.8° | 120.0° |
| C1 | C5 | O18 | 120.9° | 120.0° |
| C5 | N12 | C17 | 127.8° | 120.0° |
| N12 | C5 | O18 | 120.2° | 120.0° |
| C5 | N12 | H2 | 116.1° | 120.0° |
| N12 | C17 | C27 | 119.5° | 119.9° |
| N12 | C17 | C15 | 122.0° | 119.9° |
| C17 | N12 | H2 | 116.1° | 120.0° |
| C17 | C27 | C24 | 123.7° | 120.4° |
| C27 | C17 | C15 | 118.4° | 120.2° |
| C17 | C27 | H12 | 118.2° | 119.8° |
| C27 | C24 | C13 | 117.1° | 119.8° |
| C27 | C24 | H5 | 121.5° | 120.1° |
| C24 | C27 | H12 | 118.1° | 119.8° |
| C17 | C15 | C9 | 117.4° | 119.6° |
| C17 | C15 | H3 | 121.3° | 120.1° |
| C24 | C13 | C9 | 119.0° | 119.9° |
| C24 | C13 | C19 | 132.0° | 134.4° |
| C13 | C24 | H5 | 121.4° | 120.1° |
| C15 | C9 | C13 | 124.3° | 120.1° |
| C15 | C9 | C7 | 127.1° | 134.8° |
| C9 | C15 | H3 | 121.3° | 120.2° |
| C9 | C13 | C19 | 109.0° | 105.7° |
| C13 | C9 | C7 | 108.6° | 105.1° |
| C13 | C19 | N8 | 102.9° | 109.5° |
| C13 | C19 | H11 | 128.6° | 125.2° |
| C9 | C7 | O21 | 123.1° | 126.0° |
| C9 | C7 | N8 | 109.2° | 107.9° |
| C19 | N8 | C7 | 110.3° | 111.9° |
| N8 | C19 | H11 | 128.6° | 125.3° |
| O21 | C7 | N8 | 127.6° | 126.1° |
| H6 | C26 | H7 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N16 | C26 | C25 | H6 | 120.9° | 120.0° |
| N16 | C26 | C25 | H7 | 120.9° | 120.0° |
| N16 | C26 | C25 | C31 | 133.9° | 90.0° |
| C26 | N16 | C11 | H10 | 180.0° | 180.0° |
| N16 | C26 | C25 | C20 | 45.3° | 90.0° |
| C26 | N16 | C11 | N14 | 172.2° | 180.0° |
| C26 | N16 | C11 | O22 | 10.3° | 0.0° |
| N16 | C26 | H6 | H7 | 117.1° | 120.0° |
| C26 | C25 | C31 | C30 | 178.5° | 179.7° |
| C26 | C25 | C31 | C20 | 179.1° | 180.0° |
| C25 | C26 | N16 | C11 | 113.1° | 180.0° |
| C26 | C25 | C20 | C10 | 179.3° | 180.0° |
| C26 | C25 | C20 | H4 | 0.7° | 0.1° |
| C25 | C26 | H6 | H7 | 117.1° | 120.0° |
| C25 | C26 | N16 | H10 | 66.8° | 0.0° |
| C26 | C25 | C31 | H15 | 1.5° | 0.1° |
| C30 | C31 | C25 | H15 | 180.0° | 179.6° |
| C31 | C30 | C29 | H14 | 180.0° | 179.9° |
| C30 | C31 | C25 | C20 | 2.4° | 0.3° |
| C31 | C30 | C29 | C10 | 3.1° | 0.1° |
| C31 | C30 | C29 | H13 | 177.0° | 180.0° |
| C25 | C31 | C30 | C29 | 3.2° | 0.3° |
| C31 | C25 | C20 | C10 | 1.6° | 0.0° |
| C31 | C25 | C20 | H4 | 178.4° | 180.0° |
| C31 | C25 | C26 | H6 | 12.9° | 150.0° |
| C31 | C25 | C26 | H7 | 105.2° | 30.0° |
| C25 | C31 | C30 | H14 | 176.9° | 179.8° |
| N16 | C11 | N14 | O22 | 177.4° | 180.0° |
| N16 | C11 | N14 | C28 | 179.6° | 175.4° |
| C11 | N16 | C26 | H6 | 125.9° | 59.9° |
| C11 | N16 | C26 | H7 | 7.8° | 60.0° |
| N16 | C11 | N14 | H9 | 0.4° | 4.6° |
| C35 | C33 | C28 | H17 | 180.0° | 180.0° |
| C35 | C33 | C28 | N14 | 178.5° | 179.7° |
| C33 | C35 | C36 | H19 | 180.0° | 179.5° |
| C35 | C33 | C28 | C32 | 3.1° | 0.0° |
| C33 | C35 | C36 | C34 | 1.9° | 0.8° |
| C33 | C35 | C36 | H20 | 178.1° | 180.0° |
| C33 | C28 | N14 | C11 | 128.3° | 144.8° |
| C33 | C28 | N14 | C32 | 178.4° | 179.7° |
| C28 | C33 | C35 | C36 | 2.8° | 0.5° |
| C33 | C28 | C32 | C34 | 2.4° | 0.3° |
| C33 | C28 | N14 | H9 | 51.7° | 35.1° |
| C33 | C28 | C32 | H16 | 177.6° | 179.7° |
| C28 | C33 | C35 | H19 | 177.2° | 180.0° |
| C30 | C29 | C10 | H13 | 180.0° | 179.9° |
| C30 | C29 | C10 | C20 | 2.1° | 0.3° |
| C30 | C29 | C10 | N3 | 179.6° | 180.0° |
| C29 | C30 | C31 | H15 | 176.8° | 180.0° |
| C25 | C20 | C10 | C29 | 1.5° | 0.3° |
| C25 | C20 | C10 | H4 | 180.0° | 179.9° |
| C25 | C20 | C10 | N3 | 179.8° | 180.0° |
| C20 | C25 | C26 | H6 | 166.2° | 30.0° |
| C20 | C25 | C26 | H7 | 75.7° | 150.0° |
| C20 | C25 | C31 | H15 | 177.7° | 179.9° |
| C11 | N14 | C28 | H9 | 180.0° | 179.9° |
| C11 | N14 | C28 | C32 | 50.2° | 35.5° |
| N14 | C11 | N16 | H10 | 7.8° | 0.0° |
| O22 | C11 | N14 | C28 | 2.2° | 4.6° |
| O22 | C11 | N14 | H9 | 177.8° | 175.4° |
| O22 | C11 | N16 | H10 | 169.6° | 180.0° |
| N14 | C28 | C32 | C34 | 179.3° | 180.0° |
| N14 | C28 | C32 | H16 | 0.7° | 0.0° |
| N14 | C28 | C33 | H17 | 1.5° | 0.3° |
| C35 | C36 | C34 | H20 | 180.0° | 179.3° |
| C35 | C36 | C34 | C32 | 1.1° | 0.5° |
| C36 | C35 | C33 | H17 | 177.2° | 179.5° |
| C35 | C36 | C34 | H18 | 178.9° | 179.5° |
| C28 | C32 | C34 | C36 | 1.3° | 0.0° |
| C28 | C32 | C34 | H16 | 180.0° | 180.0° |
| C32 | C28 | N14 | H9 | 129.8° | 144.6° |
| C32 | C28 | C33 | H17 | 176.9° | 180.0° |
| C28 | C32 | C34 | H18 | 178.8° | 180.0° |
| C29 | C10 | C20 | N3 | 178.4° | 179.7° |
| C29 | C10 | N3 | C2 | 42.8° | 35.3° |
| C29 | C10 | N3 | N4 | 132.4° | 144.4° |
| C29 | C10 | C20 | H4 | 178.5° | 179.8° |
| C10 | C29 | C30 | H14 | 177.0° | 180.0° |
| C20 | C10 | N3 | C2 | 135.6° | 145.0° |
| C20 | C10 | N3 | N4 | 49.3° | 35.3° |
| C20 | C10 | C29 | H13 | 177.9° | 179.7° |
| C36 | C34 | C32 | H18 | 180.0° | 180.0° |
| C36 | C34 | C32 | H16 | 178.7° | 180.0° |
| C34 | C36 | C35 | H19 | 178.1° | 179.7° |
| C32 | C34 | C36 | H20 | 178.9° | 179.8° |
| C10 | N3 | C2 | N4 | 175.7° | 179.7° |
| C10 | N3 | C2 | O23 | 4.3° | 0.3° |
| C10 | N3 | C2 | C1 | 174.1° | 179.7° |
| C10 | N3 | N4 | C6 | 176.1° | 179.7° |
| N3 | C10 | C20 | H4 | 0.2° | 0.0° |
| N3 | C10 | C29 | H13 | 0.4° | 0.1° |
| N3 | C2 | O23 | C1 | 178.1° | 180.0° |
| C2 | N3 | N4 | C6 | 0.1° | 0.0° |
| N3 | C2 | C1 | C6 | 2.5° | 0.0° |
| N3 | C2 | C1 | C5 | 178.0° | 180.0° |
| N3 | C2 | O23 | H8 | 180.0° | 90.0° |
| N4 | N3 | C2 | O23 | 180.0° | 180.0° |
| N4 | N3 | C2 | C1 | 1.7° | 0.0° |
| N3 | N4 | C6 | C1 | 1.4° | 0.0° |
| N3 | N4 | C6 | H1 | 178.6° | 180.0° |
| O23 | C2 | C1 | C6 | 179.3° | 180.0° |
| O23 | C2 | C1 | C5 | 3.7° | 0.1° |
| C2 | C1 | C6 | N4 | 2.4° | 0.0° |
| C2 | C1 | C6 | C5 | 175.6° | 180.0° |
| C2 | C1 | C5 | N12 | 0.3° | 179.9° |
| C2 | C1 | C5 | O18 | 175.8° | 0.0° |
| C2 | C1 | C6 | H1 | 177.6° | 180.0° |
| C1 | C2 | O23 | H8 | 1.9° | 90.1° |
| N4 | C6 | C1 | H1 | 180.0° | 180.0° |
| N4 | C6 | C1 | C5 | 178.0° | 179.9° |
| C6 | C1 | C5 | N12 | 174.3° | 0.1° |
| C6 | C1 | C5 | O18 | 1.2° | 180.0° |
| C1 | C5 | N12 | O18 | 175.6° | 179.9° |
| C1 | C5 | N12 | C17 | 176.1° | 174.9° |
| C5 | C1 | C6 | H1 | 2.0° | 0.0° |
| C1 | C5 | N12 | H2 | 3.9° | 5.2° |
| C5 | N12 | C17 | H2 | 180.0° | 179.9° |
| C5 | N12 | C17 | C27 | 148.3° | 146.4° |
| C5 | N12 | C17 | C15 | 34.3° | 33.7° |
| C17 | N12 | C5 | O18 | 0.5° | 5.0° |
| N12 | C17 | C27 | C15 | 177.5° | 180.0° |
| N12 | C17 | C27 | C24 | 178.4° | 180.0° |
| N12 | C17 | C15 | C9 | 178.1° | 180.0° |
| N12 | C17 | C15 | H3 | 2.0° | 0.0° |
| N12 | C17 | C27 | H12 | 1.6° | 0.1° |
| O18 | C5 | N12 | H2 | 179.5° | 174.9° |
| C17 | C27 | C24 | H12 | 180.0° | 180.0° |
| C17 | C27 | C24 | C13 | 1.5° | 0.0° |
| C27 | C17 | C15 | C9 | 0.6° | 0.0° |
| C27 | C17 | N12 | H2 | 31.7° | 33.5° |
| C27 | C17 | C15 | H3 | 179.4° | 180.0° |
| C17 | C27 | C24 | H5 | 178.5° | 179.9° |
| C24 | C27 | C17 | C15 | 0.9° | 0.0° |
| C27 | C24 | C13 | H5 | 180.0° | 179.9° |
| C27 | C24 | C13 | C9 | 1.8° | 0.0° |
| C27 | C24 | C13 | C19 | 179.0° | 179.9° |
| C17 | C15 | C9 | H3 | 180.0° | 180.0° |
| C17 | C15 | C9 | C13 | 1.1° | 0.0° |
| C17 | C15 | C9 | C7 | 178.9° | 179.8° |
| C15 | C17 | N12 | H2 | 145.7° | 146.5° |
| C15 | C17 | C27 | H12 | 179.1° | 180.0° |
| C24 | C13 | C9 | C15 | 1.7° | 0.0° |
| C24 | C13 | C9 | C19 | 177.8° | 180.0° |
| C24 | C13 | C9 | C7 | 179.8° | 179.9° |
| C24 | C13 | C19 | N8 | 178.7° | 180.0° |
| C24 | C13 | C19 | H11 | 1.3° | 0.0° |
| C13 | C24 | C27 | H12 | 178.5° | 180.0° |
| C15 | C9 | C13 | C7 | 178.2° | 179.8° |
| C15 | C9 | C13 | C19 | 179.5° | 180.0° |
| C15 | C9 | C7 | O21 | 1.2° | 0.2° |
| C15 | C9 | C7 | N8 | 179.3° | 180.0° |
| C9 | C13 | C19 | N8 | 1.3° | 0.0° |
| C13 | C9 | C7 | O21 | 179.3° | 180.0° |
| C13 | C9 | C7 | N8 | 2.6° | 0.3° |
| C13 | C9 | C15 | H3 | 179.0° | 180.0° |
| C9 | C13 | C24 | H5 | 178.2° | 179.9° |
| C9 | C13 | C19 | H11 | 178.7° | 180.0° |
| C19 | C13 | C9 | C7 | 2.4° | 0.2° |
| C13 | C19 | N8 | H11 | 180.0° | 180.0° |
| C13 | C19 | N8 | C7 | 0.3° | 0.1° |
| C19 | C13 | C24 | H5 | 1.0° | 0.0° |
| C9 | C7 | N8 | C19 | 1.7° | 0.2° |
| C9 | C7 | O21 | N8 | 177.7° | 179.8° |
| C7 | C9 | C15 | H3 | 1.1° | 0.2° |
| C19 | N8 | C7 | O21 | 179.7° | 180.0° |
| C7 | N8 | C19 | H11 | 179.7° | 179.9° |
| H5 | C24 | C27 | H12 | 1.5° | 0.0° |
| H6 | C26 | N16 | H10 | 54.1° | 120.0° |
| H7 | C26 | N16 | H10 | 172.2° | 120.0° |
| H13 | C29 | C30 | H14 | 3.0° | 0.1° |
| H14 | C30 | C31 | H15 | 3.1° | 0.1° |
| H16 | C32 | C34 | H18 | 1.2° | 0.0° |
| H17 | C33 | C35 | H19 | 2.8° | 0.0° |
| H18 | C34 | C36 | H20 | 1.1° | 0.2° |
| H19 | C35 | C36 | H20 | 2.0° | 0.5° |
