6ZM
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C23 | doub | 1.38Å | 1.38Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.38Å | Aromatic |
| C23 | C17 | sing | 1.39Å | 1.38Å | Aromatic |
| C21 | C20 | doub | 1.38Å | 1.38Å | Aromatic |
| C17 | C16 | sing | 1.51Å | 1.48Å | |
| C17 | C18 | doub | 1.38Å | 1.37Å | Aromatic |
| C20 | C18 | sing | 1.38Å | 1.38Å | Aromatic |
| C16 | C15 | sing | 1.54Å | 1.53Å | |
| C18 | C19 | sing | 1.52Å | 1.49Å | |
| C19 | C15 | sing | 1.54Å | 1.53Å | |
| C15 | N1 | sing | 1.47Å | 1.46Å | |
| N1 | C2 | sing | 1.38Å | 1.41Å | |
| C2 | N11 | doub | 1.32Å | 1.35Å | Aromatic |
| C2 | N3 | sing | 1.33Å | 1.34Å | Aromatic |
| N11 | C10 | sing | 1.33Å | 1.34Å | Aromatic |
| N3 | C4 | doub | 1.32Å | 1.33Å | Aromatic |
| C10 | C9 | sing | 1.50Å | 1.50Å | |
| C10 | C5 | doub | 1.38Å | 1.38Å | Aromatic |
| C4 | C5 | sing | 1.39Å | 1.37Å | Aromatic |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C5 | C6 | sing | 1.51Å | 1.49Å | |
| C8 | N7 | sing | 1.47Å | 1.45Å | |
| C6 | N7 | sing | 1.47Å | 1.45Å | |
| N7 | C12 | sing | 1.35Å | 1.40Å | |
| C12 | O13 | doub | 1.21Å | 1.23Å | |
| C12 | C14 | sing | 1.51Å | 1.50Å | |
| C6 | H1 | sing | 1.09Å | 1.10Å | |
| C6 | H2 | sing | 1.09Å | 1.10Å | |
| N1 | H3 | sing | 0.97Å | 1.00Å | |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C8 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C9 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.09Å | 1.10Å | |
| C14 | H9 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C15 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C16 | H14 | sing | 1.09Å | 1.10Å | |
| C19 | H15 | sing | 1.09Å | 1.10Å | |
| C19 | H16 | sing | 1.09Å | 1.10Å | |
| C20 | H17 | sing | 1.08Å | 1.08Å | |
| C21 | H18 | sing | 1.08Å | 1.08Å | |
| C22 | H19 | sing | 1.08Å | 1.08Å | |
| C23 | H20 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C23 | C22 | C21 | 119.8° | 119.9° |
| C22 | C23 | C17 | 118.6° | 120.2° |
| C23 | C22 | H19 | 120.1° | 120.1° |
| C22 | C23 | H20 | 120.7° | 119.9° |
| C22 | C21 | C20 | 121.9° | 119.9° |
| C22 | C21 | H18 | 119.1° | 120.1° |
| C21 | C22 | H19 | 120.1° | 120.0° |
| C23 | C17 | C16 | 126.6° | 130.4° |
| C23 | C17 | C18 | 121.2° | 119.8° |
| C17 | C23 | H20 | 120.7° | 119.9° |
| C21 | C20 | C18 | 117.5° | 120.2° |
| C21 | C20 | H17 | 121.3° | 119.9° |
| C20 | C21 | H18 | 119.0° | 120.0° |
| C16 | C17 | C18 | 112.1° | 109.8° |
| C17 | C16 | C15 | 100.6° | 105.1° |
| C17 | C16 | H13 | 111.7° | 110.3° |
| C17 | C16 | H14 | 111.6° | 110.4° |
| C17 | C18 | C20 | 121.1° | 119.9° |
| C17 | C18 | C19 | 111.9° | 109.8° |
| C20 | C18 | C19 | 127.0° | 130.3° |
| C18 | C20 | H17 | 121.3° | 119.9° |
| C16 | C15 | C19 | 108.2° | 102.6° |
| C16 | C15 | N1 | 113.0° | 110.8° |
| C16 | C15 | H12 | 108.1° | 110.8° |
| C15 | C16 | H13 | 111.6° | 110.3° |
| C15 | C16 | H14 | 111.6° | 110.3° |
| C18 | C19 | C15 | 100.3° | 105.0° |
| C18 | C19 | H15 | 111.7° | 110.3° |
| C18 | C19 | H16 | 111.7° | 110.3° |
| C19 | C15 | N1 | 110.2° | 110.8° |
| C19 | C15 | H12 | 108.1° | 110.8° |
| C15 | C19 | H15 | 111.7° | 110.6° |
| C15 | C19 | H16 | 111.7° | 110.1° |
| C15 | N1 | C2 | 117.1° | 120.0° |
| C15 | N1 | H3 | 107.5° | 120.0° |
| N1 | C15 | H12 | 109.1° | 110.7° |
| N1 | C2 | N11 | 122.4° | 119.3° |
| N1 | C2 | N3 | 113.8° | 119.2° |
| C2 | N1 | H3 | 107.6° | 120.0° |
| N11 | C2 | N3 | 123.8° | 121.5° |
| C2 | N11 | C10 | 118.3° | 121.1° |
| C2 | N3 | C4 | 116.5° | 120.5° |
| N11 | C10 | C9 | 117.8° | 118.3° |
| N11 | C10 | C5 | 121.2° | 118.8° |
| N3 | C4 | C5 | 123.7° | 119.3° |
| N3 | C4 | H4 | 118.1° | 120.3° |
| C9 | C10 | C5 | 121.0° | 122.9° |
| C10 | C9 | C8 | 114.3° | 110.8° |
| C10 | C9 | H7 | 108.2° | 109.2° |
| C10 | C9 | H8 | 108.2° | 109.2° |
| C10 | C5 | C4 | 116.5° | 118.8° |
| C10 | C5 | C6 | 122.3° | 122.6° |
| C4 | C5 | C6 | 121.1° | 118.7° |
| C5 | C4 | H4 | 118.2° | 120.4° |
| C9 | C8 | N7 | 112.3° | 108.0° |
| C9 | C8 | H5 | 108.7° | 109.7° |
| C9 | C8 | H6 | 108.7° | 109.8° |
| C8 | C9 | H7 | 108.3° | 109.2° |
| C8 | C9 | H8 | 108.2° | 109.2° |
| C5 | C6 | N7 | 111.0° | 109.5° |
| C5 | C6 | H1 | 109.1° | 109.5° |
| C5 | C6 | H2 | 109.1° | 109.4° |
| C8 | N7 | C6 | 115.5° | 117.4° |
| C8 | N7 | C12 | 121.6° | 121.3° |
| N7 | C8 | H5 | 108.8° | 109.7° |
| N7 | C8 | H6 | 108.8° | 109.7° |
| C6 | N7 | C12 | 121.6° | 121.3° |
| N7 | C6 | H1 | 109.1° | 109.5° |
| N7 | C6 | H2 | 109.1° | 109.5° |
| N7 | C12 | O13 | 126.6° | 120.0° |
| N7 | C12 | C14 | 115.1° | 120.0° |
| O13 | C12 | C14 | 118.3° | 120.0° |
| C12 | C14 | H9 | 109.5° | 109.4° |
| C12 | C14 | H10 | 109.5° | 109.5° |
| C12 | C14 | H11 | 109.5° | 109.5° |
| H1 | C6 | H2 | 109.5° | 109.5° |
| H5 | C8 | H6 | 109.5° | 109.8° |
| H7 | C9 | H8 | 109.5° | 109.2° |
| H9 | C14 | H10 | 109.5° | 109.4° |
| H9 | C14 | H11 | 109.5° | 109.5° |
| H10 | C14 | H11 | 109.5° | 109.5° |
| H13 | C16 | H14 | 109.5° | 110.3° |
| H15 | C19 | H16 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C23 | C22 | C21 | H19 | 180.0° | 180.0° |
| C22 | C23 | C17 | H20 | 180.0° | 180.0° |
| C23 | C22 | C21 | C20 | 1.2° | 0.0° |
| C22 | C23 | C17 | C16 | 177.2° | 180.0° |
| C22 | C23 | C17 | C18 | 0.1° | 0.0° |
| C23 | C22 | C21 | H18 | 178.8° | 180.0° |
| C21 | C22 | C23 | C17 | 1.3° | 0.0° |
| C22 | C21 | C20 | H18 | 180.0° | 180.0° |
| C22 | C21 | C20 | C18 | 0.2° | 0.0° |
| C22 | C21 | C20 | H17 | 179.8° | 180.0° |
| C21 | C22 | C23 | H20 | 178.7° | 180.0° |
| C23 | C17 | C16 | C18 | 177.3° | 180.0° |
| C23 | C17 | C18 | C20 | 1.5° | 0.1° |
| C23 | C17 | C16 | C15 | 162.5° | 162.8° |
| C23 | C17 | C18 | C19 | 178.5° | 179.9° |
| C23 | C17 | C16 | H13 | 44.0° | 78.3° |
| C23 | C17 | C16 | H14 | 78.9° | 43.8° |
| C17 | C23 | C22 | H19 | 178.7° | 180.0° |
| C21 | C20 | C18 | C17 | 1.6° | 0.0° |
| C21 | C20 | C18 | H17 | 180.0° | 180.0° |
| C21 | C20 | C18 | C19 | 178.4° | 179.9° |
| C20 | C21 | C22 | H19 | 178.8° | 180.0° |
| C16 | C17 | C18 | C20 | 179.1° | 180.0° |
| C17 | C16 | C15 | H13 | 118.6° | 118.9° |
| C17 | C16 | C15 | H14 | 118.6° | 119.0° |
| C16 | C17 | C18 | C19 | 1.0° | 0.1° |
| C17 | C16 | C15 | C19 | 24.8° | 26.3° |
| C17 | C16 | C15 | N1 | 147.2° | 144.6° |
| C17 | C16 | C15 | H12 | 92.0° | 92.1° |
| C17 | C16 | H13 | H14 | 124.1° | 122.2° |
| C16 | C17 | C23 | H20 | 2.8° | 0.0° |
| C17 | C18 | C20 | C19 | 180.0° | 179.9° |
| C18 | C17 | C16 | C15 | 14.8° | 17.2° |
| C17 | C18 | C19 | C15 | 16.3° | 17.0° |
| C18 | C17 | C16 | H13 | 133.4° | 101.8° |
| C18 | C17 | C16 | H14 | 103.7° | 136.2° |
| C17 | C18 | C19 | H15 | 102.2° | 136.1° |
| C17 | C18 | C19 | H16 | 134.7° | 101.7° |
| C17 | C18 | C20 | H17 | 178.4° | 180.0° |
| C18 | C17 | C23 | H20 | 180.0° | 180.0° |
| C20 | C18 | C19 | C15 | 163.8° | 162.9° |
| C20 | C18 | C19 | H15 | 77.8° | 43.8° |
| C20 | C18 | C19 | H16 | 45.3° | 78.4° |
| C18 | C20 | C21 | H18 | 179.8° | 180.0° |
| C16 | C15 | C19 | C18 | 25.3° | 26.1° |
| C16 | C15 | C19 | N1 | 124.0° | 118.3° |
| C16 | C15 | C19 | H12 | 116.8° | 118.3° |
| C16 | C15 | N1 | H12 | 120.3° | 123.4° |
| C16 | C15 | N1 | C2 | 89.1° | 157.7° |
| C16 | C15 | N1 | H3 | 32.0° | 22.3° |
| C15 | C16 | H13 | H14 | 124.1° | 122.1° |
| C16 | C15 | C19 | H15 | 93.2° | 145.1° |
| C16 | C15 | C19 | H16 | 143.8° | 92.6° |
| C18 | C19 | C15 | H15 | 118.5° | 118.9° |
| C18 | C19 | C15 | H16 | 118.5° | 118.8° |
| C18 | C19 | C15 | N1 | 149.3° | 144.4° |
| C18 | C19 | C15 | H12 | 91.5° | 92.2° |
| C18 | C19 | H15 | H16 | 124.3° | 122.1° |
| C19 | C18 | C20 | H17 | 1.6° | 0.1° |
| C19 | C15 | N1 | H12 | 118.5° | 123.4° |
| C19 | C15 | N1 | C2 | 149.6° | 89.1° |
| C19 | C15 | N1 | H3 | 89.2° | 90.9° |
| C19 | C15 | C16 | H13 | 143.4° | 92.6° |
| C19 | C15 | C16 | H14 | 93.7° | 145.3° |
| C15 | C19 | H15 | H16 | 124.3° | 122.2° |
| C15 | N1 | C2 | H3 | 121.1° | 180.0° |
| C15 | N1 | C2 | N11 | 6.1° | 180.0° |
| C15 | N1 | C2 | N3 | 175.3° | 0.0° |
| N1 | C15 | C16 | H13 | 94.3° | 25.7° |
| N1 | C15 | C16 | H14 | 28.6° | 96.4° |
| N1 | C15 | C19 | H15 | 30.8° | 96.6° |
| N1 | C15 | C19 | H16 | 92.2° | 25.7° |
| N1 | C2 | N11 | N3 | 178.4° | 180.0° |
| N1 | C2 | N11 | C10 | 179.9° | 179.9° |
| N1 | C2 | N3 | C4 | 179.5° | 179.8° |
| C2 | N1 | C15 | H12 | 31.1° | 34.3° |
| N11 | C2 | N3 | C4 | 1.0° | 0.2° |
| C2 | N11 | C10 | C9 | 179.6° | 179.6° |
| C2 | N11 | C10 | C5 | 0.7° | 0.3° |
| N11 | C2 | N1 | H3 | 115.0° | 0.0° |
| N3 | C2 | N11 | C10 | 1.5° | 0.1° |
| C2 | N3 | C4 | C5 | 0.4° | 0.1° |
| N3 | C2 | N1 | H3 | 63.6° | 180.0° |
| C2 | N3 | C4 | H4 | 179.6° | 180.0° |
| N11 | C10 | C9 | C5 | 179.7° | 179.8° |
| N11 | C10 | C5 | C4 | 0.6° | 0.4° |
| N11 | C10 | C9 | C8 | 174.5° | 160.6° |
| N11 | C10 | C5 | C6 | 179.5° | 179.4° |
| N11 | C10 | C9 | H7 | 64.8° | 40.2° |
| N11 | C10 | C9 | H8 | 53.8° | 79.1° |
| N3 | C4 | C5 | C10 | 1.1° | 0.3° |
| N3 | C4 | C5 | H4 | 180.0° | 179.9° |
| N3 | C4 | C5 | C6 | 180.0° | 179.5° |
| C9 | C10 | C5 | C4 | 179.2° | 179.4° |
| C10 | C9 | C8 | H7 | 120.7° | 120.3° |
| C10 | C9 | C8 | H8 | 120.7° | 120.3° |
| C9 | C10 | C5 | C6 | 0.3° | 0.8° |
| C10 | C9 | C8 | N7 | 31.8° | 47.2° |
| C10 | C9 | C8 | H5 | 152.2° | 72.3° |
| C10 | C9 | C8 | H6 | 88.6° | 166.8° |
| C10 | C9 | H7 | H8 | 117.8° | 119.3° |
| C10 | C5 | C4 | C6 | 178.9° | 179.8° |
| C5 | C10 | C9 | C8 | 5.3° | 19.6° |
| C10 | C5 | C6 | N7 | 21.6° | 11.1° |
| C10 | C5 | C6 | H1 | 98.6° | 108.9° |
| C10 | C5 | C6 | H2 | 141.8° | 131.1° |
| C10 | C5 | C4 | H4 | 178.9° | 179.6° |
| C5 | C10 | C9 | H7 | 115.5° | 139.9° |
| C5 | C10 | C9 | H8 | 126.0° | 100.7° |
| C4 | C5 | C6 | N7 | 159.5° | 169.0° |
| C4 | C5 | C6 | H1 | 80.2° | 70.9° |
| C4 | C5 | C6 | H2 | 39.3° | 49.0° |
| C9 | C8 | N7 | H5 | 120.4° | 119.6° |
| C9 | C8 | N7 | H6 | 120.4° | 119.7° |
| C9 | C8 | N7 | C6 | 56.7° | 64.2° |
| C9 | C8 | N7 | C12 | 110.1° | 115.8° |
| C9 | C8 | H5 | H6 | 118.7° | 120.8° |
| C8 | C9 | H7 | H8 | 117.8° | 119.4° |
| C5 | C6 | N7 | C8 | 50.4° | 44.3° |
| C5 | C6 | N7 | H1 | 120.2° | 120.0° |
| C5 | C6 | N7 | H2 | 120.2° | 120.0° |
| C5 | C6 | N7 | C12 | 116.4° | 135.7° |
| C5 | C6 | H1 | H2 | 119.3° | 120.0° |
| C6 | C5 | C4 | H4 | 0.0° | 0.5° |
| C8 | N7 | C6 | C12 | 166.8° | 180.0° |
| C8 | N7 | C12 | O13 | 7.7° | 5.5° |
| C8 | N7 | C12 | C14 | 172.2° | 174.4° |
| C8 | N7 | C6 | H1 | 69.8° | 75.7° |
| C8 | N7 | C6 | H2 | 170.6° | 164.3° |
| N7 | C8 | H5 | H6 | 118.7° | 120.7° |
| N7 | C8 | C9 | H7 | 89.0° | 167.5° |
| N7 | C8 | C9 | H8 | 152.5° | 73.1° |
| C6 | N7 | C12 | O13 | 173.7° | 174.5° |
| C6 | N7 | C12 | C14 | 6.2° | 5.6° |
| N7 | C6 | H1 | H2 | 119.3° | 120.0° |
| C6 | N7 | C8 | H5 | 177.1° | 55.3° |
| C6 | N7 | C8 | H6 | 63.7° | 176.1° |
| N7 | C12 | O13 | C14 | 179.9° | 180.0° |
| C12 | N7 | C6 | H1 | 123.4° | 104.3° |
| C12 | N7 | C6 | H2 | 3.8° | 15.8° |
| C12 | N7 | C8 | H5 | 10.3° | 124.7° |
| C12 | N7 | C8 | H6 | 129.5° | 3.9° |
| N7 | C12 | C14 | H9 | 179.9° | 4.9° |
| N7 | C12 | C14 | H10 | 60.0° | 124.9° |
| N7 | C12 | C14 | H11 | 59.9° | 115.1° |
| O13 | C12 | C14 | H9 | 0.0° | 175.1° |
| O13 | C12 | C14 | H10 | 120.0° | 55.2° |
| O13 | C12 | C14 | H11 | 120.0° | 64.8° |
| C12 | C14 | H9 | H10 | 120.0° | 120.0° |
| C12 | C14 | H9 | H11 | 120.0° | 120.0° |
| C12 | C14 | H10 | H11 | 120.0° | 120.0° |
| H3 | N1 | C15 | H12 | 152.2° | 145.7° |
| H5 | C8 | C9 | H7 | 31.5° | 48.0° |
| H5 | C8 | C9 | H8 | 87.1° | 167.3° |
| H6 | C8 | C9 | H7 | 150.6° | 72.8° |
| H6 | C8 | C9 | H8 | 32.1° | 46.5° |
| H9 | C14 | H10 | H11 | 120.0° | 120.0° |
| H12 | C15 | C16 | H13 | 26.6° | 149.0° |
| H12 | C15 | C16 | H14 | 149.5° | 26.9° |
| H12 | C15 | C19 | H15 | 150.0° | 26.7° |
| H12 | C15 | C19 | H16 | 27.0° | 149.0° |
| H17 | C20 | C21 | H18 | 0.2° | 0.1° |
| H18 | C21 | C22 | H19 | 1.3° | 0.0° |
| H19 | C22 | C23 | H20 | 1.3° | 0.0° |
