RDN
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C13 | N4 | doub | 1.32Å | 1.30Å | Aromatic |
| C13 | N3 | sing | 1.32Å | 1.33Å | Aromatic |
| N4 | C4 | sing | 1.33Å | 1.30Å | Aromatic |
| O2 | C1 | doub | 1.21Å | 1.26Å | |
| N3 | C12 | doub | 1.33Å | 1.35Å | Aromatic |
| C2 | C3 | sing | 1.55Å | 1.51Å | |
| C2 | C1 | sing | 1.51Å | 1.53Å | |
| C2 | C15 | sing | 1.53Å | 1.52Å | |
| N1 | C4 | sing | 1.38Å | 1.47Å | |
| N1 | C14 | sing | 1.49Å | 1.46Å | |
| N1 | C3 | sing | 1.49Å | 1.45Å | |
| C4 | C5 | doub | 1.40Å | 1.42Å | Aromatic |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| C16 | C15 | sing | 1.53Å | 1.55Å | |
| C16 | C17 | sing | 1.54Å | 1.51Å | |
| C1 | O1 | sing | 1.34Å | 1.25Å | |
| C15 | C18 | sing | 1.53Å | 1.56Å | |
| C12 | C5 | sing | 1.40Å | 1.43Å | Aromatic |
| C12 | N2 | sing | 1.37Å | 1.29Å | Aromatic |
| C5 | C6 | sing | 1.47Å | 1.47Å | Aromatic |
| C17 | C18 | sing | 1.54Å | 1.50Å | |
| N2 | C7 | sing | 1.39Å | 1.31Å | Aromatic |
| C6 | C7 | doub | 1.40Å | 1.43Å | Aromatic |
| C6 | C11 | sing | 1.39Å | 1.43Å | Aromatic |
| C7 | C8 | sing | 1.39Å | 1.39Å | Aromatic |
| C11 | C10 | doub | 1.38Å | 1.41Å | Aromatic |
| C8 | C9 | doub | 1.38Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | H16 | sing | 1.09Å | 1.10Å | |
| C18 | H17 | sing | 1.09Å | 1.10Å | |
| C16 | H12 | sing | 1.09Å | 1.10Å | |
| C16 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C17 | H15 | sing | 1.09Å | 1.10Å | |
| C14 | H11 | sing | 1.09Å | 1.10Å | |
| C14 | H10 | sing | 1.09Å | 1.10Å | |
| C13 | H9 | sing | 1.08Å | 1.08Å | |
| C11 | H7 | sing | 1.08Å | 1.08Å | |
| C10 | H6 | sing | 1.08Å | 1.08Å | |
| C9 | H5 | sing | 1.08Å | 1.08Å | |
| C8 | H4 | sing | 1.08Å | 1.08Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| O1 | H18 | sing | 0.97Å | 0.95Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C13 | N3 | 128.0° | 122.6° |
| C13 | N4 | C4 | 120.3° | 120.9° |
| N4 | C13 | H9 | 116.0° | 118.7° |
| C13 | N3 | C12 | 112.9° | 120.8° |
| N3 | C13 | H9 | 116.0° | 118.7° |
| N4 | C4 | N1 | 111.9° | 120.8° |
| N4 | C4 | C5 | 120.2° | 118.4° |
| O2 | C1 | C2 | 119.3° | 120.0° |
| O2 | C1 | O1 | 119.5° | 120.0° |
| N3 | C12 | C5 | 124.3° | 118.4° |
| N3 | C12 | N2 | 125.9° | 133.1° |
| C3 | C2 | C1 | 111.6° | 110.4° |
| C3 | C2 | C15 | 99.2° | 104.7° |
| C2 | C3 | N1 | 105.3° | 104.6° |
| C2 | C3 | H2 | 110.5° | 110.4° |
| C2 | C3 | H3 | 110.5° | 110.5° |
| C3 | C2 | H1 | 109.7° | 110.4° |
| C1 | C2 | C15 | 116.7° | 110.4° |
| C2 | C1 | O1 | 121.2° | 120.0° |
| C1 | C2 | H1 | 109.5° | 110.4° |
| C2 | C15 | C14 | 97.6° | 106.1° |
| C2 | C15 | C16 | 118.8° | 115.7° |
| C2 | C15 | C18 | 124.8° | 115.6° |
| C15 | C2 | H1 | 109.7° | 110.5° |
| C4 | N1 | C14 | 126.0° | 111.1° |
| C4 | N1 | C3 | 124.1° | 111.0° |
| N1 | C4 | C5 | 127.9° | 120.8° |
| C14 | N1 | C3 | 101.1° | 104.4° |
| N1 | C14 | C15 | 111.6° | 104.3° |
| N1 | C14 | H11 | 108.9° | 110.5° |
| N1 | C14 | H10 | 108.9° | 110.4° |
| N1 | C3 | H2 | 110.5° | 110.4° |
| N1 | C3 | H3 | 110.5° | 110.4° |
| C4 | C5 | C12 | 114.2° | 118.8° |
| C4 | C5 | C6 | 142.1° | 134.6° |
| C14 | C15 | C16 | 118.2° | 115.6° |
| C14 | C15 | C18 | 114.9° | 115.7° |
| C15 | C14 | H11 | 109.0° | 110.4° |
| C15 | C14 | H10 | 108.9° | 110.4° |
| C15 | C16 | C17 | 88.9° | 86.8° |
| C16 | C15 | C18 | 84.5° | 88.0° |
| C15 | C16 | H12 | 114.3° | 113.7° |
| C15 | C16 | H13 | 114.3° | 113.7° |
| C16 | C17 | C18 | 87.7° | 87.3° |
| C17 | C16 | H12 | 114.3° | 113.6° |
| C17 | C16 | H13 | 114.3° | 113.7° |
| C16 | C17 | H14 | 114.6° | 113.6° |
| C16 | C17 | H15 | 114.6° | 113.7° |
| C1 | O1 | H18 | 109.5° | 117.0° |
| C15 | C18 | C17 | 88.9° | 86.8° |
| C15 | C18 | H16 | 114.4° | 113.7° |
| C15 | C18 | H17 | 114.4° | 113.7° |
| C5 | C12 | N2 | 109.7° | 108.4° |
| C12 | C5 | C6 | 103.7° | 106.6° |
| C12 | N2 | C7 | 113.4° | 110.4° |
| C12 | N2 | H8 | 123.3° | 124.8° |
| C5 | C6 | C7 | 105.0° | 106.2° |
| C5 | C6 | C11 | 137.3° | 133.7° |
| C17 | C18 | H16 | 114.4° | 113.7° |
| C17 | C18 | H17 | 114.3° | 113.7° |
| C18 | C17 | H14 | 114.6° | 113.6° |
| C18 | C17 | H15 | 114.6° | 113.5° |
| N2 | C7 | C6 | 108.2° | 108.3° |
| N2 | C7 | C8 | 131.4° | 132.4° |
| C7 | N2 | H8 | 123.3° | 124.8° |
| C7 | C6 | C11 | 117.7° | 120.0° |
| C6 | C7 | C8 | 120.4° | 119.3° |
| C6 | C11 | C10 | 120.4° | 119.8° |
| C6 | C11 | H7 | 119.8° | 120.0° |
| C7 | C8 | C9 | 121.5° | 120.1° |
| C7 | C8 | H4 | 119.2° | 120.0° |
| C11 | C10 | C9 | 120.4° | 120.2° |
| C10 | C11 | H7 | 119.8° | 120.1° |
| C11 | C10 | H6 | 119.8° | 119.9° |
| C8 | C9 | C10 | 119.5° | 120.6° |
| C8 | C9 | H5 | 120.3° | 119.7° |
| C9 | C8 | H4 | 119.3° | 119.9° |
| C9 | C10 | H6 | 119.8° | 119.9° |
| C10 | C9 | H5 | 120.2° | 119.7° |
| H16 | C18 | H17 | 109.5° | 112.9° |
| H12 | C16 | H13 | 109.5° | 112.9° |
| H14 | C17 | H15 | 109.5° | 112.8° |
| H11 | C14 | H10 | 109.5° | 110.5° |
| H2 | C3 | H3 | 109.5° | 110.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C13 | N3 | H9 | 180.0° | 179.7° |
| N4 | C13 | N3 | C12 | 0.5° | 0.0° |
| C13 | N4 | C4 | N1 | 178.1° | 180.0° |
| C13 | N4 | C4 | C5 | 0.1° | 0.1° |
| N3 | C13 | N4 | C4 | 0.5° | 0.0° |
| C13 | N3 | C12 | C5 | 0.1° | 0.1° |
| C13 | N3 | C12 | N2 | 179.8° | 179.9° |
| N4 | C4 | N1 | C5 | 178.0° | 179.9° |
| N4 | C4 | N1 | C14 | 107.6° | 57.4° |
| N4 | C4 | N1 | C3 | 111.1° | 58.3° |
| N4 | C4 | C5 | C12 | 0.3° | 0.1° |
| N4 | C4 | C5 | C6 | 179.6° | 180.0° |
| C4 | N4 | C13 | H9 | 179.5° | 179.7° |
| O2 | C1 | C2 | C3 | 75.7° | 34.0° |
| O2 | C1 | C2 | O1 | 179.7° | 179.9° |
| O2 | C1 | C2 | C15 | 171.3° | 81.3° |
| O2 | C1 | C2 | H1 | 46.0° | 156.3° |
| O2 | C1 | O1 | H18 | 0.0° | 0.1° |
| N3 | C12 | C5 | C4 | 0.2° | 0.0° |
| N3 | C12 | C5 | N2 | 180.0° | 179.9° |
| N3 | C12 | C5 | C6 | 179.8° | 180.0° |
| N3 | C12 | N2 | C7 | 179.9° | 179.9° |
| C12 | N3 | C13 | H9 | 179.5° | 179.7° |
| N3 | C12 | N2 | H8 | 0.0° | 0.1° |
| C3 | C2 | C1 | C15 | 113.0° | 115.3° |
| C3 | C2 | C1 | H1 | 121.7° | 122.3° |
| C3 | C2 | C15 | H1 | 114.9° | 118.8° |
| C2 | C3 | N1 | C4 | 175.9° | 158.6° |
| C2 | C3 | N1 | C14 | 35.1° | 38.9° |
| C2 | C3 | N1 | H2 | 119.4° | 118.8° |
| C2 | C3 | N1 | H3 | 119.3° | 118.9° |
| C3 | C2 | C15 | C14 | 42.2° | 0.3° |
| C3 | C2 | C15 | C16 | 170.3° | 129.8° |
| C3 | C2 | C1 | O1 | 104.0° | 146.1° |
| C3 | C2 | C15 | C18 | 85.3° | 129.4° |
| C2 | C3 | H2 | H3 | 121.9° | 122.4° |
| C1 | C2 | C15 | H1 | 125.2° | 122.4° |
| C1 | C2 | C3 | N1 | 174.7° | 142.5° |
| C1 | C2 | C15 | C14 | 162.1° | 119.1° |
| C1 | C2 | C15 | C16 | 69.9° | 111.4° |
| C1 | C2 | C15 | C18 | 34.5° | 10.6° |
| C1 | C2 | C3 | H2 | 66.0° | 23.7° |
| C1 | C2 | C3 | H3 | 55.3° | 98.6° |
| C2 | C1 | O1 | H18 | 179.7° | 180.0° |
| C2 | C15 | C14 | N1 | 23.6° | 23.2° |
| C15 | C2 | C3 | N1 | 51.1° | 23.7° |
| C2 | C15 | C14 | C16 | 128.5° | 129.6° |
| C2 | C15 | C14 | C18 | 134.1° | 129.6° |
| C2 | C15 | C16 | C18 | 126.9° | 117.6° |
| C2 | C15 | C16 | C17 | 103.7° | 92.8° |
| C15 | C2 | C1 | O1 | 9.0° | 98.7° |
| C2 | C15 | C18 | C17 | 98.1° | 92.9° |
| C2 | C15 | C18 | H16 | 145.6° | 21.7° |
| C2 | C15 | C18 | H17 | 18.2° | 152.6° |
| C2 | C15 | C16 | H12 | 12.6° | 152.8° |
| C2 | C15 | C16 | H13 | 140.0° | 21.7° |
| C2 | C15 | C14 | H11 | 96.7° | 142.0° |
| C2 | C15 | C14 | H10 | 143.9° | 95.5° |
| C15 | C2 | C3 | H2 | 170.5° | 95.1° |
| C15 | C2 | C3 | H3 | 68.2° | 142.5° |
| C4 | N1 | C14 | C3 | 148.1° | 119.7° |
| C4 | N1 | C14 | C15 | 154.6° | 158.3° |
| N1 | C4 | C5 | C12 | 178.2° | 180.0° |
| N1 | C4 | C5 | C6 | 2.5° | 0.1° |
| C4 | N1 | C14 | H11 | 85.1° | 83.0° |
| C4 | N1 | C14 | H10 | 34.3° | 39.6° |
| C4 | N1 | C3 | H2 | 56.6° | 39.9° |
| C4 | N1 | C3 | H3 | 64.7° | 82.5° |
| C14 | N1 | C4 | C5 | 74.4° | 122.6° |
| N1 | C14 | C15 | H11 | 120.3° | 118.8° |
| N1 | C14 | C15 | H10 | 120.3° | 118.7° |
| N1 | C14 | C15 | C16 | 152.1° | 106.4° |
| N1 | C14 | C15 | C18 | 110.5° | 152.8° |
| N1 | C14 | H11 | H10 | 119.0° | 122.5° |
| C14 | N1 | C3 | H2 | 154.5° | 79.9° |
| C14 | N1 | C3 | H3 | 84.2° | 157.8° |
| C3 | N1 | C4 | C5 | 66.9° | 121.8° |
| C3 | N1 | C14 | C15 | 6.4° | 38.6° |
| C3 | N1 | C14 | H11 | 126.8° | 157.3° |
| C3 | N1 | C14 | H10 | 113.9° | 80.1° |
| N1 | C3 | H2 | H3 | 121.9° | 122.4° |
| N1 | C3 | C2 | H1 | 63.7° | 95.2° |
| C4 | C5 | C12 | C6 | 179.6° | 180.0° |
| C4 | C5 | C12 | N2 | 179.8° | 179.9° |
| C4 | C5 | C6 | C7 | 179.7° | 179.9° |
| C4 | C5 | C6 | C11 | 0.7° | 0.0° |
| C14 | C15 | C16 | C18 | 115.3° | 117.7° |
| C14 | C15 | C16 | C17 | 138.6° | 142.5° |
| C14 | C15 | C18 | C17 | 142.0° | 142.3° |
| C14 | C15 | C18 | H16 | 25.6° | 103.1° |
| C14 | C15 | C18 | H17 | 101.7° | 27.8° |
| C14 | C15 | C16 | H12 | 105.1° | 28.1° |
| C14 | C15 | C16 | H13 | 22.2° | 103.0° |
| C15 | C14 | H11 | H10 | 119.0° | 122.5° |
| C14 | C15 | C2 | H1 | 72.7° | 118.6° |
| C15 | C16 | C17 | H12 | 116.3° | 114.5° |
| C15 | C16 | C17 | H13 | 116.3° | 114.5° |
| C15 | C16 | C17 | C18 | 24.0° | 24.6° |
| C16 | C15 | C18 | H16 | 93.0° | 139.3° |
| C16 | C15 | C18 | H17 | 139.7° | 89.7° |
| C15 | C16 | H12 | H13 | 129.8° | 131.4° |
| C15 | C16 | C17 | H14 | 92.1° | 139.3° |
| C15 | C16 | C17 | H15 | 140.1° | 89.9° |
| C16 | C15 | C14 | H11 | 31.8° | 12.4° |
| C16 | C15 | C14 | H10 | 87.5° | 134.9° |
| C16 | C15 | C2 | H1 | 55.4° | 11.0° |
| C16 | C17 | C18 | H14 | 116.1° | 114.6° |
| C16 | C17 | C18 | H15 | 116.1° | 114.7° |
| C16 | C17 | C18 | H16 | 92.5° | 139.2° |
| C16 | C17 | C18 | H17 | 140.2° | 89.8° |
| C17 | C16 | H12 | H13 | 129.8° | 131.4° |
| C16 | C17 | H14 | H15 | 130.4° | 131.2° |
| O1 | C1 | C2 | H1 | 134.3° | 23.8° |
| C15 | C18 | C17 | H16 | 116.4° | 114.5° |
| C15 | C18 | C17 | H17 | 116.4° | 114.5° |
| C15 | C18 | H16 | H17 | 129.8° | 131.3° |
| C18 | C15 | C16 | H12 | 139.6° | 89.6° |
| C18 | C15 | C16 | H13 | 93.1° | 139.3° |
| C15 | C18 | C17 | H14 | 92.2° | 139.3° |
| C15 | C18 | C17 | H15 | 140.0° | 90.0° |
| C18 | C15 | C14 | H11 | 129.2° | 88.4° |
| C18 | C15 | C14 | H10 | 9.9° | 34.1° |
| C18 | C15 | C2 | H1 | 159.7° | 111.8° |
| C5 | C12 | N2 | C7 | 0.0° | 0.0° |
| C12 | C5 | C6 | C7 | 0.4° | 0.0° |
| C12 | C5 | C6 | C11 | 179.9° | 180.0° |
| C5 | C12 | N2 | H8 | 180.0° | 180.0° |
| N2 | C12 | C5 | C6 | 0.2° | 0.0° |
| C12 | N2 | C7 | H8 | 180.0° | 180.0° |
| C12 | N2 | C7 | C6 | 0.3° | 0.0° |
| C12 | N2 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C7 | N2 | 0.4° | 0.0° |
| C5 | C6 | C7 | C11 | 179.6° | 180.0° |
| C5 | C6 | C7 | C8 | 179.9° | 180.0° |
| C5 | C6 | C11 | C10 | 179.5° | 180.0° |
| C5 | C6 | C11 | H7 | 0.5° | 0.0° |
| C17 | C18 | H16 | H17 | 129.8° | 131.4° |
| C18 | C17 | C16 | H12 | 140.4° | 89.9° |
| C18 | C17 | C16 | H13 | 92.3° | 139.1° |
| C18 | C17 | H14 | H15 | 130.4° | 131.0° |
| N2 | C7 | C6 | C8 | 179.7° | 180.0° |
| N2 | C7 | C6 | C11 | 179.9° | 180.0° |
| N2 | C7 | C8 | C9 | 179.7° | 180.0° |
| N2 | C7 | C8 | H4 | 0.3° | 0.0° |
| C7 | C6 | C11 | C10 | 0.0° | 0.0° |
| C6 | C7 | C8 | C9 | 0.2° | 0.1° |
| C7 | C6 | C11 | H7 | 180.0° | 179.9° |
| C6 | C7 | C8 | H4 | 179.8° | 179.9° |
| C6 | C7 | N2 | H8 | 179.7° | 180.0° |
| C11 | C6 | C7 | C8 | 0.2° | 0.1° |
| C6 | C11 | C10 | H7 | 180.0° | 180.0° |
| C6 | C11 | C10 | C9 | 0.3° | 0.0° |
| C6 | C11 | C10 | H6 | 179.7° | 180.0° |
| C7 | C8 | C9 | H4 | 180.0° | 180.0° |
| C7 | C8 | C9 | C10 | 0.2° | 0.0° |
| C7 | C8 | C9 | H5 | 179.8° | 179.9° |
| C8 | C7 | N2 | H8 | 0.1° | 0.1° |
| C11 | C10 | C9 | C8 | 0.4° | 0.0° |
| C11 | C10 | C9 | H6 | 180.0° | 180.0° |
| C11 | C10 | C9 | H5 | 179.6° | 179.9° |
| C8 | C9 | C10 | H5 | 180.0° | 179.9° |
| C8 | C9 | C10 | H6 | 179.6° | 180.0° |
| C9 | C10 | C11 | H7 | 179.7° | 180.0° |
| C10 | C9 | C8 | H4 | 179.8° | 180.0° |
| H16 | C18 | C17 | H14 | 151.4° | 106.2° |
| H16 | C18 | C17 | H15 | 23.6° | 24.5° |
| H17 | C18 | C17 | H14 | 24.2° | 24.8° |
| H17 | C18 | C17 | H15 | 103.6° | 155.5° |
| H12 | C16 | C17 | H14 | 24.2° | 24.8° |
| H12 | C16 | C17 | H15 | 103.6° | 155.6° |
| H13 | C16 | C17 | H14 | 151.6° | 106.2° |
| H13 | C16 | C17 | H15 | 23.8° | 24.6° |
| H7 | C11 | C10 | H6 | 0.3° | 0.0° |
| H6 | C10 | C9 | H5 | 0.4° | 0.1° |
| H5 | C9 | C8 | H4 | 0.2° | 0.0° |
| H2 | C3 | C2 | H1 | 55.6° | 146.0° |
| H3 | C3 | C2 | H1 | 176.9° | 23.7° |
