FRC
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | N2 | sing | 1.35Å | 1.46Å | Aromatic |
| C1 | C5 | doub | 1.36Å | 1.34Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.10Å | |
| N2 | C3 | sing | 1.36Å | 1.34Å | Aromatic |
| N2 | C13 | sing | 1.47Å | 1.44Å | |
| C3 | N4 | doub | 1.30Å | 1.35Å | Aromatic |
| C3 | H3 | sing | 1.08Å | 1.10Å | |
| N4 | C5 | sing | 1.36Å | 1.48Å | Aromatic |
| C5 | C8 | sing | 1.47Å | 1.49Å | |
| C8 | O9 | doub | 1.22Å | 1.22Å | |
| C8 | N10 | sing | 1.35Å | 1.32Å | |
| N10 | H101 | sing | 0.97Å | 1.02Å | |
| N10 | H102 | sing | 0.97Å | 1.02Å | |
| C13 | C14 | sing | 1.53Å | 1.55Å | |
| C13 | C18 | sing | 1.53Å | 1.52Å | |
| C13 | H13 | sing | 1.09Å | 1.11Å | |
| C14 | O15 | sing | 1.43Å | 1.47Å | |
| C14 | C9 | sing | 1.53Å | 1.56Å | |
| C14 | H14 | sing | 1.09Å | 1.11Å | |
| O15 | HO | sing | 0.97Å | 0.95Å | |
| C18 | C2 | sing | 1.53Å | 1.54Å | |
| C18 | H181 | sing | 1.09Å | 1.11Å | |
| C18 | H182 | sing | 1.09Å | 1.11Å | |
| C2 | O1 | sing | 1.43Å | 1.41Å | |
| C2 | H21 | sing | 1.09Å | 1.11Å | |
| C2 | H22 | sing | 1.09Å | 1.11Å | |
| C9 | H91 | sing | 1.09Å | 1.12Å | |
| C9 | H92 | sing | 1.09Å | 1.12Å | |
| C9 | H93 | sing | 1.09Å | 1.11Å | |
| O1 | C19 | sing | 1.36Å | 1.39Å | |
| C11 | C17 | doub | 1.36Å | 1.40Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.40Å | Aromatic |
| C11 | H11 | sing | 1.08Å | 1.10Å | |
| C17 | C12 | sing | 1.41Å | 1.40Å | Aromatic |
| C17 | H17 | sing | 1.08Å | 1.10Å | |
| C12 | C4 | doub | 1.42Å | 1.41Å | Aromatic |
| C12 | C7 | sing | 1.41Å | 1.40Å | Aromatic |
| C4 | C15 | sing | 1.40Å | 1.40Å | Aromatic |
| C4 | C10 | sing | 1.41Å | 1.40Å | Aromatic |
| C15 | C6 | doub | 1.36Å | 1.40Å | Aromatic |
| C15 | H15 | sing | 1.08Å | 1.10Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | C16 | doub | 1.36Å | 1.40Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.10Å | |
| C16 | C19 | sing | 1.40Å | 1.40Å | Aromatic |
| C16 | H16 | sing | 1.08Å | 1.10Å | |
| C19 | C10 | doub | 1.37Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N2 | C1 | C5 | 105.5° | 106.9° |
| N2 | C1 | H1 | 130.5° | 126.6° |
| C1 | N2 | C3 | 108.6° | 107.7° |
| C1 | N2 | C13 | 126.2° | 126.1° |
| C5 | C1 | H1 | 124.0° | 126.5° |
| C1 | C5 | N4 | 108.6° | 107.5° |
| C1 | C5 | C8 | 126.4° | 126.2° |
| C3 | N2 | C13 | 125.0° | 126.1° |
| N2 | C3 | N4 | 111.1° | 109.0° |
| N2 | C3 | H3 | 124.1° | 125.5° |
| N2 | C13 | C14 | 111.5° | 109.5° |
| N2 | C13 | C18 | 112.2° | 109.5° |
| N2 | C13 | H13 | 108.0° | 109.5° |
| N4 | C3 | H3 | 124.8° | 125.5° |
| C3 | N4 | C5 | 105.3° | 108.9° |
| N4 | C5 | C8 | 125.0° | 126.2° |
| C5 | C8 | O9 | 124.6° | 120.0° |
| C5 | C8 | N10 | 117.0° | 120.0° |
| O9 | C8 | N10 | 118.4° | 120.0° |
| C8 | N10 | H101 | 117.0° | 120.0° |
| C8 | N10 | H102 | 118.4° | 120.0° |
| H101 | N10 | H102 | 124.6° | 120.0° |
| C14 | C13 | C18 | 114.4° | 109.5° |
| C14 | C13 | H13 | 105.4° | 109.4° |
| C13 | C14 | O15 | 115.1° | 109.5° |
| C13 | C14 | C9 | 109.6° | 109.5° |
| C13 | C14 | H14 | 109.4° | 109.4° |
| C18 | C13 | H13 | 104.6° | 109.5° |
| C13 | C18 | C2 | 109.4° | 109.4° |
| C13 | C18 | H181 | 112.2° | 109.4° |
| C13 | C18 | H182 | 112.2° | 109.4° |
| O15 | C14 | C9 | 118.5° | 109.5° |
| O15 | C14 | H14 | 97.8° | 109.5° |
| C14 | O15 | HO | 115.1° | 106.8° |
| C9 | C14 | H14 | 105.0° | 109.5° |
| C14 | C9 | H91 | 112.2° | 109.5° |
| C14 | C9 | H92 | 109.6° | 109.5° |
| C14 | C9 | H93 | 112.2° | 109.4° |
| C2 | C18 | H181 | 112.2° | 109.5° |
| C2 | C18 | H182 | 112.2° | 109.5° |
| C18 | C2 | O1 | 111.6° | 109.5° |
| C18 | C2 | H21 | 111.4° | 109.5° |
| C18 | C2 | H22 | 111.5° | 109.5° |
| H181 | C18 | H182 | 98.2° | 109.5° |
| O1 | C2 | H21 | 111.4° | 109.4° |
| O1 | C2 | H22 | 111.4° | 109.4° |
| C2 | O1 | C19 | 116.1° | 106.8° |
| H21 | C2 | H22 | 98.9° | 109.5° |
| H91 | C9 | H92 | 112.2° | 109.5° |
| H91 | C9 | H93 | 98.2° | 109.5° |
| H92 | C9 | H93 | 112.2° | 109.5° |
| O1 | C19 | C16 | 114.3° | 119.6° |
| O1 | C19 | C10 | 125.9° | 119.5° |
| C17 | C11 | C6 | 121.0° | 121.0° |
| C17 | C11 | H11 | 119.5° | 119.4° |
| C11 | C17 | C12 | 119.3° | 119.7° |
| C11 | C17 | H17 | 120.3° | 120.2° |
| C6 | C11 | H11 | 119.5° | 119.6° |
| C11 | C6 | C15 | 119.7° | 121.0° |
| C11 | C6 | H6 | 120.2° | 119.5° |
| C12 | C17 | H17 | 120.3° | 120.2° |
| C17 | C12 | C4 | 119.9° | 119.3° |
| C17 | C12 | C7 | 118.8° | 121.2° |
| C4 | C12 | C7 | 121.0° | 119.5° |
| C12 | C4 | C15 | 119.9° | 119.4° |
| C12 | C4 | C10 | 120.1° | 119.4° |
| C12 | C7 | C16 | 118.2° | 119.7° |
| C12 | C7 | H7 | 121.0° | 120.1° |
| C15 | C4 | C10 | 120.0° | 121.2° |
| C4 | C15 | C6 | 120.0° | 119.6° |
| C4 | C15 | H15 | 120.1° | 120.2° |
| C4 | C10 | C19 | 118.9° | 119.6° |
| C4 | C10 | H10 | 120.3° | 120.2° |
| C6 | C15 | H15 | 119.8° | 120.2° |
| C15 | C6 | H6 | 120.1° | 119.5° |
| C16 | C7 | H7 | 120.8° | 120.2° |
| C7 | C16 | C19 | 121.9° | 121.0° |
| C7 | C16 | H16 | 118.9° | 119.5° |
| C19 | C16 | H16 | 119.1° | 119.5° |
| C16 | C19 | C10 | 119.8° | 120.9° |
| C19 | C10 | H10 | 120.9° | 120.2° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N2 | C1 | C5 | H1 | 180.0° | 179.6° |
| C1 | N2 | C3 | C13 | 175.3° | 179.8° |
| C1 | N2 | C3 | N4 | 5.6° | 0.3° |
| C1 | N2 | C3 | H3 | 174.4° | 179.8° |
| N2 | C1 | C5 | N4 | 6.2° | 0.4° |
| N2 | C1 | C5 | C8 | 172.3° | 179.8° |
| C1 | N2 | C13 | C14 | 85.7° | 119.7° |
| C1 | N2 | C13 | C18 | 44.1° | 120.3° |
| C1 | N2 | C13 | H13 | 158.9° | 0.2° |
| C5 | C1 | N2 | C3 | 0.8° | 0.4° |
| C5 | C1 | N2 | C13 | 174.5° | 179.8° |
| C1 | C5 | N4 | C3 | 9.6° | 0.2° |
| C1 | C5 | N4 | C8 | 178.5° | 179.8° |
| C1 | C5 | C8 | O9 | 1.3° | 0.2° |
| C1 | C5 | C8 | N10 | 177.2° | 179.7° |
| H1 | C1 | N2 | C3 | 179.2° | 180.0° |
| H1 | C1 | N2 | C13 | 5.6° | 0.2° |
| H1 | C1 | C5 | N4 | 173.8° | 180.0° |
| H1 | C1 | C5 | C8 | 7.7° | 0.2° |
| N2 | C3 | N4 | H3 | 180.0° | 180.0° |
| N2 | C3 | N4 | C5 | 9.1° | 0.0° |
| C3 | N2 | C13 | C14 | 99.8° | 60.0° |
| C3 | N2 | C13 | C18 | 130.3° | 60.0° |
| C3 | N2 | C13 | H13 | 15.6° | 180.0° |
| C13 | N2 | C3 | N4 | 179.1° | 180.0° |
| C13 | N2 | C3 | H3 | 0.9° | 0.0° |
| N2 | C13 | C14 | C18 | 128.7° | 120.0° |
| N2 | C13 | C14 | H13 | 117.0° | 120.0° |
| N2 | C13 | C18 | H13 | 116.8° | 120.0° |
| N2 | C13 | C14 | O15 | 66.5° | 177.8° |
| N2 | C13 | C14 | C9 | 70.1° | 62.1° |
| N2 | C13 | C14 | H14 | 175.4° | 57.9° |
| N2 | C13 | C18 | C2 | 78.8° | 65.4° |
| N2 | C13 | C18 | H181 | 46.4° | 174.6° |
| N2 | C13 | C18 | H182 | 155.9° | 54.6° |
| C3 | N4 | C5 | C8 | 169.0° | 180.0° |
| H3 | C3 | N4 | C5 | 170.9° | 180.0° |
| N4 | C5 | C8 | O9 | 177.0° | 180.0° |
| N4 | C5 | C8 | N10 | 4.5° | 0.1° |
| C5 | C8 | O9 | N10 | 178.5° | 179.9° |
| C5 | C8 | N10 | H101 | 180.0° | 0.1° |
| C5 | C8 | N10 | H102 | 1.4° | 180.0° |
| O9 | C8 | N10 | H101 | 1.4° | 180.0° |
| O9 | C8 | N10 | H102 | 180.0° | 0.1° |
| C8 | N10 | H101 | H102 | 178.5° | 179.9° |
| C14 | C13 | C18 | H13 | 114.9° | 120.0° |
| C13 | C14 | O15 | C9 | 132.5° | 120.0° |
| C13 | C14 | O15 | H14 | 115.7° | 119.9° |
| C13 | C14 | C9 | H14 | 117.3° | 119.9° |
| C13 | C14 | O15 | HO | 180.0° | 60.1° |
| C14 | C13 | C18 | C2 | 152.9° | 174.6° |
| C14 | C13 | C18 | H181 | 81.9° | 54.6° |
| C14 | C13 | C18 | H182 | 27.6° | 65.4° |
| C13 | C14 | C9 | H91 | 54.7° | 60.0° |
| C13 | C14 | C9 | H92 | 180.0° | 60.0° |
| C13 | C14 | C9 | H93 | 54.7° | 180.0° |
| C18 | C13 | C14 | O15 | 164.8° | 57.8° |
| C18 | C13 | C14 | C9 | 58.6° | 177.9° |
| C18 | C13 | C14 | H14 | 56.0° | 62.1° |
| C13 | C18 | C2 | H181 | 125.3° | 119.9° |
| C13 | C18 | C2 | H182 | 125.2° | 120.0° |
| C13 | C18 | H181 | H182 | 118.1° | 120.0° |
| C13 | C18 | C2 | O1 | 177.4° | 176.4° |
| C13 | C18 | C2 | H21 | 57.3° | 56.5° |
| C13 | C18 | C2 | H22 | 52.2° | 63.6° |
| H13 | C13 | C14 | O15 | 50.4° | 62.2° |
| H13 | C13 | C14 | C9 | 173.0° | 57.8° |
| H13 | C13 | C14 | H14 | 58.4° | 177.8° |
| H13 | C13 | C18 | C2 | 38.0° | 54.6° |
| H13 | C13 | C18 | H181 | 163.3° | 65.4° |
| H13 | C13 | C18 | H182 | 87.3° | 174.6° |
| O15 | C14 | C9 | H14 | 107.7° | 120.0° |
| O15 | C14 | C9 | H91 | 170.4° | 60.0° |
| O15 | C14 | C9 | H92 | 45.1° | 180.0° |
| O15 | C14 | C9 | H93 | 80.2° | 60.0° |
| C9 | C14 | O15 | HO | 47.5° | 59.9° |
| C14 | C9 | H91 | H92 | 123.8° | 120.0° |
| C14 | C9 | H91 | H93 | 118.1° | 119.9° |
| C14 | C9 | H92 | H93 | 125.3° | 119.9° |
| H14 | C14 | O15 | HO | 64.3° | 180.0° |
| H14 | C14 | C9 | H91 | 62.6° | 180.0° |
| H14 | C14 | C9 | H92 | 62.6° | 59.9° |
| H14 | C14 | C9 | H93 | 172.1° | 60.0° |
| C2 | C18 | H181 | H182 | 118.2° | 120.1° |
| C18 | C2 | O1 | H21 | 125.3° | 120.0° |
| C18 | C2 | O1 | H22 | 125.3° | 120.0° |
| C18 | C2 | H21 | H22 | 117.4° | 120.1° |
| C18 | C2 | O1 | C19 | 64.3° | 180.0° |
| H181 | C18 | C2 | O1 | 52.2° | 63.7° |
| H181 | C18 | C2 | H21 | 177.4° | 176.4° |
| H181 | C18 | C2 | H22 | 73.1° | 56.3° |
| H182 | C18 | C2 | O1 | 57.3° | 56.4° |
| H182 | C18 | C2 | H21 | 67.9° | 63.5° |
| H182 | C18 | C2 | H22 | 177.4° | 176.4° |
| O1 | C2 | H21 | H22 | 117.3° | 119.9° |
| C2 | O1 | C19 | C16 | 160.3° | 0.0° |
| C2 | O1 | C19 | C10 | 19.1° | 179.7° |
| H21 | C2 | O1 | C19 | 170.5° | 60.0° |
| H22 | C2 | O1 | C19 | 61.0° | 60.0° |
| H91 | C9 | H92 | H93 | 109.5° | 120.1° |
| O1 | C19 | C10 | C4 | 178.7° | 179.8° |
| O1 | C19 | C16 | C7 | 179.3° | 180.0° |
| O1 | C19 | C16 | C10 | 179.4° | 179.8° |
| O1 | C19 | C16 | H16 | 0.7° | 0.0° |
| O1 | C19 | C10 | H10 | 1.3° | 0.1° |
| C17 | C11 | C6 | H11 | 180.0° | 180.0° |
| C11 | C17 | C12 | H17 | 180.0° | 180.0° |
| C11 | C17 | C12 | C4 | 4.6° | 0.0° |
| C11 | C17 | C12 | C7 | 178.6° | 180.0° |
| C17 | C11 | C6 | C15 | 1.3° | 0.0° |
| C17 | C11 | C6 | H6 | 178.7° | 180.0° |
| C6 | C11 | C17 | C12 | 2.6° | 0.0° |
| C6 | C11 | C17 | H17 | 177.4° | 180.0° |
| C11 | C6 | C15 | C4 | 2.0° | 0.0° |
| C11 | C6 | C15 | H6 | 180.0° | 180.0° |
| C11 | C6 | C15 | H15 | 178.0° | 180.0° |
| H11 | C11 | C17 | C12 | 177.4° | 180.0° |
| H11 | C11 | C17 | H17 | 2.6° | 0.0° |
| H11 | C11 | C6 | C15 | 178.7° | 180.0° |
| H11 | C11 | C6 | H6 | 1.3° | 0.0° |
| C17 | C12 | C4 | C7 | 173.9° | 180.0° |
| C17 | C12 | C4 | C15 | 5.3° | 0.0° |
| C17 | C12 | C4 | C10 | 176.8° | 179.8° |
| C17 | C12 | C7 | C16 | 176.1° | 180.0° |
| C17 | C12 | C7 | H7 | 3.9° | 0.0° |
| H17 | C17 | C12 | C4 | 175.5° | 180.0° |
| H17 | C17 | C12 | C7 | 1.5° | 0.0° |
| C12 | C4 | C15 | C10 | 178.0° | 179.8° |
| C12 | C4 | C15 | C6 | 4.0° | 0.1° |
| C12 | C4 | C15 | H15 | 176.1° | 179.9° |
| C4 | C12 | C7 | C16 | 2.2° | 0.1° |
| C4 | C12 | C7 | H7 | 177.8° | 180.0° |
| C12 | C4 | C10 | C19 | 2.7° | 0.4° |
| C12 | C4 | C10 | H10 | 177.3° | 179.7° |
| C7 | C12 | C4 | C15 | 179.1° | 179.9° |
| C7 | C12 | C4 | C10 | 2.9° | 0.3° |
| C12 | C7 | C16 | H7 | 180.0° | 180.0° |
| C12 | C7 | C16 | C19 | 1.4° | 0.0° |
| C12 | C7 | C16 | H16 | 178.6° | 179.9° |
| C4 | C15 | C6 | H15 | 180.0° | 180.0° |
| C4 | C15 | C6 | H6 | 178.0° | 180.0° |
| C15 | C4 | C10 | C19 | 179.3° | 179.7° |
| C15 | C4 | C10 | H10 | 0.7° | 0.1° |
| C10 | C4 | C15 | C6 | 178.1° | 179.8° |
| C10 | C4 | C15 | H15 | 1.9° | 0.2° |
| C4 | C10 | C19 | C16 | 2.0° | 0.4° |
| C4 | C10 | C19 | H10 | 180.0° | 179.8° |
| H15 | C15 | C6 | H6 | 2.0° | 0.0° |
| C7 | C16 | C19 | H16 | 180.0° | 180.0° |
| C7 | C16 | C19 | C10 | 1.3° | 0.2° |
| H7 | C7 | C16 | C19 | 178.6° | 180.0° |
| H7 | C7 | C16 | H16 | 1.4° | 0.1° |
| C16 | C19 | C10 | H10 | 178.0° | 179.7° |
| H16 | C16 | C19 | C10 | 178.7° | 179.7° |
