FCP
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C22 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C22 | C21 | sing | 1.38Å | 1.42Å | Aromatic |
| C22 | H22 | sing | 1.08Å | 1.10Å | |
| C1 | N2 | doub | 1.32Å | 1.34Å | Aromatic |
| C1 | N6 | sing | 1.32Å | 1.34Å | Aromatic |
| C1 | HL | sing | 1.08Å | 1.10Å | |
| C5 | C4 | sing | 1.39Å | 1.44Å | Aromatic |
| C5 | N6 | doub | 1.33Å | 1.35Å | Aromatic |
| C5 | N16 | sing | 1.39Å | 1.46Å | |
| C4 | C3 | doub | 1.39Å | 1.43Å | Aromatic |
| C4 | HB | sing | 1.08Å | 1.10Å | |
| C3 | N2 | sing | 1.33Å | 1.35Å | Aromatic |
| C3 | N7 | sing | 1.39Å | 1.46Å | |
| C17 | C18 | sing | 1.39Å | 1.43Å | Aromatic |
| C17 | N16 | sing | 1.40Å | 1.46Å | |
| C18 | C19 | doub | 1.38Å | 1.41Å | Aromatic |
| C18 | HE | sing | 1.08Å | 1.10Å | |
| C19 | C20 | sing | 1.39Å | 1.42Å | Aromatic |
| C19 | HF | sing | 1.08Å | 1.10Å | |
| C20 | C21 | doub | 1.39Å | 1.43Å | Aromatic |
| C20 | O23 | sing | 1.36Å | 1.39Å | |
| N7 | C8 | sing | 1.40Å | 1.49Å | |
| N7 | HD | sing | 0.97Å | 1.02Å | |
| N16 | HC | sing | 0.97Å | 1.02Å | |
| C21 | HA | sing | 1.08Å | 1.10Å | |
| O23 | C24 | sing | 1.43Å | 1.46Å | |
| C24 | C25 | sing | 1.53Å | 1.54Å | |
| C24 | HA1 | sing | 1.09Å | 1.11Å | |
| C24 | HB2 | sing | 1.09Å | 1.12Å | |
| C11 | C10 | doub | 1.38Å | 1.42Å | Aromatic |
| C11 | C12 | sing | 1.38Å | 1.41Å | Aromatic |
| C11 | HH | sing | 1.08Å | 1.10Å | |
| C10 | C9 | sing | 1.38Å | 1.42Å | Aromatic |
| C10 | HI | sing | 1.08Å | 1.10Å | |
| C9 | C8 | doub | 1.39Å | 1.43Å | Aromatic |
| C9 | F14 | sing | 1.35Å | 1.37Å | |
| C8 | C13 | sing | 1.39Å | 1.45Å | Aromatic |
| C12 | C13 | doub | 1.38Å | 1.42Å | Aromatic |
| C12 | HJ | sing | 1.08Å | 1.10Å | |
| C13 | F15 | sing | 1.35Å | 1.36Å | |
| C25 | C26 | sing | 1.53Å | 1.55Å | |
| C25 | O30 | sing | 1.43Å | 1.43Å | |
| C25 | HG | sing | 1.09Å | 1.11Å | |
| C26 | N27 | sing | 1.47Å | 1.50Å | |
| C26 | HB1 | sing | 1.09Å | 1.11Å | |
| C26 | HC2 | sing | 1.09Å | 1.11Å | |
| N27 | C28 | sing | 1.47Å | 1.49Å | |
| N27 | C29 | sing | 1.47Å | 1.49Å | |
| C28 | HC1 | sing | 1.09Å | 1.12Å | |
| C28 | HD2 | sing | 1.09Å | 1.11Å | |
| C28 | HE3 | sing | 1.09Å | 1.12Å | |
| C29 | HD1 | sing | 1.09Å | 1.12Å | |
| C29 | HE2 | sing | 1.09Å | 1.12Å | |
| C29 | HF3 | sing | 1.09Å | 1.12Å | |
| O30 | HK | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C17 | C22 | C21 | 120.2° | 120.0° |
| C17 | C22 | H22 | 119.9° | 120.0° |
| C22 | C17 | C18 | 119.2° | 120.0° |
| C22 | C17 | N16 | 117.9° | 120.0° |
| C21 | C22 | H22 | 119.9° | 120.0° |
| C22 | C21 | C20 | 120.2° | 120.0° |
| C22 | C21 | HA | 119.9° | 119.9° |
| N2 | C1 | N6 | 126.1° | 121.9° |
| N2 | C1 | HL | 116.9° | 119.1° |
| C1 | N2 | C3 | 118.3° | 120.9° |
| N6 | C1 | HL | 116.9° | 119.0° |
| C1 | N6 | C5 | 118.1° | 120.9° |
| C4 | C5 | N6 | 120.5° | 119.0° |
| C4 | C5 | N16 | 122.7° | 120.5° |
| C5 | C4 | C3 | 116.5° | 118.3° |
| C5 | C4 | HB | 121.8° | 120.9° |
| N6 | C5 | N16 | 116.8° | 120.5° |
| C5 | N16 | C17 | 135.7° | 120.0° |
| C5 | N16 | HC | 112.1° | 120.0° |
| C3 | C4 | HB | 121.7° | 120.9° |
| C4 | C3 | N2 | 120.4° | 119.0° |
| C4 | C3 | N7 | 123.1° | 120.5° |
| N2 | C3 | N7 | 116.5° | 120.5° |
| C3 | N7 | C8 | 139.9° | 120.0° |
| C3 | N7 | HD | 110.0° | 120.0° |
| C18 | C17 | N16 | 122.9° | 120.1° |
| C17 | C18 | C19 | 120.6° | 120.0° |
| C17 | C18 | HE | 119.7° | 120.0° |
| C17 | N16 | HC | 112.1° | 120.1° |
| C19 | C18 | HE | 119.7° | 120.0° |
| C18 | C19 | C20 | 120.2° | 120.0° |
| C18 | C19 | HF | 119.9° | 120.0° |
| C20 | C19 | HF | 119.9° | 120.0° |
| C19 | C20 | C21 | 119.5° | 120.1° |
| C19 | C20 | O23 | 115.5° | 119.9° |
| C21 | C20 | O23 | 125.0° | 120.0° |
| C20 | C21 | HA | 119.9° | 120.1° |
| C20 | O23 | C24 | 124.7° | 106.8° |
| C8 | N7 | HD | 110.0° | 120.0° |
| N7 | C8 | C9 | 116.0° | 120.1° |
| N7 | C8 | C13 | 125.9° | 120.1° |
| O23 | C24 | C25 | 114.9° | 109.5° |
| O23 | C24 | HA1 | 110.2° | 109.5° |
| O23 | C24 | HB2 | 110.2° | 109.5° |
| C25 | C24 | HA1 | 110.2° | 109.4° |
| C25 | C24 | HB2 | 110.2° | 109.4° |
| C24 | C25 | C26 | 117.5° | 109.5° |
| C24 | C25 | O30 | 109.9° | 109.5° |
| C24 | C25 | HG | 105.8° | 109.5° |
| HA1 | C24 | HB2 | 100.0° | 109.4° |
| C10 | C11 | C12 | 120.1° | 120.2° |
| C10 | C11 | HH | 119.9° | 119.9° |
| C11 | C10 | C9 | 120.4° | 120.1° |
| C11 | C10 | HI | 119.8° | 120.0° |
| C12 | C11 | HH | 119.9° | 119.9° |
| C11 | C12 | C13 | 120.5° | 120.1° |
| C11 | C12 | HJ | 119.7° | 120.0° |
| C9 | C10 | HI | 119.8° | 119.9° |
| C10 | C9 | C8 | 120.7° | 119.9° |
| C10 | C9 | F14 | 118.3° | 120.1° |
| C8 | C9 | F14 | 121.0° | 120.0° |
| C9 | C8 | C13 | 118.0° | 119.8° |
| C8 | C13 | C12 | 120.2° | 119.9° |
| C8 | C13 | F15 | 122.9° | 120.1° |
| C13 | C12 | HJ | 119.8° | 119.9° |
| C12 | C13 | F15 | 116.8° | 120.0° |
| C26 | C25 | O30 | 111.1° | 109.4° |
| C26 | C25 | HG | 105.9° | 109.5° |
| C25 | C26 | N27 | 116.5° | 109.5° |
| C25 | C26 | HB1 | 109.7° | 109.5° |
| C25 | C26 | HC2 | 109.7° | 109.4° |
| O30 | C25 | HG | 105.9° | 109.4° |
| C25 | O30 | HK | 109.9° | 106.9° |
| N27 | C26 | HB1 | 109.7° | 109.5° |
| N27 | C26 | HC2 | 109.7° | 109.4° |
| C26 | N27 | C28 | 113.2° | 106.8° |
| C26 | N27 | C29 | 112.0° | 106.7° |
| HB1 | C26 | HC2 | 100.5° | 109.5° |
| C28 | N27 | C29 | 110.0° | 106.7° |
| N27 | C28 | HC1 | 113.2° | 109.5° |
| N27 | C28 | HD2 | 110.9° | 109.5° |
| N27 | C28 | HE3 | 110.8° | 109.5° |
| N27 | C29 | HD1 | 112.0° | 109.5° |
| N27 | C29 | HE2 | 111.3° | 109.5° |
| N27 | C29 | HF3 | 111.3° | 109.5° |
| HC1 | C28 | HD2 | 110.8° | 109.4° |
| HC1 | C28 | HE3 | 110.9° | 109.5° |
| HD2 | C28 | HE3 | 99.5° | 109.4° |
| HD1 | C29 | HE2 | 111.3° | 109.5° |
| HD1 | C29 | HF3 | 111.3° | 109.5° |
| HE2 | C29 | HF3 | 99.0° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C17 | C22 | C21 | H22 | 180.0° | 179.8° |
| C22 | C17 | N16 | C5 | 131.8° | 147.1° |
| C22 | C17 | C18 | N16 | 179.8° | 179.9° |
| C22 | C17 | C18 | C19 | 0.3° | 0.1° |
| C22 | C17 | C18 | HE | 179.7° | 180.0° |
| C17 | C22 | C21 | C20 | 0.0° | 0.5° |
| C22 | C17 | N16 | HC | 48.2° | 33.0° |
| C17 | C22 | C21 | HA | 180.0° | 179.9° |
| C21 | C22 | C17 | C18 | 0.2° | 0.2° |
| C21 | C22 | C17 | N16 | 180.0° | 179.7° |
| C22 | C21 | C20 | C19 | 0.1° | 0.5° |
| C22 | C21 | C20 | HA | 180.0° | 179.4° |
| C22 | C21 | C20 | O23 | 179.7° | 179.7° |
| H22 | C22 | C17 | C18 | 179.8° | 180.0° |
| H22 | C22 | C17 | N16 | 0.0° | 0.1° |
| H22 | C22 | C21 | C20 | 180.0° | 179.7° |
| H22 | C22 | C21 | HA | 0.1° | 0.3° |
| N2 | C1 | N6 | HL | 180.0° | 179.8° |
| N2 | C1 | N6 | C5 | 0.0° | 0.5° |
| C1 | N2 | C3 | C4 | 0.0° | 0.0° |
| C1 | N2 | C3 | N7 | 179.8° | 179.9° |
| C1 | N6 | C5 | C4 | 0.1° | 0.5° |
| C1 | N6 | C5 | N16 | 179.5° | 179.8° |
| N6 | C1 | N2 | C3 | 0.0° | 0.2° |
| HL | C1 | N6 | C5 | 180.0° | 179.7° |
| HL | C1 | N2 | C3 | 180.0° | 179.9° |
| C4 | C5 | N6 | N16 | 179.6° | 179.7° |
| C5 | C4 | C3 | HB | 180.0° | 180.0° |
| C5 | C4 | C3 | N2 | 0.1° | 0.0° |
| C5 | C4 | C3 | N7 | 179.7° | 179.9° |
| C4 | C5 | N16 | C17 | 0.0° | 174.0° |
| C4 | C5 | N16 | HC | 180.0° | 5.9° |
| N6 | C5 | C4 | C3 | 0.1° | 0.2° |
| N6 | C5 | C4 | HB | 179.9° | 179.7° |
| N6 | C5 | N16 | C17 | 179.5° | 6.3° |
| N6 | C5 | N16 | HC | 0.5° | 173.9° |
| N16 | C5 | C4 | C3 | 179.4° | 180.0° |
| N16 | C5 | C4 | HB | 0.6° | 0.0° |
| C5 | N16 | C17 | C18 | 48.4° | 33.0° |
| C5 | N16 | C17 | HC | 180.0° | 179.9° |
| C4 | C3 | N2 | N7 | 179.8° | 179.9° |
| C4 | C3 | N7 | C8 | 17.4° | 0.1° |
| C4 | C3 | N7 | HD | 162.6° | 180.0° |
| HB | C4 | C3 | N2 | 179.9° | 180.0° |
| HB | C4 | C3 | N7 | 0.3° | 0.0° |
| N2 | C3 | N7 | C8 | 162.8° | 180.0° |
| N2 | C3 | N7 | HD | 17.2° | 0.1° |
| C3 | N7 | C8 | HD | 180.0° | 179.9° |
| C3 | N7 | C8 | C9 | 165.2° | 120.1° |
| C3 | N7 | C8 | C13 | 15.0° | 60.2° |
| C17 | C18 | C19 | HE | 180.0° | 179.9° |
| C17 | C18 | C19 | C20 | 0.1° | 0.1° |
| C17 | C18 | C19 | HF | 179.9° | 179.9° |
| C18 | C17 | N16 | HC | 131.6° | 146.8° |
| N16 | C17 | C18 | C19 | 179.9° | 180.0° |
| N16 | C17 | C18 | HE | 0.1° | 0.1° |
| C18 | C19 | C20 | HF | 180.0° | 180.0° |
| C18 | C19 | C20 | C21 | 0.1° | 0.3° |
| C18 | C19 | C20 | O23 | 179.8° | 180.0° |
| HE | C18 | C19 | C20 | 179.9° | 180.0° |
| HE | C18 | C19 | HF | 0.1° | 0.0° |
| C19 | C20 | C21 | O23 | 179.9° | 179.8° |
| C19 | C20 | C21 | HA | 179.9° | 180.0° |
| C19 | C20 | O23 | C24 | 82.3° | 180.0° |
| HF | C19 | C20 | C21 | 179.9° | 179.7° |
| HF | C19 | C20 | O23 | 0.2° | 0.0° |
| C21 | C20 | O23 | C24 | 97.6° | 0.3° |
| O23 | C20 | C21 | HA | 0.3° | 0.2° |
| C20 | O23 | C24 | C25 | 177.2° | 180.0° |
| C20 | O23 | C24 | HA1 | 57.5° | 60.0° |
| C20 | O23 | C24 | HB2 | 52.0° | 60.0° |
| N7 | C8 | C9 | C10 | 179.8° | 180.0° |
| N7 | C8 | C9 | C13 | 179.8° | 179.7° |
| N7 | C8 | C9 | F14 | 0.2° | 0.0° |
| N7 | C8 | C13 | C12 | 179.8° | 179.7° |
| N7 | C8 | C13 | F15 | 0.2° | 0.3° |
| HD | N7 | C8 | C9 | 14.8° | 60.0° |
| HD | N7 | C8 | C13 | 165.0° | 119.7° |
| O23 | C24 | C25 | HA1 | 125.3° | 120.0° |
| O23 | C24 | C25 | HB2 | 125.3° | 120.1° |
| O23 | C24 | HA1 | HB2 | 116.1° | 120.0° |
| O23 | C24 | C25 | C26 | 47.2° | 180.0° |
| O23 | C24 | C25 | O30 | 81.1° | 60.0° |
| O23 | C24 | C25 | HG | 165.0° | 60.0° |
| C25 | C24 | HA1 | HB2 | 116.0° | 119.9° |
| C24 | C25 | C26 | O30 | 127.7° | 120.0° |
| C24 | C25 | C26 | HG | 117.8° | 120.1° |
| C24 | C25 | O30 | HG | 113.8° | 120.0° |
| C24 | C25 | C26 | N27 | 113.5° | 179.0° |
| C24 | C25 | C26 | HB1 | 121.2° | 60.9° |
| C24 | C25 | C26 | HC2 | 11.8° | 59.1° |
| C24 | C25 | O30 | HK | 180.0° | 60.0° |
| HA1 | C24 | C25 | C26 | 78.1° | 59.9° |
| HA1 | C24 | C25 | O30 | 153.6° | 60.0° |
| HA1 | C24 | C25 | HG | 39.8° | 180.0° |
| HB2 | C24 | C25 | C26 | 172.4° | 60.0° |
| HB2 | C24 | C25 | O30 | 44.1° | 179.9° |
| HB2 | C24 | C25 | HG | 69.7° | 60.1° |
| C10 | C11 | C12 | HH | 180.0° | 180.0° |
| C11 | C10 | C9 | HI | 180.0° | 180.0° |
| C11 | C10 | C9 | C8 | 0.0° | 0.0° |
| C11 | C10 | C9 | F14 | 179.9° | 180.0° |
| C10 | C11 | C12 | C13 | 0.1° | 0.3° |
| C10 | C11 | C12 | HJ | 179.9° | 180.0° |
| C12 | C11 | C10 | C9 | 0.1° | 0.0° |
| C12 | C11 | C10 | HI | 179.9° | 180.0° |
| C11 | C12 | C13 | C8 | 0.0° | 0.6° |
| C11 | C12 | C13 | HJ | 180.0° | 179.8° |
| C11 | C12 | C13 | F15 | 179.9° | 180.0° |
| HH | C11 | C10 | C9 | 179.9° | 180.0° |
| HH | C11 | C10 | HI | 0.1° | 0.0° |
| HH | C11 | C12 | C13 | 179.9° | 179.7° |
| HH | C11 | C12 | HJ | 0.1° | 0.0° |
| C10 | C9 | C8 | F14 | 180.0° | 180.0° |
| C10 | C9 | C8 | C13 | 0.0° | 0.3° |
| HI | C10 | C9 | C8 | 180.0° | 180.0° |
| HI | C10 | C9 | F14 | 0.0° | 0.0° |
| C9 | C8 | C13 | C12 | 0.0° | 0.6° |
| C9 | C8 | C13 | F15 | 180.0° | 180.0° |
| F14 | C9 | C8 | C13 | 180.0° | 179.7° |
| C8 | C13 | C12 | F15 | 180.0° | 179.4° |
| C8 | C13 | C12 | HJ | 180.0° | 179.7° |
| HJ | C12 | C13 | F15 | 0.1° | 0.3° |
| C26 | C25 | O30 | HG | 114.5° | 120.0° |
| C25 | C26 | N27 | HB1 | 125.3° | 120.1° |
| C25 | C26 | N27 | HC2 | 125.3° | 119.9° |
| C25 | C26 | HB1 | HC2 | 115.5° | 120.0° |
| C25 | C26 | N27 | C28 | 81.5° | 76.6° |
| C25 | C26 | N27 | C29 | 153.4° | 169.7° |
| C26 | C25 | O30 | HK | 48.3° | 60.0° |
| O30 | C25 | C26 | N27 | 118.8° | 61.0° |
| O30 | C25 | C26 | HB1 | 6.5° | 59.1° |
| O30 | C25 | C26 | HC2 | 115.9° | 179.1° |
| HG | C25 | C26 | N27 | 4.3° | 58.9° |
| HG | C25 | C26 | HB1 | 120.9° | 179.0° |
| HG | C25 | C26 | HC2 | 129.6° | 61.0° |
| HG | C25 | O30 | HK | 66.2° | 180.0° |
| N27 | C26 | HB1 | HC2 | 115.5° | 120.0° |
| C26 | N27 | C28 | C29 | 126.1° | 113.8° |
| C26 | N27 | C28 | HC1 | 180.0° | 180.0° |
| C26 | N27 | C28 | HD2 | 54.8° | 60.0° |
| C26 | N27 | C28 | HE3 | 54.7° | 59.9° |
| C26 | N27 | C29 | HD1 | 180.0° | 61.5° |
| C26 | N27 | C29 | HE2 | 54.7° | 178.4° |
| C26 | N27 | C29 | HF3 | 54.7° | 58.5° |
| HB1 | C26 | N27 | C28 | 43.8° | 163.4° |
| HB1 | C26 | N27 | C29 | 81.3° | 49.6° |
| HC2 | C26 | N27 | C28 | 153.3° | 43.4° |
| HC2 | C26 | N27 | C29 | 28.2° | 70.4° |
| N27 | C28 | HC1 | HD2 | 125.3° | 120.0° |
| N27 | C28 | HC1 | HE3 | 125.2° | 120.1° |
| N27 | C28 | HD2 | HE3 | 116.7° | 120.0° |
| C28 | N27 | C29 | HD1 | 53.2° | 175.4° |
| C28 | N27 | C29 | HE2 | 72.1° | 64.6° |
| C28 | N27 | C29 | HF3 | 178.5° | 55.4° |
| C29 | N27 | C28 | HC1 | 53.9° | 66.2° |
| C29 | N27 | C28 | HD2 | 179.1° | 173.8° |
| C29 | N27 | C28 | HE3 | 71.4° | 53.9° |
| N27 | C29 | HD1 | HE2 | 125.3° | 120.0° |
| N27 | C29 | HD1 | HF3 | 125.3° | 120.0° |
| N27 | C29 | HE2 | HF3 | 117.2° | 120.0° |
| HC1 | C28 | HD2 | HE3 | 116.7° | 119.9° |
| HD1 | C29 | HE2 | HF3 | 117.2° | 120.0° |
