F1N
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | O30 | sing | 1.43Å | 1.44Å | |
| C31 | C33 | sing | 1.53Å | 1.52Å | |
| C31 | C32 | sing | 1.53Å | 1.53Å | |
| C28 | C27 | doub | 1.39Å | 1.40Å | Aromatic |
| C28 | O34 | sing | 1.36Å | 1.38Å | |
| C28 | C29 | sing | 1.39Å | 1.39Å | Aromatic |
| C27 | C26 | sing | 1.38Å | 1.39Å | Aromatic |
| C26 | CL36 | sing | 1.74Å | 1.79Å | |
| C26 | C25 | doub | 1.38Å | 1.39Å | Aromatic |
| C24 | C23 | sing | 1.51Å | 1.51Å | |
| C24 | C29 | doub | 1.39Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.39Å | Aromatic |
| C23 | N20 | sing | 1.47Å | 1.46Å | |
| C22 | C17 | sing | 1.53Å | 1.53Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C17 | C18 | sing | 1.53Å | 1.53Å | |
| C17 | N4 | sing | 1.47Å | 1.45Å | |
| C12 | C11 | sing | 1.51Å | 1.51Å | |
| C11 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C11 | C6 | sing | 1.39Å | 1.39Å | Aromatic |
| C10 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.40Å | Aromatic |
| C9 | S13 | sing | 1.76Å | 1.60Å | |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C7 | C6 | doub | 1.39Å | 1.40Å | Aromatic |
| C6 | O5 | sing | 1.36Å | 1.38Å | |
| C3 | C2 | sing | 1.51Å | 1.51Å | |
| C3 | O5 | sing | 1.43Å | 1.43Å | |
| C2 | N4 | sing | 1.35Å | 1.33Å | |
| C2 | O1 | doub | 1.21Å | 1.22Å | |
| O34 | C35 | sing | 1.43Å | 1.43Å | |
| C29 | O30 | sing | 1.36Å | 1.38Å | |
| N20 | C21 | sing | 1.47Å | 1.46Å | |
| N20 | C19 | sing | 1.47Å | 1.46Å | |
| C19 | C18 | sing | 1.53Å | 1.53Å | |
| S13 | O15 | doub | 1.42Å | 1.43Å | |
| S13 | O16 | doub | 1.42Å | 1.44Å | |
| S13 | N14 | sing | 1.66Å | 1.60Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C23 | H23 | sing | 1.09Å | 1.10Å | |
| C23 | H23A | sing | 1.09Å | 1.10Å | |
| C22 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H22A | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H12A | sing | 1.09Å | 1.10Å | |
| C12 | H12B | sing | 1.09Å | 1.10Å | |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H3A | sing | 1.09Å | 1.10Å | |
| C35 | H35 | sing | 1.09Å | 1.10Å | |
| C35 | H35A | sing | 1.09Å | 1.10Å | |
| C35 | H35B | sing | 1.09Å | 1.10Å | |
| C33 | H33 | sing | 1.09Å | 1.10Å | |
| C33 | H33A | sing | 1.09Å | 1.10Å | |
| C33 | H33B | sing | 1.09Å | 1.10Å | |
| C32 | H32 | sing | 1.09Å | 1.10Å | |
| C32 | H32A | sing | 1.09Å | 1.10Å | |
| C32 | H32B | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C21 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H21A | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C19 | H19A | sing | 1.09Å | 1.10Å | |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C18 | H18A | sing | 1.09Å | 1.10Å | |
| N4 | HN4 | sing | 0.97Å | 1.00Å | |
| N14 | HN14 | sing | 0.97Å | 1.00Å | |
| N14 | HN1A | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O30 | C31 | C33 | 109.5° | 109.5° |
| O30 | C31 | C32 | 112.8° | 109.4° |
| C31 | O30 | C29 | 123.9° | 117.0° |
| O30 | C31 | H31 | 107.5° | 109.5° |
| C33 | C31 | C32 | 110.4° | 109.5° |
| C33 | C31 | H31 | 110.0° | 109.4° |
| C31 | C33 | H33 | 109.5° | 109.4° |
| C31 | C33 | H33A | 109.5° | 109.5° |
| C31 | C33 | H33B | 109.4° | 109.5° |
| C32 | C31 | H31 | 106.5° | 109.5° |
| C31 | C32 | H32 | 109.5° | 109.5° |
| C31 | C32 | H32A | 109.5° | 109.5° |
| C31 | C32 | H32B | 109.5° | 109.5° |
| C27 | C28 | O34 | 121.0° | 120.1° |
| C27 | C28 | C29 | 119.8° | 119.9° |
| C28 | C27 | C26 | 120.2° | 120.0° |
| C28 | C27 | H27 | 119.9° | 120.0° |
| O34 | C28 | C29 | 119.3° | 120.1° |
| C28 | O34 | C35 | 122.2° | 117.0° |
| C28 | C29 | C24 | 119.9° | 119.9° |
| C28 | C29 | O30 | 120.1° | 120.1° |
| C27 | C26 | CL36 | 120.4° | 119.9° |
| C27 | C26 | C25 | 119.9° | 120.1° |
| C26 | C27 | H27 | 119.9° | 120.1° |
| CL36 | C26 | C25 | 119.7° | 120.0° |
| C26 | C25 | C24 | 120.0° | 120.1° |
| C26 | C25 | H25 | 120.0° | 120.0° |
| C23 | C24 | C29 | 120.7° | 120.0° |
| C23 | C24 | C25 | 119.1° | 120.0° |
| C24 | C23 | N20 | 109.9° | 109.5° |
| C24 | C23 | H23 | 109.4° | 109.5° |
| C24 | C23 | H23A | 109.3° | 109.5° |
| C29 | C24 | C25 | 120.2° | 120.0° |
| C24 | C29 | O30 | 120.0° | 120.1° |
| C24 | C25 | H25 | 120.0° | 119.9° |
| C23 | N20 | C21 | 109.8° | 111.0° |
| C23 | N20 | C19 | 110.9° | 111.0° |
| N20 | C23 | H23 | 109.3° | 109.5° |
| N20 | C23 | H23A | 109.3° | 109.4° |
| C17 | C22 | C21 | 111.4° | 109.3° |
| C22 | C17 | C18 | 109.8° | 109.2° |
| C22 | C17 | N4 | 110.4° | 109.6° |
| C17 | C22 | H22 | 108.8° | 109.4° |
| C17 | C22 | H22A | 108.4° | 109.5° |
| C22 | C17 | H17 | 108.8° | 109.5° |
| C22 | C21 | N20 | 106.6° | 109.5° |
| C21 | C22 | H22 | 108.8° | 109.5° |
| C21 | C22 | H22A | 108.4° | 109.5° |
| C22 | C21 | H21 | 110.4° | 109.4° |
| C22 | C21 | H21A | 111.0° | 109.5° |
| C18 | C17 | N4 | 109.9° | 109.5° |
| C17 | C18 | C19 | 110.1° | 109.3° |
| C18 | C17 | H17 | 109.3° | 109.5° |
| C17 | C18 | H18 | 109.2° | 109.6° |
| C17 | C18 | H18A | 109.1° | 109.5° |
| C17 | N4 | C2 | 123.1° | 120.0° |
| N4 | C17 | H17 | 108.7° | 109.6° |
| C17 | N4 | HN4 | 118.4° | 120.0° |
| C12 | C11 | C10 | 119.5° | 120.1° |
| C12 | C11 | C6 | 120.4° | 120.0° |
| C11 | C12 | H12 | 109.5° | 109.4° |
| C11 | C12 | H12A | 109.5° | 109.5° |
| C11 | C12 | H12B | 109.5° | 109.5° |
| C10 | C11 | C6 | 120.1° | 119.9° |
| C11 | C10 | C9 | 120.6° | 120.1° |
| C11 | C10 | H10 | 119.7° | 120.0° |
| C11 | C6 | C7 | 119.5° | 119.9° |
| C11 | C6 | O5 | 119.0° | 120.0° |
| C10 | C9 | C8 | 119.4° | 120.1° |
| C10 | C9 | S13 | 119.4° | 120.0° |
| C9 | C10 | H10 | 119.7° | 119.9° |
| C8 | C9 | S13 | 121.2° | 119.9° |
| C9 | C8 | C7 | 119.9° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.1° |
| C9 | S13 | O15 | 109.1° | 106.4° |
| C9 | S13 | O16 | 111.3° | 106.4° |
| C9 | S13 | N14 | 108.6° | 107.2° |
| C8 | C7 | C6 | 120.5° | 120.0° |
| C7 | C8 | H8 | 120.0° | 119.9° |
| C8 | C7 | H7 | 119.7° | 120.0° |
| C7 | C6 | O5 | 121.5° | 120.1° |
| C6 | C7 | H7 | 119.7° | 120.0° |
| C6 | O5 | C3 | 124.0° | 117.0° |
| C2 | C3 | O5 | 112.0° | 109.5° |
| C3 | C2 | N4 | 114.8° | 120.0° |
| C3 | C2 | O1 | 120.6° | 120.0° |
| C2 | C3 | H3 | 108.6° | 109.5° |
| C2 | C3 | H3A | 108.1° | 109.4° |
| O5 | C3 | H3 | 108.6° | 109.5° |
| O5 | C3 | H3A | 108.0° | 109.5° |
| N4 | C2 | O1 | 124.5° | 120.1° |
| C2 | N4 | HN4 | 118.5° | 120.0° |
| O34 | C35 | H35 | 109.5° | 109.5° |
| O34 | C35 | H35A | 109.4° | 109.5° |
| O34 | C35 | H35B | 109.5° | 109.5° |
| C21 | N20 | C19 | 110.8° | 111.2° |
| N20 | C21 | H21 | 110.5° | 109.5° |
| N20 | C21 | H21A | 111.0° | 109.5° |
| N20 | C19 | C18 | 106.0° | 109.5° |
| N20 | C19 | H19 | 110.6° | 109.5° |
| N20 | C19 | H19A | 111.4° | 109.5° |
| C18 | C19 | H19 | 110.6° | 109.5° |
| C18 | C19 | H19A | 111.4° | 109.5° |
| C19 | C18 | H18 | 109.3° | 109.5° |
| C19 | C18 | H18A | 109.1° | 109.5° |
| O15 | S13 | O16 | 109.2° | 123.2° |
| O15 | S13 | N14 | 109.6° | 106.4° |
| O16 | S13 | N14 | 109.1° | 106.4° |
| S13 | N14 | HN14 | 109.5° | 120.0° |
| S13 | N14 | HN1A | 109.5° | 120.1° |
| H23 | C23 | H23A | 109.8° | 109.4° |
| H22 | C22 | H22A | 111.0° | 109.5° |
| H12 | C12 | H12A | 109.5° | 109.5° |
| H12 | C12 | H12B | 109.5° | 109.5° |
| H12A | C12 | H12B | 109.5° | 109.5° |
| H3 | C3 | H3A | 111.5° | 109.4° |
| H35 | C35 | H35A | 109.5° | 109.4° |
| H35 | C35 | H35B | 109.4° | 109.4° |
| H35A | C35 | H35B | 109.5° | 109.5° |
| H33 | C33 | H33A | 109.5° | 109.4° |
| H33 | C33 | H33B | 109.5° | 109.5° |
| H33A | C33 | H33B | 109.5° | 109.5° |
| H32 | C32 | H32A | 109.5° | 109.5° |
| H32 | C32 | H32B | 109.4° | 109.5° |
| H32A | C32 | H32B | 109.5° | 109.4° |
| H21 | C21 | H21A | 107.3° | 109.5° |
| H19 | C19 | H19A | 106.8° | 109.4° |
| H18 | C18 | H18A | 110.0° | 109.5° |
| HN14 | N14 | HN1A | 109.4° | 120.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O30 | C31 | C33 | C32 | 124.8° | 120.0° |
| O30 | C31 | C33 | H31 | 117.9° | 120.0° |
| O30 | C31 | C32 | H31 | 117.7° | 120.0° |
| C31 | O30 | C29 | C28 | 73.5° | 90.0° |
| C31 | O30 | C29 | C24 | 107.0° | 90.0° |
| O30 | C31 | C33 | H33 | 34.7° | 60.0° |
| O30 | C31 | C33 | H33A | 154.8° | 179.9° |
| O30 | C31 | C33 | H33B | 85.3° | 60.0° |
| O30 | C31 | C32 | H32 | 135.2° | 180.0° |
| O30 | C31 | C32 | H32A | 104.8° | 60.0° |
| O30 | C31 | C32 | H32B | 15.2° | 60.0° |
| C33 | C31 | C32 | H31 | 119.4° | 120.0° |
| C33 | C31 | O30 | C29 | 150.0° | 150.0° |
| C31 | C33 | H33 | H33A | 120.0° | 120.0° |
| C31 | C33 | H33 | H33B | 119.9° | 120.0° |
| C31 | C33 | H33A | H33B | 120.0° | 120.0° |
| C33 | C31 | C32 | H32 | 12.2° | 60.0° |
| C33 | C31 | C32 | H32A | 132.2° | 60.0° |
| C33 | C31 | C32 | H32B | 107.7° | 180.0° |
| C32 | C31 | O30 | C29 | 26.5° | 90.0° |
| C32 | C31 | C33 | H33 | 159.5° | 60.0° |
| C32 | C31 | C33 | H33A | 80.4° | 60.0° |
| C32 | C31 | C33 | H33B | 39.6° | 180.0° |
| C31 | C32 | H32 | H32A | 120.0° | 120.0° |
| C31 | C32 | H32 | H32B | 120.0° | 120.0° |
| C31 | C32 | H32A | H32B | 120.0° | 120.0° |
| C27 | C28 | O34 | C29 | 180.0° | 179.7° |
| C28 | C27 | C26 | H27 | 180.0° | 180.0° |
| C28 | C27 | C26 | CL36 | 179.9° | 180.0° |
| C28 | C27 | C26 | C25 | 0.1° | 0.0° |
| C27 | C28 | C29 | C24 | 0.3° | 0.0° |
| C27 | C28 | O34 | C35 | 31.3° | 0.0° |
| C27 | C28 | C29 | O30 | 179.8° | 180.0° |
| O34 | C28 | C27 | C26 | 179.8° | 180.0° |
| O34 | C28 | C29 | C24 | 179.6° | 179.7° |
| O34 | C28 | C29 | O30 | 0.1° | 0.3° |
| O34 | C28 | C27 | H27 | 0.1° | 0.1° |
| C28 | O34 | C35 | H35 | 28.5° | 60.0° |
| C28 | O34 | C35 | H35A | 91.5° | 180.0° |
| C28 | O34 | C35 | H35B | 148.5° | 60.0° |
| C29 | C28 | C27 | C26 | 0.1° | 0.3° |
| C28 | C29 | C24 | C23 | 179.4° | 180.0° |
| C28 | C29 | C24 | O30 | 179.5° | 180.0° |
| C28 | C29 | C24 | C25 | 0.3° | 0.6° |
| C29 | C28 | O34 | C35 | 148.7° | 179.7° |
| C29 | C28 | C27 | H27 | 179.9° | 179.8° |
| C27 | C26 | CL36 | C25 | 179.9° | 180.0° |
| C27 | C26 | C25 | C24 | 0.0° | 0.6° |
| C27 | C26 | C25 | H25 | 180.0° | 180.0° |
| CL36 | C26 | C25 | C24 | 179.9° | 179.4° |
| CL36 | C26 | C27 | H27 | 0.0° | 0.0° |
| CL36 | C26 | C25 | H25 | 0.1° | 0.0° |
| C26 | C25 | C24 | C23 | 179.5° | 179.7° |
| C26 | C25 | C24 | C29 | 0.1° | 0.9° |
| C26 | C25 | C24 | H25 | 180.0° | 179.4° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| C23 | C24 | C29 | C25 | 179.7° | 179.4° |
| C24 | C23 | N20 | H23 | 120.0° | 120.0° |
| C24 | C23 | N20 | H23A | 119.8° | 120.0° |
| C23 | C24 | C29 | O30 | 0.2° | 0.0° |
| C24 | C23 | N20 | C21 | 167.7° | 170.0° |
| C24 | C23 | N20 | C19 | 69.5° | 65.8° |
| C24 | C23 | H23 | H23A | 119.9° | 120.0° |
| C23 | C24 | C25 | H25 | 0.5° | 0.3° |
| C29 | C24 | C23 | N20 | 116.3° | 80.0° |
| C29 | C24 | C23 | H23 | 3.7° | 159.9° |
| C29 | C24 | C23 | H23A | 123.9° | 40.0° |
| C29 | C24 | C25 | H25 | 179.9° | 179.7° |
| C25 | C24 | C23 | N20 | 63.4° | 100.6° |
| C25 | C24 | C29 | O30 | 179.8° | 179.4° |
| C25 | C24 | C23 | H23 | 176.7° | 19.5° |
| C25 | C24 | C23 | H23A | 56.5° | 139.4° |
| C23 | N20 | C21 | C22 | 169.9° | 174.2° |
| C23 | N20 | C21 | C19 | 122.8° | 124.1° |
| C23 | N20 | C19 | C18 | 168.6° | 174.2° |
| N20 | C23 | H23 | H23A | 119.8° | 119.9° |
| C23 | N20 | C21 | H21 | 49.9° | 54.2° |
| C23 | N20 | C21 | H21A | 69.0° | 65.8° |
| C23 | N20 | C19 | H19 | 48.5° | 54.1° |
| C23 | N20 | C19 | H19A | 70.1° | 65.8° |
| C17 | C22 | C21 | H22 | 120.0° | 119.9° |
| C17 | C22 | C21 | H22A | 119.2° | 120.0° |
| C22 | C17 | C18 | N4 | 121.5° | 120.0° |
| C22 | C17 | C18 | H17 | 119.3° | 119.8° |
| C22 | C17 | N4 | H17 | 119.3° | 120.1° |
| C22 | C17 | N4 | C2 | 90.8° | 155.0° |
| C17 | C22 | C21 | N20 | 57.7° | 59.2° |
| C22 | C17 | C18 | C19 | 54.3° | 57.6° |
| C17 | C22 | H22 | H22A | 119.2° | 120.1° |
| C17 | C22 | C21 | H21 | 177.7° | 179.1° |
| C17 | C22 | C21 | H21A | 63.4° | 60.8° |
| C22 | C17 | C18 | H18 | 174.4° | 177.5° |
| C22 | C17 | C18 | H18A | 65.4° | 62.3° |
| C22 | C17 | N4 | HN4 | 89.2° | 25.0° |
| C21 | C22 | C17 | C18 | 52.8° | 57.6° |
| C21 | C22 | C17 | N4 | 174.0° | 177.6° |
| C22 | C21 | N20 | H21 | 120.0° | 119.9° |
| C22 | C21 | N20 | H21A | 121.1° | 120.0° |
| C22 | C21 | N20 | C19 | 67.2° | 61.8° |
| C21 | C22 | H22 | H22A | 119.2° | 120.1° |
| C21 | C22 | C17 | H17 | 66.8° | 62.2° |
| C22 | C21 | H21 | H21A | 121.1° | 120.0° |
| C18 | C17 | N4 | H17 | 119.6° | 120.1° |
| C18 | C17 | N4 | C2 | 148.0° | 85.3° |
| C17 | C18 | C19 | N20 | 61.2° | 59.2° |
| C17 | C18 | C19 | H18 | 120.0° | 120.0° |
| C17 | C18 | C19 | H18A | 119.7° | 120.0° |
| C18 | C17 | C22 | H22 | 67.2° | 62.3° |
| C18 | C17 | C22 | H22A | 172.0° | 177.6° |
| C17 | C18 | C19 | H19 | 178.9° | 179.2° |
| C17 | C18 | C19 | H19A | 60.2° | 60.9° |
| C17 | C18 | H18 | H18A | 119.7° | 120.1° |
| C18 | C17 | N4 | HN4 | 32.0° | 94.7° |
| C17 | N4 | C2 | C3 | 172.8° | 180.0° |
| C17 | N4 | C2 | HN4 | 180.0° | 180.0° |
| C17 | N4 | C2 | O1 | 7.5° | 0.1° |
| N4 | C17 | C18 | C19 | 175.9° | 177.6° |
| N4 | C17 | C22 | H22 | 54.0° | 57.6° |
| N4 | C17 | C22 | H22A | 66.8° | 62.4° |
| N4 | C17 | C18 | H18 | 64.1° | 62.5° |
| N4 | C17 | C18 | H18A | 56.1° | 57.6° |
| C12 | C11 | C10 | C6 | 179.8° | 179.7° |
| C12 | C11 | C10 | C9 | 179.9° | 180.0° |
| C12 | C11 | C6 | C7 | 179.8° | 179.7° |
| C12 | C11 | C6 | O5 | 0.1° | 0.1° |
| C11 | C12 | H12 | H12A | 120.0° | 120.0° |
| C11 | C12 | H12 | H12B | 120.0° | 120.0° |
| C11 | C12 | H12A | H12B | 120.0° | 120.0° |
| C12 | C11 | C10 | H10 | 0.0° | 0.1° |
| C11 | C10 | C9 | H10 | 180.0° | 179.9° |
| C11 | C10 | C9 | C8 | 0.3° | 0.0° |
| C11 | C10 | C9 | S13 | 180.0° | 180.0° |
| C10 | C11 | C6 | C7 | 0.4° | 0.6° |
| C10 | C11 | C6 | O5 | 179.9° | 179.7° |
| C10 | C11 | C12 | H12 | 45.3° | 90.0° |
| C10 | C11 | C12 | H12A | 165.2° | 150.0° |
| C10 | C11 | C12 | H12B | 74.7° | 29.9° |
| C6 | C11 | C10 | C9 | 0.3° | 0.3° |
| C11 | C6 | C7 | C8 | 0.4° | 0.6° |
| C11 | C6 | C7 | O5 | 179.7° | 179.7° |
| C11 | C6 | O5 | C3 | 159.7° | 180.0° |
| C6 | C11 | C12 | H12 | 134.5° | 90.3° |
| C6 | C11 | C12 | H12A | 14.5° | 29.6° |
| C6 | C11 | C12 | H12B | 105.5° | 149.7° |
| C6 | C11 | C10 | H10 | 179.8° | 179.7° |
| C11 | C6 | C7 | H7 | 179.5° | 179.6° |
| C10 | C9 | C8 | S13 | 179.7° | 180.0° |
| C10 | C9 | C8 | C7 | 0.3° | 0.0° |
| C10 | C9 | S13 | O15 | 48.2° | 156.5° |
| C10 | C9 | S13 | O16 | 168.7° | 23.5° |
| C10 | C9 | S13 | N14 | 71.2° | 90.0° |
| C10 | C9 | C8 | H8 | 179.7° | 179.9° |
| C9 | C8 | C7 | H8 | 180.0° | 180.0° |
| C9 | C8 | C7 | C6 | 0.4° | 0.3° |
| C8 | C9 | S13 | O15 | 132.1° | 23.5° |
| C8 | C9 | S13 | O16 | 11.5° | 156.5° |
| C8 | C9 | S13 | N14 | 108.6° | 90.0° |
| C8 | C9 | C10 | H10 | 179.8° | 180.0° |
| C9 | C8 | C7 | H7 | 179.6° | 179.9° |
| S13 | C9 | C8 | C7 | 179.9° | 180.0° |
| C9 | S13 | O15 | O16 | 121.8° | 122.9° |
| C9 | S13 | O15 | N14 | 118.8° | 114.1° |
| C9 | S13 | O16 | N14 | 119.8° | 114.1° |
| S13 | C9 | C10 | H10 | 0.0° | 0.0° |
| S13 | C9 | C8 | H8 | 0.1° | 0.0° |
| C9 | S13 | N14 | HN14 | 130.0° | 150.1° |
| C9 | S13 | N14 | HN1A | 10.0° | 30.0° |
| C8 | C7 | C6 | H7 | 180.0° | 179.8° |
| C8 | C7 | C6 | O5 | 179.8° | 179.7° |
| C7 | C6 | O5 | C3 | 20.6° | 0.3° |
| C6 | C7 | C8 | H8 | 179.6° | 179.7° |
| C6 | O5 | C3 | C2 | 69.5° | 180.0° |
| O5 | C6 | C7 | H7 | 0.2° | 0.0° |
| C6 | O5 | C3 | H3 | 170.5° | 60.0° |
| C6 | O5 | C3 | H3A | 49.4° | 60.0° |
| C2 | C3 | O5 | H3 | 120.0° | 120.1° |
| C2 | C3 | O5 | H3A | 118.9° | 120.0° |
| C3 | C2 | N4 | O1 | 179.7° | 179.9° |
| C2 | C3 | H3 | H3A | 119.0° | 120.0° |
| C3 | C2 | N4 | HN4 | 7.2° | 0.0° |
| O5 | C3 | C2 | N4 | 138.2° | 180.0° |
| O5 | C3 | C2 | O1 | 42.1° | 0.0° |
| O5 | C3 | H3 | H3A | 118.9° | 120.0° |
| C2 | N4 | C17 | H17 | 28.4° | 34.9° |
| N4 | C2 | C3 | H3 | 101.8° | 59.9° |
| N4 | C2 | C3 | H3A | 19.3° | 60.0° |
| O1 | C2 | C3 | H3 | 77.9° | 120.0° |
| O1 | C2 | C3 | H3A | 161.0° | 120.0° |
| O1 | C2 | N4 | HN4 | 172.5° | 180.0° |
| O34 | C35 | H35 | H35A | 120.0° | 120.0° |
| O34 | C35 | H35 | H35B | 120.0° | 120.0° |
| O34 | C35 | H35A | H35B | 120.0° | 120.0° |
| C29 | O30 | C31 | H31 | 90.6° | 30.0° |
| C21 | N20 | C19 | C18 | 69.2° | 61.8° |
| C21 | N20 | C23 | H23 | 72.3° | 69.9° |
| C21 | N20 | C23 | H23A | 47.9° | 50.0° |
| N20 | C21 | C22 | H22 | 62.3° | 60.7° |
| N20 | C21 | C22 | H22A | 176.9° | 179.2° |
| N20 | C21 | H21 | H21A | 121.2° | 120.0° |
| C21 | N20 | C19 | H19 | 170.8° | 178.2° |
| C21 | N20 | C19 | H19A | 52.1° | 58.3° |
| N20 | C19 | C18 | H19 | 120.0° | 120.0° |
| N20 | C19 | C18 | H19A | 121.4° | 120.0° |
| C19 | N20 | C23 | H23 | 50.5° | 54.2° |
| C19 | N20 | C23 | H23A | 170.7° | 174.2° |
| C19 | N20 | C21 | H21 | 172.8° | 178.3° |
| C19 | N20 | C21 | H21A | 53.9° | 58.3° |
| N20 | C19 | H19 | H19A | 121.4° | 120.0° |
| N20 | C19 | C18 | H18 | 178.9° | 179.2° |
| N20 | C19 | C18 | H18A | 58.6° | 60.8° |
| C19 | C18 | C17 | H17 | 64.9° | 62.2° |
| C18 | C19 | H19 | H19A | 121.4° | 120.0° |
| C19 | C18 | H18 | H18A | 119.7° | 120.0° |
| O15 | S13 | O16 | N14 | 119.7° | 123.0° |
| O15 | S13 | N14 | HN14 | 110.9° | 36.5° |
| O15 | S13 | N14 | HN1A | 129.1° | 143.5° |
| O16 | S13 | N14 | HN14 | 8.5° | 96.4° |
| O16 | S13 | N14 | HN1A | 111.4° | 83.5° |
| S13 | N14 | HN14 | HN1A | 120.0° | 179.9° |
| H31 | C31 | C33 | H33 | 83.2° | 180.0° |
| H31 | C31 | C33 | H33A | 36.8° | 60.0° |
| H31 | C31 | C33 | H33B | 156.8° | 60.0° |
| H31 | C31 | C32 | H32 | 107.2° | 60.0° |
| H31 | C31 | C32 | H32A | 12.9° | NaN° |
| H31 | C31 | C32 | H32B | 132.9° | 60.0° |
| H22 | C22 | C17 | H17 | 173.2° | 177.8° |
| H22 | C22 | C21 | H21 | 57.7° | 59.2° |
| H22 | C22 | C21 | H21A | 176.6° | 179.3° |
| H22A | C22 | C17 | H17 | 52.4° | 57.8° |
| H22A | C22 | C21 | H21 | 63.1° | 60.9° |
| H22A | C22 | C21 | H21A | 55.8° | 59.2° |
| H17 | C17 | C18 | H18 | 55.1° | 57.7° |
| H17 | C17 | C18 | H18A | 175.3° | 177.8° |
| H17 | C17 | N4 | HN4 | 151.6° | 145.2° |
| H12 | C12 | H12A | H12B | 120.0° | 120.0° |
| H8 | C8 | C7 | H7 | 0.4° | 0.1° |
| H35 | C35 | H35A | H35B | 120.0° | 120.0° |
| H33 | C33 | H33A | H33B | 120.0° | 120.0° |
| H32 | C32 | H32A | H32B | 119.9° | 120.0° |
| H19 | C19 | C18 | H18 | 58.9° | 60.8° |
| H19 | C19 | C18 | H18A | 61.4° | 59.3° |
| H19A | C19 | C18 | H18 | 59.8° | 59.1° |
| H19A | C19 | C18 | H18A | 179.9° | 179.2° |
