XMF
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.36Å | 1.45Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.46Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | doub | 1.39Å | 1.49Å | Aromatic |
| C2 | S12 | sing | 1.76Å | 1.74Å | |
| C3 | C4 | doub | 1.41Å | 1.48Å | Aromatic |
| C3 | C6 | sing | 1.42Å | 1.54Å | Aromatic |
| C3 | C9 | sing | 1.40Å | 1.46Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.44Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | sing | 1.41Å | 1.47Å | Aromatic |
| CL7 | C11 | sing | 1.74Å | 1.74Å | |
| C8 | C10 | doub | 1.36Å | 1.42Å | Aromatic |
| C8 | H18 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.36Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.40Å | 1.47Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| S12 | O13 | doub | 1.42Å | 1.54Å | |
| S12 | N16 | sing | 1.66Å | 1.73Å | |
| S12 | O21 | doub | 1.42Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.57Å | |
| C14 | N20 | sing | 1.46Å | 1.51Å | |
| C14 | H141 | sing | 1.09Å | 1.10Å | |
| C14 | H142 | sing | 1.09Å | 1.10Å | |
| C15 | N16 | sing | 1.47Å | 1.50Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| N16 | C19 | sing | 1.47Å | 1.49Å | |
| C17 | O18 | doub | 1.21Å | 1.23Å | |
| C17 | C19 | sing | 1.50Å | 1.57Å | |
| C17 | N20 | sing | 1.33Å | 1.44Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| N20 | C22 | sing | 1.47Å | 1.50Å | |
| C22 | C30 | sing | 1.53Å | 1.58Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C26 | doub | 1.38Å | 1.44Å | Aromatic |
| C23 | N34 | sing | 1.32Å | 1.38Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N24 | C25 | sing | 1.39Å | 1.51Å | |
| N24 | C27 | sing | 1.47Å | 1.57Å | |
| N24 | C29 | sing | 1.47Å | 1.56Å | |
| C25 | C26 | sing | 1.40Å | 1.49Å | Aromatic |
| C25 | C28 | doub | 1.39Å | 1.48Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C33 | sing | 1.53Å | 1.59Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C35 | sing | 1.38Å | 1.44Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C36 | sing | 1.53Å | 1.57Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.53Å | 1.59Å | |
| C30 | C33 | sing | 1.53Å | 1.59Å | |
| C30 | C36 | sing | 1.53Å | 1.59Å | |
| C31 | O32 | sing | 1.43Å | 1.42Å | |
| C31 | H311 | sing | 1.09Å | 1.10Å | |
| C31 | H312 | sing | 1.09Å | 1.10Å | |
| O32 | H32 | sing | 0.97Å | 0.95Å | |
| C33 | H331 | sing | 1.09Å | 1.10Å | |
| C33 | H332 | sing | 1.09Å | 1.10Å | |
| N34 | C35 | doub | 1.32Å | 1.39Å | Aromatic |
| C35 | H35 | sing | 1.08Å | 1.08Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 122.0° | 119.7° |
| C2 | C1 | H1 | 119.0° | 120.1° |
| C1 | C2 | C5 | 118.7° | 121.0° |
| C1 | C2 | S12 | 119.8° | 119.6° |
| C6 | C1 | H1 | 119.0° | 120.2° |
| C1 | C6 | C3 | 118.8° | 119.3° |
| C1 | C6 | C8 | 122.5° | 121.3° |
| C5 | C2 | S12 | 121.5° | 119.5° |
| C2 | C5 | C4 | 122.0° | 121.0° |
| C2 | C5 | H5 | 119.0° | 119.5° |
| C2 | S12 | O13 | 110.0° | 105.8° |
| C2 | S12 | N16 | 110.9° | 107.4° |
| C2 | S12 | O21 | 110.6° | 105.7° |
| C4 | C3 | C6 | 118.4° | 119.4° |
| C4 | C3 | C9 | 123.3° | 121.3° |
| C3 | C4 | C5 | 120.1° | 119.6° |
| C3 | C4 | H4 | 119.9° | 120.2° |
| C6 | C3 | C9 | 118.2° | 119.4° |
| C3 | C6 | C8 | 118.7° | 119.4° |
| C3 | C9 | C11 | 121.0° | 119.7° |
| C3 | C9 | H9 | 119.5° | 120.2° |
| C5 | C4 | H4 | 119.9° | 120.2° |
| C4 | C5 | H5 | 119.0° | 119.5° |
| C6 | C8 | C10 | 120.2° | 119.7° |
| C6 | C8 | H18 | 119.9° | 120.1° |
| CL7 | C11 | C9 | 120.3° | 119.6° |
| CL7 | C11 | C10 | 119.8° | 119.5° |
| C10 | C8 | H18 | 119.9° | 120.2° |
| C8 | C10 | C11 | 121.9° | 120.9° |
| C8 | C10 | H10 | 119.0° | 119.5° |
| C11 | C9 | H9 | 119.5° | 120.1° |
| C9 | C11 | C10 | 119.9° | 120.9° |
| C11 | C10 | H10 | 119.1° | 119.5° |
| O13 | S12 | N16 | 108.2° | 105.8° |
| O13 | S12 | O21 | 108.6° | 125.4° |
| N16 | S12 | O21 | 108.4° | 105.7° |
| S12 | N16 | C15 | 117.2° | 121.4° |
| S12 | N16 | C19 | 115.7° | 121.3° |
| C15 | C14 | N20 | 115.6° | 110.8° |
| C15 | C14 | H141 | 106.1° | 109.2° |
| C15 | C14 | H142 | 107.5° | 109.2° |
| C14 | C15 | N16 | 114.3° | 108.2° |
| C14 | C15 | H151 | 106.8° | 109.7° |
| C14 | C15 | H152 | 107.9° | 109.7° |
| N20 | C14 | H141 | 106.1° | 109.2° |
| N20 | C14 | H142 | 107.5° | 109.3° |
| C14 | N20 | C17 | 121.5° | 124.6° |
| C14 | N20 | C22 | 117.4° | 117.7° |
| H141 | C14 | H142 | 114.4° | 109.2° |
| N16 | C15 | H151 | 106.8° | 109.7° |
| N16 | C15 | H152 | 107.9° | 109.7° |
| C15 | N16 | C19 | 114.8° | 117.3° |
| H151 | C15 | H152 | 113.3° | 109.7° |
| N16 | C19 | C17 | 119.3° | 108.9° |
| N16 | C19 | H191 | 104.0° | 109.6° |
| N16 | C19 | H192 | 106.3° | 109.6° |
| O18 | C17 | C19 | 117.6° | 118.5° |
| O18 | C17 | N20 | 123.9° | 118.5° |
| C19 | C17 | N20 | 118.5° | 123.0° |
| C17 | C19 | H191 | 104.0° | 109.7° |
| C17 | C19 | H192 | 106.3° | 109.4° |
| C17 | N20 | C22 | 121.1° | 117.7° |
| H191 | C19 | H192 | 117.5° | 109.7° |
| N20 | C22 | C30 | 121.8° | 109.5° |
| N20 | C22 | H221 | 102.6° | 109.5° |
| N20 | C22 | H222 | 105.6° | 109.5° |
| C30 | C22 | H221 | 102.7° | 109.5° |
| C30 | C22 | H222 | 105.5° | 109.5° |
| C22 | C30 | C31 | 106.8° | 109.6° |
| C22 | C30 | C33 | 108.6° | 109.6° |
| C22 | C30 | C36 | 112.4° | 109.7° |
| H221 | C22 | H222 | 119.8° | 109.4° |
| C26 | C23 | N34 | 122.5° | 120.9° |
| C26 | C23 | H23 | 118.8° | 119.5° |
| C23 | C26 | C25 | 119.7° | 119.0° |
| C23 | C26 | H26 | 120.2° | 120.5° |
| N34 | C23 | H23 | 118.7° | 119.5° |
| C23 | N34 | C35 | 119.7° | 121.8° |
| C25 | N24 | C27 | 121.4° | 106.6° |
| C25 | N24 | C29 | 120.1° | 106.7° |
| N24 | C25 | C26 | 121.9° | 120.8° |
| N24 | C25 | C28 | 122.1° | 120.9° |
| C27 | N24 | C29 | 118.5° | 107.4° |
| N24 | C27 | C33 | 117.7° | 109.8° |
| N24 | C27 | H271 | 104.9° | 109.5° |
| N24 | C27 | H272 | 106.8° | 109.4° |
| N24 | C29 | C36 | 117.6° | 109.7° |
| N24 | C29 | H291 | 105.0° | 109.4° |
| N24 | C29 | H292 | 106.8° | 109.4° |
| C26 | C25 | C28 | 116.0° | 118.3° |
| C25 | C26 | H26 | 120.1° | 120.5° |
| C25 | C28 | C35 | 119.4° | 119.1° |
| C25 | C28 | H28 | 120.3° | 120.5° |
| C33 | C27 | H271 | 104.9° | 109.4° |
| C33 | C27 | H272 | 106.8° | 109.4° |
| C27 | C33 | C30 | 115.7° | 109.2° |
| C27 | C33 | H331 | 106.0° | 109.5° |
| C27 | C33 | H332 | 107.4° | 109.6° |
| H271 | C27 | H272 | 116.2° | 109.3° |
| C35 | C28 | H28 | 120.3° | 120.4° |
| C28 | C35 | N34 | 122.7° | 120.9° |
| C28 | C35 | H35 | 118.6° | 119.6° |
| C36 | C29 | H291 | 104.9° | 109.4° |
| C36 | C29 | H292 | 106.8° | 109.4° |
| C29 | C36 | C30 | 115.7° | 109.2° |
| C29 | C36 | H361 | 106.0° | 109.5° |
| C29 | C36 | H362 | 107.5° | 109.5° |
| H291 | C29 | H292 | 116.1° | 109.4° |
| C31 | C30 | C33 | 110.6° | 109.5° |
| C31 | C30 | C36 | 113.7° | 109.6° |
| C30 | C31 | O32 | 116.3° | 109.4° |
| C30 | C31 | H311 | 105.7° | 109.5° |
| C30 | C31 | H312 | 107.3° | 109.4° |
| C33 | C30 | C36 | 104.6° | 108.9° |
| C30 | C33 | H331 | 106.0° | 109.5° |
| C30 | C33 | H332 | 107.5° | 109.5° |
| C30 | C36 | H361 | 106.0° | 109.5° |
| C30 | C36 | H362 | 107.5° | 109.5° |
| O32 | C31 | H311 | 105.7° | 109.5° |
| O32 | C31 | H312 | 107.3° | 109.5° |
| C31 | O32 | H32 | 109.5° | 106.8° |
| H311 | C31 | H312 | 115.0° | 109.5° |
| H331 | C33 | H332 | 114.5° | 109.6° |
| N34 | C35 | H35 | 118.6° | 119.5° |
| H361 | C36 | H362 | 114.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.7° |
| C1 | C2 | C5 | S12 | 180.0° | 179.8° |
| C2 | C1 | C6 | C3 | 0.0° | 0.5° |
| C1 | C2 | C5 | C4 | 0.1° | 0.3° |
| C1 | C2 | C5 | H5 | 179.9° | 179.8° |
| C2 | C1 | C6 | C8 | 180.0° | 179.8° |
| C1 | C2 | S12 | O13 | 22.9° | 157.1° |
| C1 | C2 | S12 | N16 | 96.8° | 90.2° |
| C1 | C2 | S12 | O21 | 143.0° | 22.3° |
| C6 | C1 | C2 | C5 | 0.0° | 0.6° |
| C6 | C1 | C2 | S12 | 180.0° | 179.7° |
| C1 | C6 | C3 | C4 | 0.0° | 0.3° |
| C1 | C6 | C3 | C8 | 180.0° | 179.7° |
| C1 | C6 | C3 | C9 | 179.9° | 179.7° |
| C1 | C6 | C8 | C10 | 179.8° | 179.7° |
| C1 | C6 | C8 | H18 | 0.2° | 0.3° |
| H1 | C1 | C2 | C5 | 180.0° | 179.7° |
| H1 | C1 | C2 | S12 | 0.0° | 0.0° |
| H1 | C1 | C6 | C3 | 180.0° | 179.7° |
| H1 | C1 | C6 | C8 | 0.0° | 0.1° |
| C2 | C5 | C4 | C3 | 0.0° | 0.0° |
| C2 | C5 | C4 | H5 | 180.0° | 179.9° |
| C2 | C5 | C4 | H4 | 180.0° | 179.9° |
| C5 | C2 | S12 | O13 | 157.1° | 22.6° |
| C5 | C2 | S12 | N16 | 83.2° | 90.0° |
| C5 | C2 | S12 | O21 | 37.1° | 157.4° |
| S12 | C2 | C5 | C4 | 180.0° | 180.0° |
| S12 | C2 | C5 | H5 | 0.0° | 0.0° |
| C2 | S12 | O13 | N16 | 121.3° | 113.8° |
| C2 | S12 | O13 | O21 | 121.3° | 123.1° |
| C2 | S12 | N16 | O21 | 121.6° | 112.5° |
| C2 | S12 | N16 | C15 | 68.4° | 90.0° |
| C2 | S12 | N16 | C19 | 71.9° | 90.0° |
| C4 | C3 | C6 | C9 | 179.9° | 180.0° |
| C3 | C4 | C5 | H4 | 180.0° | 180.0° |
| C3 | C4 | C5 | H5 | 180.0° | 179.9° |
| C4 | C3 | C6 | C8 | 180.0° | 180.0° |
| C4 | C3 | C9 | C11 | 179.9° | 180.0° |
| C4 | C3 | C9 | H9 | 0.1° | 0.0° |
| C6 | C3 | C4 | C5 | 0.0° | 0.0° |
| C6 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C6 | C8 | C10 | 0.2° | 0.0° |
| C3 | C6 | C8 | H18 | 179.8° | 180.0° |
| C6 | C3 | C9 | C11 | 0.0° | 0.0° |
| C6 | C3 | C9 | H9 | 179.9° | 180.0° |
| C9 | C3 | C4 | C5 | 179.9° | 180.0° |
| C9 | C3 | C4 | H4 | 0.1° | 0.1° |
| C9 | C3 | C6 | C8 | 0.2° | 0.0° |
| C3 | C9 | C11 | CL7 | 180.0° | 179.9° |
| C3 | C9 | C11 | H9 | 180.0° | 180.0° |
| C3 | C9 | C11 | C10 | 0.0° | 0.0° |
| H4 | C4 | C5 | H5 | 0.0° | 0.0° |
| C6 | C8 | C10 | H18 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 0.1° | 0.1° |
| C6 | C8 | C10 | H10 | 179.9° | 180.0° |
| CL7 | C11 | C10 | C8 | 179.9° | 180.0° |
| CL7 | C11 | C9 | C10 | 179.9° | 179.9° |
| CL7 | C11 | C9 | H9 | 0.1° | 0.1° |
| CL7 | C11 | C10 | H10 | 0.1° | 0.1° |
| C8 | C10 | C11 | C9 | 0.0° | 0.1° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| H18 | C8 | C10 | C11 | 179.9° | 179.9° |
| H18 | C8 | C10 | H10 | 0.1° | 0.0° |
| C9 | C11 | C10 | H10 | 180.0° | 180.0° |
| H9 | C9 | C11 | C10 | 180.0° | 180.0° |
| O13 | S12 | N16 | O21 | 117.6° | 134.8° |
| O13 | S12 | N16 | C15 | 52.4° | 157.4° |
| O13 | S12 | N16 | C19 | 167.4° | 22.6° |
| S12 | N16 | C15 | C14 | 172.7° | 118.5° |
| S12 | N16 | C15 | C19 | 140.6° | 180.0° |
| S12 | N16 | C15 | H151 | 69.4° | 1.2° |
| S12 | N16 | C15 | H152 | 52.7° | 121.8° |
| S12 | N16 | C19 | C17 | 172.1° | 137.5° |
| S12 | N16 | C19 | H191 | 56.8° | 17.5° |
| S12 | N16 | C19 | H192 | 67.9° | 102.9° |
| O21 | S12 | N16 | C15 | 170.0° | 22.6° |
| O21 | S12 | N16 | C19 | 49.7° | 157.4° |
| C15 | C14 | N20 | H141 | 117.2° | 120.3° |
| C15 | C14 | N20 | H142 | 120.0° | 120.3° |
| C15 | C14 | H141 | H142 | 118.3° | 119.3° |
| C14 | C15 | N16 | H151 | 117.9° | 119.7° |
| C14 | C15 | N16 | H152 | 120.0° | 119.7° |
| C14 | C15 | H151 | H152 | 118.7° | 120.6° |
| C14 | C15 | N16 | C19 | 46.7° | 61.5° |
| C15 | C14 | N20 | C17 | 16.8° | 21.6° |
| C15 | C14 | N20 | C22 | 163.6° | 158.1° |
| N20 | C14 | H141 | H142 | 118.3° | 119.4° |
| N20 | C14 | C15 | N16 | 39.9° | 46.7° |
| N20 | C14 | C15 | H151 | 78.0° | 166.4° |
| N20 | C14 | C15 | H152 | 159.9° | 73.0° |
| C14 | N20 | C17 | O18 | 179.9° | 175.8° |
| C14 | N20 | C17 | C19 | 0.5° | 3.7° |
| C14 | N20 | C17 | C22 | 179.6° | 179.7° |
| C14 | N20 | C22 | C30 | 98.2° | 91.1° |
| C14 | N20 | C22 | H221 | 148.0° | 28.9° |
| C14 | N20 | C22 | H222 | 21.8° | 148.9° |
| H141 | C14 | C15 | N16 | 77.3° | 73.6° |
| H141 | C14 | C15 | H151 | 164.8° | 46.1° |
| H141 | C14 | C15 | H152 | 42.7° | 166.7° |
| H141 | C14 | N20 | C17 | 100.4° | 98.7° |
| H141 | C14 | N20 | C22 | 79.2° | 81.6° |
| H142 | C14 | C15 | N16 | 159.9° | 167.1° |
| H142 | C14 | C15 | H151 | 42.0° | 73.2° |
| H142 | C14 | C15 | H152 | 80.1° | 47.4° |
| H142 | C14 | N20 | C17 | 136.8° | 141.9° |
| H142 | C14 | N20 | C22 | 43.6° | 37.8° |
| N16 | C15 | H151 | H152 | 118.7° | 120.6° |
| C15 | N16 | C19 | C17 | 30.9° | 42.5° |
| C15 | N16 | C19 | H191 | 84.4° | 162.5° |
| C15 | N16 | C19 | H192 | 150.9° | 77.1° |
| H151 | C15 | N16 | C19 | 71.2° | 178.8° |
| H152 | C15 | N16 | C19 | 166.7° | 58.2° |
| N16 | C19 | C17 | O18 | 173.2° | 167.3° |
| N16 | C19 | C17 | H191 | 115.3° | 119.9° |
| N16 | C19 | C17 | H192 | 120.0° | 119.7° |
| N16 | C19 | C17 | N20 | 7.4° | 12.2° |
| N16 | C19 | H191 | H192 | 117.2° | 120.3° |
| O18 | C17 | C19 | N20 | 179.4° | 179.5° |
| O18 | C17 | C19 | H191 | 71.6° | 47.4° |
| O18 | C17 | C19 | H192 | 53.2° | 73.0° |
| O18 | C17 | N20 | C22 | 0.4° | 4.5° |
| C17 | C19 | H191 | H192 | 117.2° | 120.2° |
| C19 | C17 | N20 | C22 | 179.8° | 176.0° |
| N20 | C17 | C19 | H191 | 107.9° | 132.1° |
| N20 | C17 | C19 | H192 | 127.4° | 107.5° |
| C17 | N20 | C22 | C30 | 82.2° | 89.2° |
| C17 | N20 | C22 | H221 | 31.6° | 150.8° |
| C17 | N20 | C22 | H222 | 157.8° | 30.9° |
| N20 | C22 | C30 | H221 | 113.8° | 120.0° |
| N20 | C22 | C30 | H222 | 120.0° | 120.0° |
| N20 | C22 | H221 | H222 | 116.4° | 120.0° |
| N20 | C22 | C30 | C31 | 104.4° | 174.5° |
| N20 | C22 | C30 | C33 | 136.3° | 65.3° |
| N20 | C22 | C30 | C36 | 21.1° | 54.2° |
| C30 | C22 | H221 | H222 | 116.4° | 120.0° |
| C22 | C30 | C33 | C27 | 177.5° | 175.5° |
| C22 | C30 | C36 | C29 | 177.1° | 175.5° |
| C22 | C30 | C31 | C33 | 118.0° | 120.3° |
| C22 | C30 | C31 | C36 | 124.6° | 120.4° |
| C22 | C30 | C33 | C36 | 120.3° | 120.0° |
| C22 | C30 | C31 | O32 | 59.8° | 56.4° |
| C22 | C30 | C31 | H311 | 176.7° | 63.6° |
| C22 | C30 | C31 | H312 | 60.2° | 176.4° |
| C22 | C30 | C33 | H331 | 65.3° | 55.6° |
| C22 | C30 | C33 | H332 | 57.6° | 64.5° |
| C22 | C30 | C36 | H361 | 59.9° | 64.6° |
| C22 | C30 | C36 | H362 | 62.9° | 55.5° |
| H221 | C22 | C30 | C31 | 141.9° | 54.5° |
| H221 | C22 | C30 | C33 | 22.6° | 174.7° |
| H221 | C22 | C30 | C36 | 92.7° | 65.8° |
| H222 | C22 | C30 | C31 | 15.6° | 65.5° |
| H222 | C22 | C30 | C33 | 103.7° | 54.7° |
| H222 | C22 | C30 | C36 | 141.1° | 174.2° |
| C26 | C23 | N34 | H23 | 180.0° | 180.0° |
| C23 | C26 | C25 | N24 | 180.0° | 180.0° |
| C23 | C26 | C25 | H26 | 180.0° | 179.9° |
| C23 | C26 | C25 | C28 | 0.2° | 0.3° |
| C26 | C23 | N34 | C35 | 0.1° | 0.0° |
| N34 | C23 | C26 | C25 | 0.1° | 0.0° |
| N34 | C23 | C26 | H26 | 179.9° | 180.0° |
| C23 | N34 | C35 | C28 | 0.2° | 0.3° |
| C23 | N34 | C35 | H35 | 179.8° | 179.9° |
| H23 | C23 | C26 | C25 | 179.9° | 180.0° |
| H23 | C23 | C26 | H26 | 0.1° | 0.0° |
| H23 | C23 | N34 | C35 | 179.9° | 180.0° |
| C25 | N24 | C27 | C29 | 179.7° | 114.1° |
| N24 | C25 | C26 | C28 | 179.8° | 179.7° |
| N24 | C25 | C26 | H26 | 0.0° | 0.0° |
| C25 | N24 | C27 | C33 | 179.1° | 179.7° |
| C25 | N24 | C27 | H271 | 63.0° | 60.2° |
| C25 | N24 | C27 | H272 | 60.9° | 59.7° |
| N24 | C25 | C28 | C35 | 180.0° | 179.7° |
| N24 | C25 | C28 | H28 | 0.0° | 0.2° |
| C25 | N24 | C29 | C36 | 179.1° | 179.7° |
| C25 | N24 | C29 | H291 | 62.9° | 60.2° |
| C25 | N24 | C29 | H292 | 60.9° | 59.6° |
| C27 | N24 | C25 | C26 | 180.0° | 179.9° |
| C27 | N24 | C25 | C28 | 0.2° | 0.2° |
| N24 | C27 | C33 | H271 | 116.1° | 120.2° |
| N24 | C27 | C33 | H272 | 120.0° | 120.1° |
| N24 | C27 | H271 | H272 | 117.7° | 119.9° |
| C27 | N24 | C29 | C36 | 1.3° | 65.7° |
| C27 | N24 | C29 | H291 | 117.4° | 174.3° |
| C27 | N24 | C29 | H292 | 118.7° | 54.4° |
| N24 | C27 | C33 | C30 | 29.8° | 61.4° |
| N24 | C27 | C33 | H331 | 147.0° | 58.5° |
| N24 | C27 | C33 | H332 | 90.2° | 178.7° |
| C29 | N24 | C25 | C26 | 0.3° | 65.5° |
| C29 | N24 | C25 | C28 | 179.8° | 114.7° |
| C29 | N24 | C27 | C33 | 0.5° | 65.7° |
| C29 | N24 | C27 | H271 | 116.7° | 174.2° |
| C29 | N24 | C27 | H272 | 119.5° | 54.4° |
| N24 | C29 | C36 | H291 | 116.2° | 120.1° |
| N24 | C29 | C36 | H292 | 120.0° | 120.1° |
| N24 | C29 | H291 | H292 | 117.7° | 119.9° |
| N24 | C29 | C36 | C30 | 33.4° | 61.4° |
| N24 | C29 | C36 | H361 | 83.7° | 178.7° |
| N24 | C29 | C36 | H362 | 153.4° | 58.6° |
| C26 | C25 | C28 | C35 | 0.2° | 0.6° |
| C26 | C25 | C28 | H28 | 179.8° | 179.9° |
| C28 | C25 | C26 | H26 | 179.9° | 179.7° |
| C25 | C28 | C35 | H28 | 180.0° | 179.5° |
| C25 | C28 | C35 | N34 | 0.2° | 0.6° |
| C25 | C28 | C35 | H35 | 179.8° | 179.6° |
| C33 | C27 | H271 | H272 | 117.7° | 119.8° |
| C27 | C33 | C30 | C31 | 65.6° | 64.2° |
| C27 | C33 | C30 | H331 | 117.2° | 119.9° |
| C27 | C33 | C30 | H332 | 120.0° | 119.9° |
| C27 | C33 | C30 | C36 | 57.3° | 55.5° |
| C27 | C33 | H331 | H332 | 118.2° | 120.2° |
| H271 | C27 | C33 | C30 | 86.3° | 178.5° |
| H271 | C27 | C33 | H331 | 30.8° | 61.7° |
| H271 | C27 | C33 | H332 | 153.7° | 58.6° |
| H272 | C27 | C33 | C30 | 149.8° | 58.8° |
| H272 | C27 | C33 | H331 | 93.0° | 178.6° |
| H272 | C27 | C33 | H332 | 29.8° | 61.1° |
| C28 | C35 | N34 | H35 | 180.0° | 179.8° |
| H28 | C28 | C35 | N34 | 179.8° | 179.9° |
| H28 | C28 | C35 | H35 | 0.2° | 0.1° |
| C36 | C29 | H291 | H292 | 117.7° | 119.9° |
| C29 | C36 | C30 | C31 | 61.4° | 64.2° |
| C29 | C36 | C30 | C33 | 59.5° | 55.6° |
| C29 | C36 | C30 | H361 | 117.2° | 119.9° |
| C29 | C36 | C30 | H362 | 120.0° | 120.0° |
| C29 | C36 | H361 | H362 | 118.3° | 120.1° |
| H291 | C29 | C36 | C30 | 149.6° | 178.5° |
| H291 | C29 | C36 | H361 | 32.4° | 58.6° |
| H291 | C29 | C36 | H362 | 90.4° | 61.5° |
| H292 | C29 | C36 | C30 | 86.6° | 58.6° |
| H292 | C29 | C36 | H361 | 156.3° | 61.3° |
| H292 | C29 | C36 | H362 | 33.4° | 178.6° |
| C31 | C30 | C33 | C36 | 122.9° | 119.8° |
| C30 | C31 | O32 | H311 | 116.8° | 120.0° |
| C30 | C31 | O32 | H312 | 120.0° | 120.0° |
| C30 | C31 | H311 | H312 | 118.1° | 120.0° |
| C30 | C31 | O32 | H32 | 74.5° | 180.0° |
| C31 | C30 | C33 | H331 | 51.6° | 175.8° |
| C31 | C30 | C33 | H332 | 174.4° | 55.7° |
| C31 | C30 | C36 | H361 | 178.6° | 55.7° |
| C31 | C30 | C36 | H362 | 58.6° | 175.8° |
| C33 | C30 | C31 | O32 | 177.8° | 176.6° |
| C33 | C30 | C31 | H311 | 65.4° | 56.7° |
| C33 | C30 | C31 | H312 | 57.8° | 63.4° |
| C30 | C33 | H331 | H332 | 118.3° | 120.1° |
| C33 | C30 | C36 | H361 | 57.7° | 175.5° |
| C33 | C30 | C36 | H362 | 179.5° | 64.4° |
| C36 | C30 | C31 | O32 | 64.8° | 64.0° |
| C36 | C30 | C31 | H311 | 52.0° | 176.0° |
| C36 | C30 | C31 | H312 | 175.2° | 56.0° |
| C36 | C30 | C33 | H331 | 174.4° | 64.4° |
| C36 | C30 | C33 | H332 | 62.7° | 175.5° |
| C30 | C36 | H361 | H362 | 118.3° | 120.1° |
| O32 | C31 | H311 | H312 | 118.1° | 120.1° |
| H311 | C31 | O32 | H32 | 42.4° | 60.0° |
| H312 | C31 | O32 | H32 | 165.5° | 60.1° |
