XME
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | sing | 1.36Å | 1.46Å | Aromatic |
| C1 | C6 | doub | 1.41Å | 1.47Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | doub | 1.39Å | 1.50Å | Aromatic |
| C2 | S12 | sing | 1.76Å | 1.74Å | |
| C3 | C4 | doub | 1.41Å | 1.48Å | Aromatic |
| C3 | C6 | sing | 1.42Å | 1.57Å | Aromatic |
| C3 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | C5 | sing | 1.36Å | 1.45Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | sing | 1.40Å | 1.48Å | Aromatic |
| CL7 | C11 | sing | 1.74Å | 1.75Å | |
| C8 | C10 | doub | 1.36Å | 1.44Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.36Å | 1.45Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.49Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| S12 | O13 | doub | 1.42Å | 1.56Å | |
| S12 | N17 | sing | 1.66Å | 1.74Å | |
| S12 | O21 | doub | 1.42Å | 1.53Å | |
| C14 | O15 | doub | 1.21Å | 1.25Å | |
| C14 | C16 | sing | 1.50Å | 1.57Å | |
| C14 | N20 | sing | 1.33Å | 1.48Å | |
| C16 | N17 | sing | 1.47Å | 1.49Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| N17 | C19 | sing | 1.47Å | 1.51Å | |
| C18 | C19 | sing | 1.53Å | 1.56Å | |
| C18 | N20 | sing | 1.46Å | 1.51Å | |
| C18 | H181 | sing | 1.09Å | 1.10Å | |
| C18 | H182 | sing | 1.09Å | 1.10Å | |
| 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 | 1.61Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C23 | C26 | doub | 1.38Å | 1.46Å | Aromatic |
| C23 | N35 | sing | 1.32Å | 1.40Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| N24 | C25 | sing | 1.39Å | 1.52Å | |
| N24 | C27 | sing | 1.47Å | 1.57Å | |
| N24 | C29 | sing | 1.47Å | 1.56Å | |
| C25 | C26 | sing | 1.39Å | 1.50Å | Aromatic |
| C25 | C28 | doub | 1.39Å | 1.51Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | C34 | sing | 1.53Å | 1.58Å | |
| C27 | H271 | sing | 1.09Å | 1.10Å | |
| C27 | H272 | sing | 1.09Å | 1.10Å | |
| C28 | C36 | sing | 1.38Å | 1.45Å | Aromatic |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| C29 | C37 | sing | 1.53Å | 1.58Å | |
| C29 | H291 | sing | 1.09Å | 1.10Å | |
| C29 | H292 | sing | 1.09Å | 1.10Å | |
| C30 | C31 | sing | 1.51Å | 1.57Å | |
| C30 | C34 | sing | 1.53Å | 1.59Å | |
| C30 | C37 | sing | 1.53Å | 1.62Å | |
| C31 | N32 | doub | 1.28Å | 1.27Å | |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| N32 | O33 | sing | 1.42Å | 1.30Å | |
| O33 | H33 | sing | 0.97Å | 0.95Å | |
| C34 | H341 | sing | 1.09Å | 1.10Å | |
| C34 | H342 | sing | 1.09Å | 1.10Å | |
| N35 | C36 | doub | 1.32Å | 1.41Å | Aromatic |
| C36 | H36 | sing | 1.08Å | 1.08Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.6° | 119.7° |
| C2 | C1 | H1 | 119.2° | 120.2° |
| C1 | C2 | C5 | 119.3° | 121.0° |
| C1 | C2 | S12 | 119.3° | 119.5° |
| C6 | C1 | H1 | 119.2° | 120.1° |
| C1 | C6 | C3 | 118.4° | 119.3° |
| C1 | C6 | C8 | 122.6° | 121.3° |
| C5 | C2 | S12 | 121.4° | 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 | N17 | 109.1° | 107.4° |
| C2 | S12 | O21 | 111.8° | 105.8° |
| C4 | C3 | C6 | 118.9° | 119.4° |
| C4 | C3 | C9 | 122.7° | 121.3° |
| C3 | C4 | C5 | 119.8° | 119.7° |
| C3 | C4 | H4 | 120.1° | 120.1° |
| C6 | C3 | C9 | 118.5° | 119.3° |
| C3 | C6 | C8 | 119.0° | 119.4° |
| C3 | C9 | C11 | 121.3° | 119.7° |
| C3 | C9 | H9 | 119.3° | 120.2° |
| C5 | C4 | H4 | 120.1° | 120.2° |
| C4 | C5 | H5 | 119.0° | 119.5° |
| C6 | C8 | C10 | 119.4° | 119.6° |
| C6 | C8 | H8 | 120.3° | 120.2° |
| CL7 | C11 | C9 | 119.4° | 119.6° |
| CL7 | C11 | C10 | 120.4° | 119.5° |
| C10 | C8 | H8 | 120.3° | 120.2° |
| C8 | C10 | C11 | 121.6° | 121.0° |
| C8 | C10 | H10 | 119.2° | 119.4° |
| C11 | C9 | H9 | 119.3° | 120.1° |
| C9 | C11 | C10 | 120.2° | 120.9° |
| C11 | C10 | H10 | 119.2° | 119.5° |
| O13 | S12 | N17 | 110.2° | 105.8° |
| O13 | S12 | O21 | 109.2° | 125.4° |
| N17 | S12 | O21 | 106.4° | 105.7° |
| S12 | N17 | C16 | 116.5° | 121.3° |
| S12 | N17 | C19 | 116.4° | 121.4° |
| O15 | C14 | C16 | 116.5° | 118.5° |
| O15 | C14 | N20 | 126.3° | 118.4° |
| C16 | C14 | N20 | 117.2° | 123.0° |
| C14 | C16 | N17 | 117.4° | 108.9° |
| C14 | C16 | H161 | 105.1° | 109.7° |
| C14 | C16 | H162 | 106.9° | 109.3° |
| C14 | N20 | C18 | 122.4° | 124.6° |
| C14 | N20 | C22 | 122.4° | 117.7° |
| N17 | C16 | H161 | 105.1° | 109.6° |
| N17 | C16 | H162 | 106.9° | 109.6° |
| C16 | N17 | C19 | 114.1° | 117.3° |
| H161 | C16 | H162 | 115.9° | 109.7° |
| N17 | C19 | C18 | 113.1° | 108.2° |
| N17 | C19 | H191 | 107.5° | 109.7° |
| N17 | C19 | H192 | 108.3° | 109.7° |
| C19 | C18 | N20 | 115.2° | 110.7° |
| C19 | C18 | H181 | 106.3° | 109.2° |
| C19 | C18 | H182 | 107.6° | 109.2° |
| C18 | C19 | H191 | 107.5° | 109.7° |
| C18 | C19 | H192 | 108.3° | 109.7° |
| N20 | C18 | H181 | 106.3° | 109.2° |
| N20 | C18 | H182 | 107.6° | 109.2° |
| C18 | N20 | C22 | 115.2° | 117.7° |
| H181 | C18 | H182 | 114.0° | 109.2° |
| H191 | C19 | H192 | 112.3° | 109.8° |
| N20 | C22 | C30 | 120.9° | 109.5° |
| N20 | C22 | H221 | 103.2° | 109.5° |
| N20 | C22 | H222 | 105.8° | 109.5° |
| C30 | C22 | H221 | 103.2° | 109.4° |
| C30 | C22 | H222 | 105.9° | 109.4° |
| C22 | C30 | C31 | 107.4° | 109.6° |
| C22 | C30 | C34 | 106.5° | 109.5° |
| C22 | C30 | C37 | 111.0° | 109.6° |
| H221 | C22 | H222 | 118.9° | 109.5° |
| C26 | C23 | N35 | 122.2° | 120.9° |
| C26 | C23 | H23 | 118.9° | 119.6° |
| C23 | C26 | C25 | 119.7° | 119.0° |
| C23 | C26 | H26 | 120.2° | 120.5° |
| N35 | C23 | H23 | 118.9° | 119.6° |
| C23 | N35 | C36 | 120.2° | 121.9° |
| C25 | N24 | C27 | 120.8° | 106.7° |
| C25 | N24 | C29 | 120.9° | 106.7° |
| N24 | C25 | C26 | 121.7° | 120.9° |
| N24 | C25 | C28 | 122.0° | 120.9° |
| C27 | N24 | C29 | 118.3° | 107.3° |
| N24 | C27 | C34 | 119.4° | 109.8° |
| N24 | C27 | H271 | 104.0° | 109.4° |
| N24 | C27 | H272 | 106.3° | 109.4° |
| N24 | C29 | C37 | 119.3° | 109.8° |
| N24 | C29 | H291 | 104.0° | 109.5° |
| N24 | C29 | H292 | 106.3° | 109.4° |
| C26 | C25 | C28 | 116.3° | 118.3° |
| C25 | C26 | H26 | 120.1° | 120.5° |
| C25 | C28 | C36 | 119.2° | 119.1° |
| C25 | C28 | H28 | 120.4° | 120.5° |
| C34 | C27 | H271 | 103.9° | 109.4° |
| C34 | C27 | H272 | 106.3° | 109.5° |
| C27 | C34 | C30 | 117.5° | 109.2° |
| C27 | C34 | H341 | 105.0° | 109.5° |
| C27 | C34 | H342 | 106.9° | 109.5° |
| H271 | C27 | H272 | 117.6° | 109.3° |
| C36 | C28 | H28 | 120.4° | 120.4° |
| C28 | C36 | N35 | 122.4° | 120.8° |
| C28 | C36 | H36 | 118.8° | 119.6° |
| C37 | C29 | H291 | 104.1° | 109.4° |
| C37 | C29 | H292 | 106.3° | 109.5° |
| C29 | C37 | C30 | 117.8° | 109.2° |
| C29 | C37 | H371 | 104.8° | 109.5° |
| C29 | C37 | H372 | 106.8° | 109.6° |
| H291 | C29 | H292 | 117.5° | 109.3° |
| C31 | C30 | C34 | 112.0° | 109.6° |
| C31 | C30 | C37 | 111.5° | 109.6° |
| C30 | C31 | N32 | 124.1° | 120.0° |
| C30 | C31 | H31 | 117.9° | 119.9° |
| C34 | C30 | C37 | 108.4° | 108.9° |
| C30 | C34 | H341 | 105.0° | 109.5° |
| C30 | C34 | H342 | 106.9° | 109.5° |
| C30 | C37 | H371 | 104.8° | 109.5° |
| C30 | C37 | H372 | 106.8° | 109.6° |
| N32 | C31 | H31 | 118.0° | 120.0° |
| C31 | N32 | O33 | 122.4° | 120.0° |
| N32 | O33 | H33 | 109.5° | 106.8° |
| H341 | C34 | H342 | 116.0° | 109.5° |
| N35 | C36 | H36 | 118.8° | 119.6° |
| H371 | C37 | H372 | 116.3° | 109.6° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C6 | H1 | 180.0° | 179.8° |
| C1 | C2 | C5 | S12 | 178.9° | 179.8° |
| C2 | C1 | C6 | C3 | 0.2° | 0.4° |
| C1 | C2 | C5 | C4 | 0.2° | 0.2° |
| C1 | C2 | C5 | H5 | 179.8° | 179.8° |
| C2 | C1 | C6 | C8 | 179.9° | 179.8° |
| C1 | C2 | S12 | O13 | 26.8° | 157.2° |
| C1 | C2 | S12 | N17 | 94.3° | 90.2° |
| C1 | C2 | S12 | O21 | 148.3° | 22.4° |
| C6 | C1 | C2 | C5 | 0.2° | 0.5° |
| C6 | C1 | C2 | S12 | 179.1° | 179.8° |
| C1 | C6 | C3 | C4 | 0.1° | 0.2° |
| C1 | C6 | C3 | C8 | 179.9° | 179.8° |
| C1 | C6 | C3 | C9 | 179.8° | 179.7° |
| C1 | C6 | C8 | C10 | 179.9° | 179.7° |
| C1 | C6 | C8 | H8 | 0.1° | 0.2° |
| H1 | C1 | C2 | C5 | 179.8° | 179.8° |
| H1 | C1 | C2 | S12 | 0.9° | 0.0° |
| H1 | C1 | C6 | C3 | 179.9° | 179.8° |
| H1 | C1 | C6 | C8 | 0.0° | 0.0° |
| C2 | C5 | C4 | C3 | 0.1° | 0.1° |
| C2 | C5 | C4 | H5 | 180.0° | 180.0° |
| C2 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C2 | S12 | O13 | 154.3° | 22.6° |
| C5 | C2 | S12 | N17 | 84.6° | 90.0° |
| C5 | C2 | S12 | O21 | 32.8° | 157.4° |
| S12 | C2 | C5 | C4 | 179.1° | 180.0° |
| S12 | C2 | C5 | H5 | 0.9° | 0.0° |
| C2 | S12 | O13 | N17 | 120.4° | 113.7° |
| C2 | S12 | O13 | O21 | 123.0° | 123.1° |
| C2 | S12 | N17 | O21 | 120.7° | 112.6° |
| C2 | S12 | N17 | C16 | 74.5° | 90.0° |
| C2 | S12 | N17 | C19 | 64.7° | 90.0° |
| C4 | C3 | C6 | C9 | 179.9° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C6 | C8 | 180.0° | 180.0° |
| C4 | C3 | C9 | C11 | 180.0° | 180.0° |
| C4 | C3 | C9 | H9 | 0.0° | 0.1° |
| C6 | C3 | C4 | C5 | 0.0° | 0.1° |
| C6 | C3 | C4 | H4 | 180.0° | 179.9° |
| C3 | C6 | C8 | C10 | 0.0° | 0.1° |
| C3 | C6 | C8 | H8 | 180.0° | 180.0° |
| C6 | C3 | C9 | C11 | 0.1° | 0.1° |
| C6 | C3 | C9 | H9 | 179.9° | 180.0° |
| C9 | C3 | C4 | C5 | 179.8° | 180.0° |
| C9 | C3 | C4 | H4 | 0.2° | 0.2° |
| C9 | C3 | C6 | C8 | 0.1° | 0.1° |
| C3 | C9 | C11 | CL7 | 179.9° | 180.0° |
| C3 | C9 | C11 | H9 | 180.0° | 180.0° |
| C3 | C9 | C11 | C10 | 0.0° | 0.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.1° |
| C6 | C8 | C10 | H8 | 180.0° | 180.0° |
| C6 | C8 | C10 | C11 | 0.1° | 0.0° |
| C6 | C8 | C10 | H10 | 179.9° | 179.9° |
| CL7 | C11 | C10 | C8 | 179.8° | 179.9° |
| CL7 | C11 | C9 | C10 | 179.9° | 179.9° |
| CL7 | C11 | C9 | H9 | 0.0° | 0.1° |
| CL7 | C11 | C10 | H10 | 0.2° | 0.0° |
| C8 | C10 | C11 | C9 | 0.1° | 0.0° |
| C8 | C10 | C11 | H10 | 180.0° | 180.0° |
| H8 | C8 | C10 | C11 | 180.0° | 180.0° |
| H8 | C8 | C10 | H10 | 0.1° | 0.0° |
| C9 | C11 | C10 | H10 | 179.9° | 180.0° |
| H9 | C9 | C11 | C10 | 180.0° | 180.0° |
| O13 | S12 | N17 | O21 | 118.3° | 134.8° |
| O13 | S12 | N17 | C16 | 46.4° | 22.6° |
| O13 | S12 | N17 | C19 | 174.4° | 157.4° |
| S12 | N17 | C16 | C14 | 179.3° | 137.5° |
| S12 | N17 | C16 | C19 | 140.1° | 180.0° |
| S12 | N17 | C16 | H161 | 64.4° | 17.5° |
| S12 | N17 | C16 | H162 | 59.3° | 102.9° |
| S12 | N17 | C19 | C18 | 166.2° | 118.5° |
| S12 | N17 | C19 | H191 | 75.3° | 1.1° |
| S12 | N17 | C19 | H192 | 46.2° | 121.8° |
| O21 | S12 | N17 | C16 | 164.7° | 157.4° |
| O21 | S12 | N17 | C19 | 56.1° | 22.6° |
| O15 | C14 | C16 | N20 | 179.6° | 179.6° |
| O15 | C14 | C16 | N17 | 166.7° | 167.3° |
| O15 | C14 | C16 | H161 | 77.0° | 47.4° |
| O15 | C14 | C16 | H162 | 46.7° | 72.9° |
| O15 | C14 | N20 | C18 | 179.9° | 175.8° |
| O15 | C14 | N20 | C22 | 0.1° | 4.5° |
| C14 | C16 | N17 | H161 | 116.3° | 120.0° |
| C14 | C16 | N17 | H162 | 120.0° | 119.6° |
| C14 | C16 | H161 | H162 | 117.8° | 120.1° |
| C14 | C16 | N17 | C19 | 40.6° | 42.5° |
| C16 | C14 | N20 | C18 | 0.5° | 3.7° |
| C16 | C14 | N20 | C22 | 179.5° | 175.9° |
| N20 | C14 | C16 | N17 | 13.7° | 12.2° |
| N20 | C14 | C16 | H161 | 102.6° | 132.2° |
| N20 | C14 | C16 | H162 | 133.7° | 107.5° |
| C14 | N20 | C18 | C19 | 13.8° | 21.6° |
| C14 | N20 | C18 | C22 | 180.0° | 179.7° |
| C14 | N20 | C18 | H181 | 131.2° | 98.7° |
| C14 | N20 | C18 | H182 | 106.2° | 141.9° |
| C14 | N20 | C22 | C30 | 85.6° | 88.4° |
| C14 | N20 | C22 | H221 | 160.0° | 151.6° |
| C14 | N20 | C22 | H222 | 34.4° | 31.5° |
| N17 | C16 | H161 | H162 | 117.8° | 120.4° |
| C16 | N17 | C19 | C18 | 53.6° | 61.5° |
| C16 | N17 | C19 | H191 | 64.8° | 178.8° |
| C16 | N17 | C19 | H192 | 173.6° | 58.1° |
| H161 | C16 | N17 | C19 | 75.7° | 162.5° |
| H162 | C16 | N17 | C19 | 160.6° | 77.0° |
| N17 | C19 | C18 | H191 | 118.4° | 119.7° |
| N17 | C19 | C18 | H192 | 120.0° | 119.7° |
| N17 | C19 | C18 | N20 | 39.8° | 46.7° |
| N17 | C19 | C18 | H181 | 157.3° | 73.6° |
| N17 | C19 | C18 | H182 | 80.2° | 167.0° |
| N17 | C19 | H191 | H192 | 119.0° | 120.7° |
| C19 | C18 | N20 | H181 | 117.4° | 120.3° |
| C19 | C18 | N20 | H182 | 120.0° | 120.3° |
| C19 | C18 | H181 | H182 | 118.4° | 119.4° |
| C18 | C19 | H191 | H192 | 119.0° | 120.6° |
| C19 | C18 | N20 | C22 | 166.2° | 158.1° |
| N20 | C18 | H181 | H182 | 118.4° | 119.3° |
| N20 | C18 | C19 | H191 | 78.6° | 166.4° |
| N20 | C18 | C19 | H192 | 159.8° | 73.0° |
| C18 | N20 | C22 | C30 | 94.4° | 91.9° |
| C18 | N20 | C22 | H221 | 20.0° | 28.1° |
| C18 | N20 | C22 | H222 | 145.6° | 148.1° |
| H181 | C18 | C19 | H191 | 38.8° | 46.1° |
| H181 | C18 | C19 | H192 | 82.7° | 166.7° |
| H181 | C18 | N20 | C22 | 48.8° | 81.6° |
| H182 | C18 | C19 | H191 | 161.4° | 73.3° |
| H182 | C18 | C19 | H192 | 39.8° | 47.3° |
| H182 | C18 | N20 | C22 | 73.8° | 37.7° |
| N20 | C22 | C30 | H221 | 114.4° | 120.0° |
| N20 | C22 | C30 | H222 | 120.0° | 120.0° |
| N20 | C22 | H221 | H222 | 116.7° | 120.1° |
| N20 | C22 | C30 | C31 | 107.7° | 174.5° |
| N20 | C22 | C30 | C34 | 132.2° | 54.3° |
| N20 | C22 | C30 | C37 | 14.4° | 65.1° |
| C30 | C22 | H221 | H222 | 116.7° | 120.0° |
| C22 | C30 | C34 | C27 | 167.0° | 175.5° |
| C22 | C30 | C37 | C29 | 163.4° | 175.5° |
| C22 | C30 | C31 | C34 | 116.6° | 120.2° |
| C22 | C30 | C31 | C37 | 121.8° | 120.3° |
| C22 | C30 | C34 | C37 | 119.5° | 119.9° |
| C22 | C30 | C31 | N32 | 81.2° | 2.5° |
| C22 | C30 | C31 | H31 | 98.8° | 177.5° |
| C22 | C30 | C34 | H341 | 76.7° | 55.6° |
| C22 | C30 | C34 | H342 | 47.0° | 64.6° |
| C22 | C30 | C37 | H371 | 47.4° | 64.7° |
| C22 | C30 | C37 | H372 | 76.5° | 55.5° |
| H221 | C22 | C30 | C31 | 138.0° | 65.5° |
| H221 | C22 | C30 | C34 | 17.8° | 174.3° |
| H221 | C22 | C30 | C37 | 100.0° | 54.9° |
| H222 | C22 | C30 | C31 | 12.3° | 54.5° |
| H222 | C22 | C30 | C34 | 107.8° | 65.7° |
| H222 | C22 | C30 | C37 | 134.4° | 174.9° |
| C26 | C23 | N35 | H23 | 180.0° | 180.0° |
| C23 | C26 | C25 | N24 | 180.0° | 180.0° |
| C23 | C26 | C25 | H26 | 180.0° | 180.0° |
| C23 | C26 | C25 | C28 | 0.0° | 0.3° |
| C26 | C23 | N35 | C36 | 0.0° | 0.0° |
| N35 | C23 | C26 | C25 | 0.0° | 0.0° |
| N35 | C23 | C26 | H26 | 180.0° | 180.0° |
| C23 | N35 | C36 | C28 | 0.0° | 0.4° |
| C23 | N35 | C36 | H36 | 179.9° | 180.0° |
| H23 | C23 | C26 | C25 | 180.0° | 179.9° |
| H23 | C23 | C26 | H26 | 0.0° | 0.0° |
| H23 | C23 | N35 | C36 | 180.0° | 180.0° |
| C25 | N24 | C27 | C29 | 180.0° | 114.1° |
| N24 | C25 | C26 | C28 | 180.0° | 179.7° |
| N24 | C25 | C26 | H26 | 0.0° | 0.0° |
| C25 | N24 | C27 | C34 | 175.5° | 179.7° |
| C25 | N24 | C27 | H271 | 60.3° | 60.2° |
| C25 | N24 | C27 | H272 | 64.5° | 59.6° |
| N24 | C25 | C28 | C36 | 179.9° | 179.7° |
| N24 | C25 | C28 | H28 | 0.0° | 0.3° |
| C25 | N24 | C29 | C37 | 174.7° | 179.8° |
| C25 | N24 | C29 | H291 | 70.0° | 60.2° |
| C25 | N24 | C29 | H292 | 54.7° | 59.6° |
| C27 | N24 | C25 | C26 | 179.9° | 180.0° |
| C27 | N24 | C25 | C28 | 0.1° | 0.3° |
| N24 | C27 | C34 | H271 | 115.2° | 120.1° |
| N24 | C27 | C34 | H272 | 120.0° | 120.1° |
| N24 | C27 | H271 | H272 | 117.2° | 119.7° |
| C27 | N24 | C29 | C37 | 5.3° | 65.7° |
| C27 | N24 | C29 | H291 | 110.1° | 174.3° |
| C27 | N24 | C29 | H292 | 125.2° | 54.5° |
| N24 | C27 | C34 | C30 | 23.9° | 61.4° |
| N24 | C27 | C34 | H341 | 140.2° | 58.5° |
| N24 | C27 | C34 | H342 | 96.1° | 178.7° |
| C29 | N24 | C25 | C26 | 0.1° | 65.5° |
| C29 | N24 | C25 | C28 | 179.9° | 114.8° |
| C29 | N24 | C27 | C34 | 4.5° | 65.6° |
| C29 | N24 | C27 | H271 | 119.7° | 174.3° |
| C29 | N24 | C27 | H272 | 115.5° | 54.5° |
| N24 | C29 | C37 | H291 | 115.3° | 120.1° |
| N24 | C29 | C37 | H292 | 120.0° | 120.1° |
| N24 | C29 | H291 | H292 | 117.2° | 119.8° |
| N24 | C29 | C37 | C30 | 21.9° | 61.4° |
| N24 | C29 | C37 | H371 | 94.1° | 178.7° |
| N24 | C29 | C37 | H372 | 141.9° | 58.6° |
| C26 | C25 | C28 | C36 | 0.1° | 0.6° |
| C26 | C25 | C28 | H28 | 179.9° | 180.0° |
| C28 | C25 | C26 | H26 | 179.9° | 179.7° |
| C25 | C28 | C36 | H28 | 180.0° | 179.4° |
| C25 | C28 | C36 | N35 | 0.1° | 0.6° |
| C25 | C28 | C36 | H36 | 179.9° | 179.7° |
| C34 | C27 | H271 | H272 | 117.2° | 119.9° |
| C27 | C34 | C30 | C31 | 75.9° | 64.2° |
| C27 | C34 | C30 | H341 | 116.3° | 119.9° |
| C27 | C34 | C30 | H342 | 120.0° | 119.9° |
| C27 | C34 | C30 | C37 | 47.5° | 55.6° |
| C27 | C34 | H341 | H342 | 117.7° | 120.1° |
| H271 | C27 | C34 | C30 | 91.3° | 178.5° |
| H271 | C27 | C34 | H341 | 25.0° | 61.6° |
| H271 | C27 | C34 | H342 | 148.7° | 58.6° |
| H272 | C27 | C34 | C30 | 143.9° | 58.7° |
| H272 | C27 | C34 | H341 | 99.8° | 178.6° |
| H272 | C27 | C34 | H342 | 23.9° | 61.2° |
| C28 | C36 | N35 | H36 | 180.0° | 179.6° |
| H28 | C28 | C36 | N35 | 179.9° | 180.0° |
| H28 | C28 | C36 | H36 | 0.1° | 0.3° |
| C37 | C29 | H291 | H292 | 117.2° | 119.9° |
| C29 | C37 | C30 | C31 | 76.9° | 64.2° |
| C29 | C37 | C30 | C34 | 46.8° | 55.6° |
| C29 | C37 | C30 | H371 | 116.1° | 119.8° |
| C29 | C37 | C30 | H372 | 120.0° | 120.0° |
| C29 | C37 | H371 | H372 | 117.7° | 120.2° |
| H291 | C29 | C37 | C30 | 137.2° | 178.5° |
| H291 | C29 | C37 | H371 | 21.2° | 58.6° |
| H291 | C29 | C37 | H372 | 102.8° | 61.5° |
| H292 | C29 | C37 | C30 | 98.1° | 58.7° |
| H292 | C29 | C37 | H371 | 145.9° | 61.1° |
| H292 | C29 | C37 | H372 | 21.9° | 178.7° |
| C31 | C30 | C34 | C37 | 123.4° | 119.9° |
| C30 | C31 | N32 | H31 | 180.0° | 180.0° |
| C30 | C31 | N32 | O33 | 132.5° | 180.0° |
| C31 | C30 | C34 | H341 | 40.4° | 175.8° |
| C31 | C30 | C34 | H342 | 164.1° | 55.7° |
| C31 | C30 | C37 | H371 | 167.1° | 55.6° |
| C31 | C30 | C37 | H372 | 43.1° | 175.8° |
| C34 | C30 | C31 | N32 | 162.3° | 117.8° |
| C34 | C30 | C31 | H31 | 17.7° | 62.3° |
| C30 | C34 | H341 | H342 | 117.7° | 120.1° |
| C34 | C30 | C37 | H371 | 69.2° | 175.5° |
| C34 | C30 | C37 | H372 | 166.8° | 64.3° |
| C37 | C30 | C31 | N32 | 40.6° | 122.8° |
| C37 | C30 | C31 | H31 | 139.4° | 57.2° |
| C37 | C30 | C34 | H341 | 163.8° | 64.3° |
| C37 | C30 | C34 | H342 | 72.5° | 175.5° |
| C30 | C37 | H371 | H372 | 117.6° | 120.2° |
| C31 | N32 | O33 | H33 | 177.3° | 179.9° |
| H31 | C31 | N32 | O33 | 47.5° | 0.0° |
