XMA
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C2 | doub | 1.36Å | 1.45Å | Aromatic |
| C1 | C6 | sing | 1.41Å | 1.45Å | Aromatic |
| C1 | H1 | sing | 1.08Å | 1.08Å | |
| C2 | C5 | sing | 1.39Å | 1.51Å | Aromatic |
| C2 | S12 | sing | 1.76Å | 1.73Å | |
| C3 | C4 | sing | 1.41Å | 1.48Å | Aromatic |
| C3 | C6 | doub | 1.42Å | 1.57Å | Aromatic |
| C3 | C9 | sing | 1.41Å | 1.45Å | Aromatic |
| C4 | C5 | doub | 1.36Å | 1.45Å | Aromatic |
| C4 | H4 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C8 | sing | 1.41Å | 1.48Å | Aromatic |
| CL7 | C11 | sing | 1.74Å | 1.75Å | |
| C8 | C10 | doub | 1.36Å | 1.43Å | Aromatic |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | C11 | doub | 1.36Å | 1.46Å | Aromatic |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| C10 | C11 | sing | 1.39Å | 1.48Å | Aromatic |
| C10 | H10 | sing | 1.08Å | 1.08Å | |
| S12 | O13 | doub | 1.42Å | 1.56Å | |
| S12 | O14 | doub | 1.42Å | 1.54Å | |
| S12 | N18 | sing | 1.66Å | 1.69Å | |
| C15 | O16 | doub | 1.21Å | 1.23Å | |
| C15 | C17 | sing | 1.51Å | 1.57Å | |
| C15 | N24 | sing | 1.33Å | 1.44Å | |
| C17 | N18 | sing | 1.46Å | 1.49Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N18 | C23 | sing | 1.47Å | 1.48Å | |
| C19 | C20 | sing | 1.53Å | 1.58Å | |
| C19 | C23 | sing | 1.53Å | 1.59Å | |
| C19 | N24 | sing | 1.48Å | 1.51Å | |
| C19 | O34 | sing | 1.43Å | 1.43Å | |
| C20 | O21 | sing | 1.43Å | 1.45Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| O21 | C22 | sing | 1.43Å | 1.37Å | |
| C22 | H221 | sing | 1.09Å | 1.10Å | |
| C22 | H222 | sing | 1.09Å | 1.10Å | |
| C22 | H223 | sing | 1.09Å | 1.10Å | |
| C23 | H231 | sing | 1.09Å | 1.10Å | |
| C23 | H232 | sing | 1.09Å | 1.10Å | |
| N24 | C25 | sing | 1.48Å | 1.48Å | |
| C25 | C33 | sing | 1.55Å | 1.56Å | |
| C25 | H251 | sing | 1.09Å | 1.10Å | |
| C25 | H252 | sing | 1.09Å | 1.10Å | |
| C26 | C29 | doub | 1.38Å | 1.43Å | Aromatic |
| C26 | N36 | sing | 1.32Å | 1.39Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| N27 | C28 | sing | 1.39Å | 1.50Å | |
| N27 | C30 | sing | 1.47Å | 1.55Å | |
| N27 | C32 | sing | 1.47Å | 1.55Å | |
| C28 | C29 | sing | 1.39Å | 1.48Å | Aromatic |
| C28 | C31 | doub | 1.40Å | 1.48Å | Aromatic |
| C29 | H29 | sing | 1.08Å | 1.08Å | |
| C30 | C35 | sing | 1.53Å | 1.56Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C31 | C37 | sing | 1.38Å | 1.43Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C38 | sing | 1.53Å | 1.57Å | |
| C32 | H321 | sing | 1.09Å | 1.10Å | |
| C32 | H322 | sing | 1.09Å | 1.10Å | |
| C33 | O34 | sing | 1.45Å | 1.46Å | |
| C33 | C35 | sing | 1.52Å | 1.59Å | |
| C33 | C38 | sing | 1.52Å | 1.58Å | |
| C35 | H351 | sing | 1.09Å | 1.10Å | |
| C35 | H352 | sing | 1.09Å | 1.10Å | |
| N36 | C37 | doub | 1.32Å | 1.38Å | Aromatic |
| C37 | H37 | sing | 1.08Å | 1.08Å | |
| C38 | H381 | sing | 1.09Å | 1.10Å | |
| C38 | H382 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C6 | 121.8° | 119.6° |
| C2 | C1 | H1 | 119.1° | 120.1° |
| C1 | C2 | C5 | 119.1° | 121.0° |
| C1 | C2 | S12 | 118.2° | 119.5° |
| C6 | C1 | H1 | 119.1° | 120.2° |
| C1 | C6 | C3 | 118.8° | 119.4° |
| C1 | C6 | C8 | 121.8° | 121.2° |
| C5 | C2 | S12 | 122.5° | 119.5° |
| C2 | C5 | C4 | 121.9° | 121.0° |
| C2 | C5 | H5 | 119.0° | 119.5° |
| C2 | S12 | O13 | 108.0° | 105.8° |
| C2 | S12 | O14 | 111.0° | 105.8° |
| C2 | S12 | N18 | 109.1° | 107.4° |
| C4 | C3 | C6 | 118.7° | 119.3° |
| C4 | C3 | C9 | 123.3° | 121.3° |
| C3 | C4 | C5 | 119.7° | 119.7° |
| C3 | C4 | H4 | 120.1° | 120.1° |
| C6 | C3 | C9 | 118.0° | 119.4° |
| C3 | C6 | C8 | 119.4° | 119.4° |
| C3 | C9 | C11 | 120.4° | 119.7° |
| C3 | C9 | H9 | 119.8° | 120.1° |
| 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 | 120.1° | 119.5° |
| CL7 | C11 | C10 | 118.8° | 119.5° |
| C10 | C8 | H8 | 120.3° | 120.2° |
| C8 | C10 | C11 | 121.6° | 121.0° |
| C8 | C10 | H10 | 119.2° | 119.5° |
| C11 | C9 | H9 | 119.8° | 120.2° |
| C9 | C11 | C10 | 121.1° | 121.0° |
| C11 | C10 | H10 | 119.2° | 119.5° |
| O13 | S12 | O14 | 111.6° | 125.4° |
| O13 | S12 | N18 | 106.4° | 105.7° |
| O14 | S12 | N18 | 110.5° | 105.8° |
| S12 | N18 | C17 | 126.4° | 119.4° |
| S12 | N18 | C23 | 111.4° | 119.5° |
| O16 | C15 | C17 | 118.7° | 119.6° |
| O16 | C15 | N24 | 124.8° | 119.6° |
| C17 | C15 | N24 | 116.5° | 120.7° |
| C15 | C17 | N18 | 117.6° | 111.0° |
| C15 | C17 | H171 | 105.0° | 109.1° |
| C15 | C17 | H172 | 106.9° | 109.2° |
| C15 | N24 | C19 | 124.7° | 126.2° |
| C15 | N24 | C25 | 124.2° | 129.3° |
| N18 | C17 | H171 | 105.0° | 109.2° |
| N18 | C17 | H172 | 106.8° | 109.2° |
| C17 | N18 | C23 | 115.9° | 121.1° |
| H171 | C17 | H172 | 116.1° | 109.1° |
| N18 | C23 | C19 | 111.1° | 108.0° |
| N18 | C23 | H231 | 108.5° | 109.8° |
| N18 | C23 | H232 | 108.9° | 109.8° |
| C20 | C19 | C23 | 106.6° | 110.0° |
| C20 | C19 | N24 | 117.2° | 110.0° |
| C20 | C19 | O34 | 108.2° | 110.0° |
| C19 | C20 | O21 | 114.8° | 109.5° |
| C19 | C20 | H201 | 106.5° | 109.5° |
| C19 | C20 | H202 | 107.7° | 109.4° |
| C23 | C19 | N24 | 110.1° | 107.3° |
| C23 | C19 | O34 | 108.7° | 110.8° |
| C19 | C23 | H231 | 108.5° | 109.7° |
| C19 | C23 | H232 | 108.9° | 109.8° |
| N24 | C19 | O34 | 105.8° | 108.7° |
| C19 | N24 | C25 | 107.4° | 104.4° |
| C19 | O34 | C33 | 112.0° | 107.2° |
| O21 | C20 | H201 | 106.6° | 109.5° |
| O21 | C20 | H202 | 107.7° | 109.5° |
| C20 | O21 | C22 | 116.7° | 106.8° |
| H201 | C20 | H202 | 113.7° | 109.4° |
| O21 | C22 | H221 | 109.5° | 109.5° |
| O21 | C22 | H222 | 109.5° | 109.5° |
| O21 | C22 | H223 | 109.5° | 109.5° |
| H221 | C22 | H222 | 109.5° | 109.4° |
| H221 | C22 | H223 | 109.5° | 109.5° |
| H222 | C22 | H223 | 109.4° | 109.5° |
| H231 | C23 | H232 | 110.8° | 109.8° |
| N24 | C25 | C33 | 103.2° | 101.1° |
| N24 | C25 | H251 | 113.0° | 111.1° |
| N24 | C25 | H252 | 111.6° | 111.1° |
| C33 | C25 | H251 | 113.0° | 111.1° |
| C33 | C25 | H252 | 111.6° | 111.1° |
| C25 | C33 | O34 | 103.3° | 104.9° |
| C25 | C33 | C35 | 112.7° | 110.0° |
| C25 | C33 | C38 | 114.9° | 110.0° |
| H251 | C25 | H252 | 104.7° | 111.0° |
| C29 | C26 | N36 | 122.9° | 120.8° |
| C29 | C26 | H26 | 118.6° | 119.6° |
| C26 | C29 | C28 | 119.3° | 119.1° |
| C26 | C29 | H29 | 120.4° | 120.4° |
| N36 | C26 | H26 | 118.5° | 119.6° |
| C26 | N36 | C37 | 119.6° | 121.9° |
| C28 | N27 | C30 | 121.2° | 106.7° |
| C28 | N27 | C32 | 121.5° | 106.7° |
| N27 | C28 | C29 | 121.8° | 120.9° |
| N27 | C28 | C31 | 121.8° | 120.8° |
| C30 | N27 | C32 | 117.3° | 107.4° |
| N27 | C30 | C35 | 110.9° | 109.6° |
| N27 | C30 | H301 | 108.7° | 109.5° |
| N27 | C30 | H302 | 109.0° | 109.4° |
| N27 | C32 | C38 | 111.7° | 109.7° |
| N27 | C32 | H321 | 108.2° | 109.5° |
| N27 | C32 | H322 | 108.7° | 109.4° |
| C29 | C28 | C31 | 116.4° | 118.3° |
| C28 | C29 | H29 | 120.4° | 120.5° |
| C28 | C31 | C37 | 119.3° | 119.1° |
| C28 | C31 | H31 | 120.3° | 120.5° |
| C35 | C30 | H301 | 108.7° | 109.5° |
| C35 | C30 | H302 | 109.0° | 109.4° |
| C30 | C35 | C33 | 113.8° | 109.3° |
| C30 | C35 | H351 | 107.1° | 109.5° |
| C30 | C35 | H352 | 108.1° | 109.5° |
| H301 | C30 | H302 | 110.5° | 109.5° |
| C37 | C31 | H31 | 120.3° | 120.5° |
| C31 | C37 | N36 | 122.6° | 120.8° |
| C31 | C37 | H37 | 118.7° | 119.6° |
| C38 | C32 | H321 | 108.2° | 109.4° |
| C38 | C32 | H322 | 108.7° | 109.5° |
| C32 | C38 | C33 | 113.9° | 109.2° |
| C32 | C38 | H381 | 107.0° | 109.5° |
| C32 | C38 | H382 | 108.0° | 109.5° |
| H321 | C32 | H322 | 111.3° | 109.3° |
| O34 | C33 | C35 | 111.0° | 110.2° |
| O34 | C33 | C38 | 108.4° | 111.1° |
| C35 | C33 | C38 | 106.5° | 110.5° |
| C33 | C35 | H351 | 107.1° | 109.5° |
| C33 | C35 | H352 | 108.1° | 109.5° |
| C33 | C38 | H381 | 107.0° | 109.5° |
| C33 | C38 | H382 | 108.0° | 109.5° |
| H351 | C35 | H352 | 112.9° | 109.5° |
| N36 | C37 | H37 | 118.7° | 119.6° |
| H381 | C38 | H382 | 113.0° | 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 | 175.3° | 179.6° |
| C2 | C1 | C6 | C3 | 0.2° | 0.5° |
| C1 | C2 | C5 | C4 | 0.0° | 0.4° |
| C1 | C2 | C5 | H5 | 180.0° | 179.7° |
| C2 | C1 | C6 | C8 | 179.5° | 179.8° |
| C1 | C2 | S12 | O13 | 25.1° | 161.6° |
| C1 | C2 | S12 | O14 | 147.8° | 26.8° |
| C1 | C2 | S12 | N18 | 90.2° | 85.8° |
| C6 | C1 | C2 | C5 | 0.2° | 0.6° |
| C6 | C1 | C2 | S12 | 175.7° | 179.8° |
| C1 | C6 | C3 | C4 | 0.0° | 0.2° |
| C1 | C6 | C3 | C8 | 179.7° | 179.8° |
| C1 | C6 | C3 | C9 | 179.7° | 179.7° |
| C1 | C6 | C8 | C10 | 179.6° | 179.8° |
| C1 | C6 | C8 | H8 | 0.4° | 0.4° |
| H1 | C1 | C2 | C5 | 179.8° | 179.7° |
| H1 | C1 | C2 | S12 | 4.4° | 0.0° |
| H1 | C1 | C6 | C3 | 179.8° | 179.8° |
| H1 | C1 | C6 | C8 | 0.4° | 0.0° |
| C2 | C5 | C4 | C3 | 0.1° | 0.0° |
| C2 | C5 | C4 | H5 | 180.0° | 179.9° |
| C2 | C5 | C4 | H4 | 179.9° | 179.9° |
| C5 | C2 | S12 | O13 | 159.6° | 18.0° |
| C5 | C2 | S12 | O14 | 36.9° | 152.9° |
| C5 | C2 | S12 | N18 | 85.1° | 94.5° |
| S12 | C2 | C5 | C4 | 175.3° | 180.0° |
| S12 | C2 | C5 | H5 | 4.7° | 0.1° |
| C2 | S12 | O13 | O14 | 122.3° | 123.2° |
| C2 | S12 | O13 | N18 | 117.1° | 113.7° |
| C2 | S12 | O14 | N18 | 121.2° | 113.7° |
| C2 | S12 | N18 | C17 | 84.6° | 86.0° |
| C2 | S12 | N18 | C23 | 66.0° | 94.0° |
| C4 | C3 | C6 | C9 | 179.7° | 179.9° |
| C3 | C4 | C5 | H4 | 180.0° | 179.9° |
| C3 | C4 | C5 | H5 | 179.9° | 180.0° |
| C4 | C3 | C6 | C8 | 179.7° | 179.9° |
| C4 | C3 | C9 | C11 | 179.6° | 179.9° |
| C4 | C3 | C9 | H9 | 0.4° | 0.1° |
| C6 | C3 | C4 | C5 | 0.1° | 0.1° |
| C6 | C3 | C4 | H4 | 179.9° | 180.0° |
| C3 | C6 | C8 | C10 | 0.1° | 0.0° |
| C3 | C6 | C8 | H8 | 179.9° | 179.8° |
| C6 | C3 | C9 | C11 | 0.1° | 0.1° |
| C6 | C3 | C9 | H9 | 179.9° | 180.0° |
| C9 | C3 | C4 | C5 | 179.5° | 179.9° |
| C9 | C3 | C4 | H4 | 0.5° | 0.1° |
| C9 | C3 | C6 | C8 | 0.0° | 0.0° |
| C3 | C9 | C11 | CL7 | 179.6° | 180.0° |
| C3 | C9 | C11 | H9 | 180.0° | 179.9° |
| C3 | C9 | C11 | C10 | 0.1° | 0.0° |
| H4 | C4 | C5 | H5 | 0.1° | 0.0° |
| C6 | C8 | C10 | H8 | 180.0° | 179.8° |
| C6 | C8 | C10 | C11 | 0.1° | 0.1° |
| C6 | C8 | C10 | H10 | 179.9° | 180.0° |
| CL7 | C11 | C10 | C8 | 179.7° | 179.9° |
| CL7 | C11 | C9 | C10 | 179.7° | 180.0° |
| CL7 | C11 | C9 | H9 | 0.4° | 0.1° |
| CL7 | C11 | C10 | H10 | 0.3° | 0.0° |
| C8 | C10 | C11 | C9 | 0.0° | 0.1° |
| C8 | C10 | C11 | H10 | 180.0° | 179.9° |
| H8 | C8 | C10 | C11 | 180.0° | 179.9° |
| H8 | C8 | C10 | H10 | 0.0° | 0.2° |
| C9 | C11 | C10 | H10 | 180.0° | 180.0° |
| H9 | C9 | C11 | C10 | 179.9° | 179.9° |
| O13 | S12 | O14 | N18 | 118.2° | 123.1° |
| O13 | S12 | N18 | C17 | 31.7° | 161.4° |
| O13 | S12 | N18 | C23 | 177.6° | 18.6° |
| O14 | S12 | N18 | C17 | 153.1° | 26.6° |
| O14 | S12 | N18 | C23 | 56.3° | 153.4° |
| S12 | N18 | C17 | C15 | 179.3° | 151.4° |
| S12 | N18 | C17 | C23 | 149.5° | 179.9° |
| S12 | N18 | C17 | H171 | 63.1° | 88.2° |
| S12 | N18 | C17 | H172 | 60.7° | 31.0° |
| S12 | N18 | C23 | C19 | 150.8° | 124.5° |
| S12 | N18 | C23 | H231 | 90.0° | 115.9° |
| S12 | N18 | C23 | H232 | 30.8° | 4.8° |
| O16 | C15 | C17 | N24 | 179.5° | 180.0° |
| O16 | C15 | C17 | N18 | 179.5° | 177.7° |
| O16 | C15 | C17 | H171 | 64.3° | 61.9° |
| O16 | C15 | C17 | H172 | 59.5° | 57.3° |
| O16 | C15 | N24 | C19 | 179.5° | 172.6° |
| O16 | C15 | N24 | C25 | 23.9° | 10.1° |
| C15 | C17 | N18 | H171 | 116.2° | 120.4° |
| C15 | C17 | N18 | H172 | 120.0° | 120.5° |
| C15 | C17 | H171 | H172 | 117.7° | 119.2° |
| C15 | C17 | N18 | C23 | 29.8° | 28.6° |
| C17 | C15 | N24 | C19 | 0.0° | 7.3° |
| C17 | C15 | N24 | C25 | 155.5° | 170.0° |
| N24 | C15 | C17 | N18 | 0.9° | 2.2° |
| N24 | C15 | C17 | H171 | 115.3° | 118.2° |
| N24 | C15 | C17 | H172 | 120.9° | 122.7° |
| C15 | N24 | C19 | C20 | 97.4° | 86.4° |
| C15 | N24 | C19 | C23 | 24.6° | 33.4° |
| C15 | N24 | C19 | C25 | 159.0° | 177.9° |
| C15 | N24 | C19 | O34 | 141.9° | 153.2° |
| C15 | N24 | C25 | C33 | 131.5° | 142.3° |
| C15 | N24 | C25 | H251 | 106.2° | 24.4° |
| C15 | N24 | C25 | H252 | 11.5° | 99.7° |
| N18 | C17 | H171 | H172 | 117.7° | 119.3° |
| C17 | N18 | C23 | C19 | 55.3° | 55.6° |
| C17 | N18 | C23 | H231 | 64.0° | 64.0° |
| C17 | N18 | C23 | H232 | 175.3° | 175.2° |
| H171 | C17 | N18 | C23 | 86.4° | 91.7° |
| H172 | C17 | N18 | C23 | 149.8° | 149.1° |
| N18 | C23 | C19 | C20 | 77.0° | 67.4° |
| N18 | C23 | C19 | H231 | 119.3° | 119.7° |
| N18 | C23 | C19 | H232 | 120.0° | 119.6° |
| N18 | C23 | C19 | N24 | 51.1° | 52.3° |
| N18 | C23 | C19 | O34 | 166.6° | 170.7° |
| N18 | C23 | H231 | H232 | 119.5° | 120.8° |
| C20 | C19 | C23 | N24 | 128.1° | 119.7° |
| C20 | C19 | C23 | O34 | 116.4° | 121.8° |
| C20 | C19 | N24 | O34 | 120.7° | 120.5° |
| C19 | C20 | O21 | H201 | 117.6° | 120.1° |
| C19 | C20 | O21 | H202 | 120.0° | 119.9° |
| C19 | C20 | H201 | H202 | 118.5° | 120.0° |
| C19 | C20 | O21 | C22 | 145.3° | 179.2° |
| C20 | C19 | C23 | H231 | 163.7° | 172.9° |
| C20 | C19 | C23 | H232 | 43.0° | 52.2° |
| C20 | C19 | N24 | C25 | 103.6° | 95.8° |
| C20 | C19 | O34 | C33 | 128.1° | 118.6° |
| C23 | C19 | N24 | O34 | 117.3° | 119.8° |
| C23 | C19 | C20 | O21 | 179.0° | 60.2° |
| C23 | C19 | C20 | H201 | 61.4° | 179.7° |
| C23 | C19 | C20 | H202 | 61.0° | 59.8° |
| C19 | C23 | H231 | H232 | 119.6° | 120.7° |
| C23 | C19 | N24 | C25 | 134.4° | 144.5° |
| C23 | C19 | O34 | C33 | 116.5° | 119.6° |
| N24 | C19 | C20 | O21 | 57.1° | 178.2° |
| N24 | C19 | C20 | H201 | 174.8° | 61.7° |
| N24 | C19 | C20 | H202 | 62.8° | 58.2° |
| N24 | C19 | C23 | H231 | 68.2° | 67.4° |
| N24 | C19 | C23 | H232 | 171.1° | 171.9° |
| C19 | N24 | C25 | C33 | 27.7° | 35.5° |
| C19 | N24 | C25 | H251 | 94.7° | 153.4° |
| C19 | N24 | C25 | H252 | 147.7° | 82.5° |
| N24 | C19 | O34 | C33 | 1.8° | 1.9° |
| O34 | C19 | C20 | O21 | 62.3° | 62.1° |
| O34 | C19 | C20 | H201 | 55.4° | 57.9° |
| O34 | C19 | C20 | H202 | 177.7° | 177.9° |
| O34 | C19 | C23 | H231 | 47.3° | 51.1° |
| O34 | C19 | C23 | H232 | 73.5° | 69.6° |
| O34 | C19 | N24 | C25 | 17.1° | 24.7° |
| C19 | O34 | C33 | C25 | 18.5° | 20.5° |
| C19 | O34 | C33 | C35 | 102.5° | 138.9° |
| C19 | O34 | C33 | C38 | 140.9° | 98.3° |
| O21 | C20 | H201 | H202 | 118.5° | 120.0° |
| C20 | O21 | C22 | H221 | 129.2° | 177.8° |
| C20 | O21 | C22 | H222 | 9.2° | 62.2° |
| C20 | O21 | C22 | H223 | 110.8° | 57.9° |
| H201 | C20 | O21 | C22 | 27.7° | 60.8° |
| H202 | C20 | O21 | C22 | 94.7° | 59.2° |
| O21 | C22 | H221 | H222 | 120.0° | 120.0° |
| O21 | C22 | H221 | H223 | 120.0° | 120.0° |
| O21 | C22 | H222 | H223 | 120.0° | 120.0° |
| H221 | C22 | H222 | H223 | 120.0° | 120.0° |
| N24 | C25 | C33 | H251 | 122.3° | 118.0° |
| N24 | C25 | C33 | H252 | 120.0° | 118.0° |
| N24 | C25 | H251 | H252 | 121.7° | 124.2° |
| N24 | C25 | C33 | O34 | 27.8° | 34.8° |
| N24 | C25 | C33 | C35 | 92.0° | 153.3° |
| N24 | C25 | C33 | C38 | 145.7° | 84.7° |
| C33 | C25 | H251 | H252 | 121.7° | 124.1° |
| C25 | C33 | C35 | C30 | 68.0° | 175.6° |
| C25 | C33 | C38 | C32 | 68.3° | 175.6° |
| C25 | C33 | O34 | C35 | 121.0° | 118.3° |
| C25 | C33 | O34 | C38 | 122.3° | 118.8° |
| C25 | C33 | C35 | C38 | 126.9° | 121.7° |
| C25 | C33 | C35 | H351 | 173.9° | 55.7° |
| C25 | C33 | C35 | H352 | 52.0° | 64.5° |
| C25 | C33 | C38 | H381 | 49.7° | 64.5° |
| C25 | C33 | C38 | H382 | 171.7° | 55.7° |
| H251 | C25 | C33 | O34 | 94.5° | 152.8° |
| H251 | C25 | C33 | C35 | 145.7° | 88.7° |
| H251 | C25 | C33 | C38 | 23.4° | 33.2° |
| H252 | C25 | C33 | O34 | 147.8° | 83.2° |
| H252 | C25 | C33 | C35 | 28.0° | 35.3° |
| H252 | C25 | C33 | C38 | 94.3° | 157.3° |
| C29 | C26 | N36 | H26 | 180.0° | 179.6° |
| C26 | C29 | C28 | N27 | 179.7° | 179.7° |
| C26 | C29 | C28 | H29 | 180.0° | 179.5° |
| C26 | C29 | C28 | C31 | 0.2° | 0.5° |
| C29 | C26 | N36 | C37 | 0.1° | 0.3° |
| N36 | C26 | C29 | C28 | 0.2° | 0.6° |
| N36 | C26 | C29 | H29 | 179.9° | 179.9° |
| C26 | N36 | C37 | C31 | 0.0° | 0.0° |
| C26 | N36 | C37 | H37 | 180.0° | 179.9° |
| H26 | C26 | C29 | C28 | 179.8° | 179.8° |
| H26 | C26 | C29 | H29 | 0.1° | 0.3° |
| H26 | C26 | N36 | C37 | 179.9° | 179.9° |
| C28 | N27 | C30 | C32 | 179.8° | 114.0° |
| N27 | C28 | C29 | C31 | 179.9° | 179.8° |
| N27 | C28 | C29 | H29 | 0.2° | 0.2° |
| C28 | N27 | C30 | C35 | 135.1° | 179.8° |
| C28 | N27 | C30 | H301 | 15.7° | 60.2° |
| C28 | N27 | C30 | H302 | 104.9° | 59.8° |
| N27 | C28 | C31 | C37 | 179.8° | 179.9° |
| N27 | C28 | C31 | H31 | 0.2° | 0.1° |
| C28 | N27 | C32 | C38 | 136.2° | 179.8° |
| C28 | N27 | C32 | H321 | 104.7° | 60.2° |
| C28 | N27 | C32 | H322 | 16.2° | 59.6° |
| C30 | N27 | C28 | C29 | 179.9° | 114.3° |
| C30 | N27 | C28 | C31 | 0.0° | 65.5° |
| N27 | C30 | C35 | H301 | 119.4° | 120.1° |
| N27 | C30 | C35 | H302 | 120.0° | 119.9° |
| N27 | C30 | H301 | H302 | 119.6° | 119.9° |
| C30 | N27 | C32 | C38 | 43.9° | 66.2° |
| C30 | N27 | C32 | H321 | 75.1° | 53.9° |
| C30 | N27 | C32 | H322 | 163.9° | 173.7° |
| N27 | C30 | C35 | C33 | 53.1° | 60.3° |
| N27 | C30 | C35 | H351 | 65.0° | 59.6° |
| N27 | C30 | C35 | H352 | 173.1° | 179.7° |
| C32 | N27 | C28 | C29 | 0.1° | 0.2° |
| C32 | N27 | C28 | C31 | 179.8° | 180.0° |
| C32 | N27 | C30 | C35 | 45.1° | 66.2° |
| C32 | N27 | C30 | H301 | 164.5° | 53.9° |
| C32 | N27 | C30 | H302 | 75.0° | 173.9° |
| N27 | C32 | C38 | H321 | 119.0° | 120.1° |
| N27 | C32 | C38 | H322 | 120.0° | 120.1° |
| N27 | C32 | H321 | H322 | 119.3° | 119.9° |
| N27 | C32 | C38 | C33 | 50.7° | 60.3° |
| N27 | C32 | C38 | H381 | 168.8° | 179.7° |
| N27 | C32 | C38 | H382 | 69.3° | 59.6° |
| C29 | C28 | C31 | C37 | 0.1° | 0.3° |
| C29 | C28 | C31 | H31 | 179.8° | 179.8° |
| C31 | C28 | C29 | H29 | 179.8° | 179.9° |
| C28 | C31 | C37 | H31 | 180.0° | 179.9° |
| C28 | C31 | C37 | N36 | 0.0° | 0.0° |
| C28 | C31 | C37 | H37 | 180.0° | 179.9° |
| C35 | C30 | H301 | H302 | 119.6° | 119.9° |
| C30 | C35 | C33 | O34 | 176.7° | 69.2° |
| C30 | C35 | C33 | H351 | 118.1° | 120.0° |
| C30 | C35 | C33 | H352 | 120.0° | 119.9° |
| C30 | C35 | C33 | C38 | 58.9° | 54.0° |
| C30 | C35 | H351 | H352 | 118.8° | 120.1° |
| H301 | C30 | C35 | C33 | 172.5° | 59.8° |
| H301 | C30 | C35 | H351 | 54.5° | 179.7° |
| H301 | C30 | C35 | H352 | 67.4° | 60.2° |
| H302 | C30 | C35 | C33 | 66.9° | 179.8° |
| H302 | C30 | C35 | H351 | 175.0° | 60.3° |
| H302 | C30 | C35 | H352 | 53.1° | 59.8° |
| C31 | C37 | N36 | H37 | 180.0° | 179.9° |
| H31 | C31 | C37 | N36 | 179.9° | 179.9° |
| H31 | C31 | C37 | H37 | 0.1° | 0.1° |
| C38 | C32 | H321 | H322 | 119.4° | 119.9° |
| C32 | C38 | C33 | O34 | 176.8° | 68.8° |
| C32 | C38 | C33 | C35 | 57.3° | 53.9° |
| C32 | C38 | C33 | H381 | 118.0° | 119.9° |
| C32 | C38 | C33 | H382 | 120.0° | 119.9° |
| C32 | C38 | H381 | H382 | 118.8° | 120.1° |
| H321 | C32 | C38 | C33 | 68.3° | 59.8° |
| H321 | C32 | C38 | H381 | 49.7° | 60.1° |
| H321 | C32 | C38 | H382 | 171.7° | 179.7° |
| H322 | C32 | C38 | C33 | 170.7° | 179.6° |
| H322 | C32 | C38 | H381 | 71.3° | 59.7° |
| H322 | C32 | C38 | H382 | 50.7° | 60.5° |
| O34 | C33 | C35 | C38 | 117.8° | 123.2° |
| O34 | C33 | C35 | H351 | 58.6° | 170.8° |
| O34 | C33 | C35 | H352 | 63.3° | 50.7° |
| O34 | C33 | C38 | H381 | 65.2° | 51.2° |
| O34 | C33 | C38 | H382 | 56.8° | 171.3° |
| C33 | C35 | H351 | H352 | 118.8° | 120.1° |
| C35 | C33 | C38 | H381 | 175.3° | 173.9° |
| C35 | C33 | C38 | H382 | 62.7° | 66.0° |
| C38 | C33 | C35 | H351 | 59.2° | 66.0° |
| C38 | C33 | C35 | H352 | 178.9° | 173.9° |
| C33 | C38 | H381 | H382 | 118.8° | 120.2° |
