XMH
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C1 | C9 | sing | 1.53Å | 1.57Å | |
| C1 | N21 | sing | 1.47Å | 1.51Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12A | sing | 1.09Å | 1.10Å | |
| C2 | C5 | doub | 1.38Å | 1.45Å | Aromatic |
| C2 | N11 | sing | 1.32Å | 1.40Å | Aromatic |
| C2 | H2 | sing | 1.08Å | 1.08Å | |
| N3 | C4 | sing | 1.39Å | 1.52Å | |
| N3 | C6 | sing | 1.47Å | 1.56Å | |
| N3 | C8 | sing | 1.47Å | 1.55Å | |
| C4 | C5 | sing | 1.39Å | 1.50Å | Aromatic |
| C4 | C7 | doub | 1.39Å | 1.50Å | Aromatic |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | C10 | sing | 1.53Å | 1.57Å | |
| C6 | H61 | sing | 1.09Å | 1.10Å | |
| C6 | H62 | sing | 1.09Å | 1.10Å | |
| C7 | C12 | sing | 1.38Å | 1.44Å | Aromatic |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | C13 | sing | 1.53Å | 1.57Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C9 | C10 | sing | 1.53Å | 1.58Å | |
| C9 | C13 | sing | 1.53Å | 1.58Å | |
| C9 | H9 | sing | 1.09Å | 1.10Å | |
| C10 | H101 | sing | 1.09Å | 1.10Å | |
| C10 | H102 | sing | 1.09Å | 1.10Å | |
| N11 | C12 | doub | 1.32Å | 1.40Å | Aromatic |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| S14 | O15 | doub | 1.42Å | 1.56Å | |
| S14 | N18 | sing | 1.66Å | 1.72Å | |
| S14 | O22 | doub | 1.42Å | 1.52Å | |
| S14 | C24 | sing | 1.76Å | 1.74Å | |
| C16 | C17 | sing | 1.53Å | 1.54Å | |
| C16 | N21 | sing | 1.47Å | 1.54Å | |
| C16 | C34 | sing | 1.51Å | 1.60Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | N18 | sing | 1.47Å | 1.49Å | |
| C17 | H171 | sing | 1.09Å | 1.10Å | |
| C17 | H172 | sing | 1.09Å | 1.10Å | |
| N18 | C20 | sing | 1.47Å | 1.52Å | |
| C19 | C20 | sing | 1.53Å | 1.57Å | |
| C19 | N21 | sing | 1.47Å | 1.52Å | |
| C19 | H191 | sing | 1.09Å | 1.10Å | |
| C19 | H192 | sing | 1.09Å | 1.10Å | |
| C20 | H201 | sing | 1.09Å | 1.10Å | |
| C20 | H202 | sing | 1.09Å | 1.10Å | |
| C23 | C24 | sing | 1.36Å | 1.47Å | Aromatic |
| C23 | C28 | doub | 1.40Å | 1.47Å | Aromatic |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C24 | C27 | doub | 1.39Å | 1.50Å | Aromatic |
| C25 | C26 | doub | 1.41Å | 1.48Å | Aromatic |
| C25 | C28 | sing | 1.42Å | 1.57Å | Aromatic |
| C25 | C31 | sing | 1.40Å | 1.46Å | Aromatic |
| C26 | C27 | sing | 1.36Å | 1.44Å | Aromatic |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C28 | C30 | sing | 1.40Å | 1.49Å | Aromatic |
| CL29 | C33 | sing | 1.74Å | 1.73Å | |
| C30 | C32 | doub | 1.36Å | 1.44Å | Aromatic |
| C30 | H30 | sing | 1.08Å | 1.08Å | |
| C31 | C33 | doub | 1.36Å | 1.44Å | Aromatic |
| C31 | H31 | sing | 1.08Å | 1.08Å | |
| C32 | C33 | sing | 1.39Å | 1.48Å | Aromatic |
| C32 | H32 | sing | 1.08Å | 1.08Å | |
| C34 | O35 | sing | 1.34Å | 1.38Å | |
| C34 | O38 | doub | 1.21Å | 1.23Å | |
| O35 | C36 | sing | 1.45Å | 1.48Å | |
| C36 | C37 | sing | 1.53Å | 1.55Å | |
| C36 | H361 | sing | 1.09Å | 1.10Å | |
| C36 | H362 | sing | 1.09Å | 1.10Å | |
| C37 | H371 | sing | 1.09Å | 1.10Å | |
| C37 | H372 | sing | 1.09Å | 1.10Å | |
| C37 | H373 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | C1 | N21 | 124.7° | 109.5° |
| C9 | C1 | H11 | 101.1° | 109.6° |
| C9 | C1 | H12A | 104.7° | 109.5° |
| C1 | C9 | C10 | 115.1° | 109.5° |
| C1 | C9 | C13 | 119.7° | 109.6° |
| C1 | C9 | H9 | 97.0° | 109.5° |
| N21 | C1 | H11 | 101.1° | 109.5° |
| N21 | C1 | H12A | 104.7° | 109.4° |
| C1 | N21 | C16 | 120.4° | 106.7° |
| C1 | N21 | C19 | 116.9° | 106.7° |
| H11 | C1 | H12A | 122.3° | 109.4° |
| C5 | C2 | N11 | 122.3° | 120.8° |
| C5 | C2 | H2 | 118.9° | 119.6° |
| C2 | C5 | C4 | 119.3° | 119.1° |
| C2 | C5 | H5 | 120.4° | 120.4° |
| N11 | C2 | H2 | 118.9° | 119.5° |
| C2 | N11 | C12 | 120.2° | 121.9° |
| C4 | N3 | C6 | 122.1° | 106.7° |
| C4 | N3 | C8 | 121.7° | 106.7° |
| N3 | C4 | C5 | 121.8° | 120.9° |
| N3 | C4 | C7 | 121.8° | 120.9° |
| C6 | N3 | C8 | 116.1° | 107.3° |
| N3 | C6 | C10 | 116.2° | 109.7° |
| N3 | C6 | H61 | 105.8° | 109.4° |
| N3 | C6 | H62 | 107.3° | 109.4° |
| N3 | C8 | C13 | 117.5° | 109.7° |
| N3 | C8 | H81 | 105.0° | 109.5° |
| N3 | C8 | H82 | 106.9° | 109.5° |
| C5 | C4 | C7 | 116.4° | 118.2° |
| C4 | C5 | H5 | 120.3° | 120.4° |
| C4 | C7 | C12 | 119.4° | 119.1° |
| C4 | C7 | H7 | 120.3° | 120.4° |
| C10 | C6 | H61 | 105.8° | 109.4° |
| C10 | C6 | H62 | 107.3° | 109.4° |
| C6 | C10 | C9 | 112.1° | 109.2° |
| C6 | C10 | H101 | 108.0° | 109.5° |
| C6 | C10 | H102 | 108.6° | 109.5° |
| H61 | C6 | H62 | 114.8° | 109.4° |
| C12 | C7 | H7 | 120.3° | 120.5° |
| C7 | C12 | N11 | 122.5° | 120.8° |
| C7 | C12 | H12 | 118.8° | 119.6° |
| C13 | C8 | H81 | 105.0° | 109.4° |
| C13 | C8 | H82 | 106.9° | 109.4° |
| C8 | C13 | C9 | 112.7° | 109.2° |
| C8 | C13 | H131 | 107.7° | 109.5° |
| C8 | C13 | H132 | 108.4° | 109.5° |
| H81 | C8 | H82 | 116.0° | 109.4° |
| C10 | C9 | C13 | 111.5° | 108.9° |
| C10 | C9 | H9 | 108.6° | 109.6° |
| C9 | C10 | H101 | 108.0° | 109.5° |
| C9 | C10 | H102 | 108.6° | 109.6° |
| C13 | C9 | H9 | 102.3° | 109.7° |
| C9 | C13 | H131 | 107.7° | 109.5° |
| C9 | C13 | H132 | 108.4° | 109.5° |
| H101 | C10 | H102 | 111.5° | 109.6° |
| N11 | C12 | H12 | 118.8° | 119.6° |
| H131 | C13 | H132 | 112.0° | 109.6° |
| O15 | S14 | N18 | 110.4° | 105.7° |
| O15 | S14 | O22 | 107.3° | 125.4° |
| O15 | S14 | C24 | 106.6° | 105.8° |
| N18 | S14 | O22 | 106.7° | 105.8° |
| N18 | S14 | C24 | 115.0° | 107.4° |
| S14 | N18 | C17 | 112.5° | 121.1° |
| S14 | N18 | C20 | 119.1° | 121.1° |
| O22 | S14 | C24 | 110.7° | 105.8° |
| S14 | C24 | C23 | 120.7° | 119.5° |
| S14 | C24 | C27 | 120.3° | 119.5° |
| C17 | C16 | N21 | 112.4° | 109.6° |
| C17 | C16 | C34 | 111.0° | 109.5° |
| C17 | C16 | H16 | 110.7° | 109.5° |
| C16 | C17 | N18 | 115.5° | 108.4° |
| C16 | C17 | H171 | 106.1° | 109.7° |
| C16 | C17 | H172 | 107.5° | 109.7° |
| N21 | C16 | C34 | 119.2° | 109.5° |
| N21 | C16 | H16 | 100.2° | 109.4° |
| C16 | N21 | C19 | 112.3° | 107.4° |
| C34 | C16 | H16 | 102.0° | 109.4° |
| C16 | C34 | O35 | 118.3° | 120.0° |
| C16 | C34 | O38 | 115.7° | 120.0° |
| N18 | C17 | H171 | 106.1° | 109.6° |
| N18 | C17 | H172 | 107.5° | 109.7° |
| C17 | N18 | C20 | 117.2° | 117.8° |
| H171 | C17 | H172 | 114.3° | 109.7° |
| N18 | C20 | C19 | 114.4° | 108.5° |
| N18 | C20 | H201 | 106.7° | 109.6° |
| N18 | C20 | H202 | 107.9° | 109.7° |
| C20 | C19 | N21 | 110.3° | 109.5° |
| C20 | C19 | H191 | 109.0° | 109.5° |
| C20 | C19 | H192 | 109.2° | 109.6° |
| C19 | C20 | H201 | 106.7° | 109.7° |
| C19 | C20 | H202 | 107.8° | 109.7° |
| N21 | C19 | H191 | 109.0° | 109.4° |
| N21 | C19 | H192 | 109.2° | 109.4° |
| H191 | C19 | H192 | 110.1° | 109.4° |
| H201 | C20 | H202 | 113.4° | 109.7° |
| C24 | C23 | C28 | 121.2° | 119.7° |
| C24 | C23 | H23 | 119.4° | 120.1° |
| C23 | C24 | C27 | 119.1° | 121.0° |
| C28 | C23 | H23 | 119.4° | 120.2° |
| C23 | C28 | C25 | 118.3° | 119.3° |
| C23 | C28 | C30 | 123.2° | 121.3° |
| C24 | C27 | C26 | 122.2° | 121.0° |
| C24 | C27 | H27 | 118.9° | 119.5° |
| C26 | C25 | C28 | 119.1° | 119.4° |
| C26 | C25 | C31 | 122.4° | 121.2° |
| C25 | C26 | C27 | 120.2° | 119.6° |
| C25 | C26 | H26 | 119.9° | 120.2° |
| C28 | C25 | C31 | 118.5° | 119.4° |
| C25 | C28 | C30 | 118.4° | 119.4° |
| C25 | C31 | C33 | 121.1° | 119.6° |
| C25 | C31 | H31 | 119.4° | 120.3° |
| C27 | C26 | H26 | 119.9° | 120.2° |
| C26 | C27 | H27 | 118.9° | 119.5° |
| C28 | C30 | C32 | 119.7° | 119.7° |
| C28 | C30 | H30 | 120.1° | 120.1° |
| CL29 | C33 | C31 | 118.6° | 119.5° |
| CL29 | C33 | C32 | 120.9° | 119.6° |
| C32 | C30 | H30 | 120.1° | 120.1° |
| C30 | C32 | C33 | 121.7° | 121.0° |
| C30 | C32 | H32 | 119.2° | 119.6° |
| C33 | C31 | H31 | 119.4° | 120.1° |
| C31 | C33 | C32 | 120.5° | 120.9° |
| C33 | C32 | H32 | 119.2° | 119.4° |
| O35 | C34 | O38 | 122.6° | 120.0° |
| C34 | O35 | C36 | 120.1° | 120.0° |
| O35 | C36 | C37 | 115.4° | 109.5° |
| O35 | C36 | H361 | 106.2° | 109.5° |
| O35 | C36 | H362 | 107.6° | 109.5° |
| C37 | C36 | H361 | 106.2° | 109.4° |
| C37 | C36 | H362 | 107.5° | 109.5° |
| C36 | C37 | H371 | 109.5° | 109.5° |
| C36 | C37 | H372 | 109.4° | 109.5° |
| C36 | C37 | H373 | 109.5° | 109.4° |
| H361 | C36 | H362 | 114.2° | 109.5° |
| H371 | C37 | H372 | 109.5° | 109.5° |
| H371 | C37 | H373 | 109.4° | 109.5° |
| H372 | C37 | H373 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | C1 | N21 | H11 | 112.0° | 120.1° |
| C9 | C1 | N21 | H12A | 120.0° | 120.0° |
| C9 | C1 | H11 | H12A | 115.5° | 120.0° |
| C1 | C9 | C10 | C6 | 164.5° | 175.5° |
| C1 | C9 | C13 | C8 | 169.1° | 175.4° |
| C1 | C9 | C10 | C13 | 140.5° | 119.8° |
| C1 | C9 | C10 | H9 | 107.5° | 120.2° |
| C1 | C9 | C13 | H9 | 105.6° | 120.3° |
| C1 | C9 | C10 | H101 | 45.7° | 64.7° |
| C1 | C9 | C10 | H102 | 75.5° | 55.5° |
| C1 | C9 | C13 | H131 | 72.3° | 55.5° |
| C1 | C9 | C13 | H132 | 49.1° | 64.7° |
| C9 | C1 | N21 | C16 | 153.9° | 155.4° |
| C9 | C1 | N21 | C19 | 64.0° | 90.0° |
| N21 | C1 | H11 | H12A | 115.5° | 119.9° |
| N21 | C1 | C9 | C10 | 134.6° | 179.5° |
| N21 | C1 | C9 | C13 | 2.5° | 60.1° |
| N21 | C1 | C9 | H9 | 111.0° | 60.3° |
| C1 | N21 | C16 | C17 | 161.6° | 179.0° |
| C1 | N21 | C16 | C19 | 143.7° | 114.1° |
| C1 | N21 | C16 | C34 | 29.2° | 58.9° |
| C1 | N21 | C16 | H16 | 80.8° | 61.0° |
| C1 | N21 | C19 | C20 | 158.8° | 179.1° |
| C1 | N21 | C19 | H191 | 39.2° | 60.9° |
| C1 | N21 | C19 | H192 | 81.2° | 58.9° |
| H11 | C1 | C9 | C10 | 113.3° | 60.4° |
| H11 | C1 | C9 | C13 | 109.6° | 179.9° |
| H11 | C1 | C9 | H9 | 1.1° | 59.8° |
| H11 | C1 | N21 | C16 | 41.9° | 35.3° |
| H11 | C1 | N21 | C19 | 176.0° | 149.8° |
| H12A | C1 | C9 | C10 | 14.6° | 59.6° |
| H12A | C1 | C9 | C13 | 122.5° | 59.8° |
| H12A | C1 | C9 | H9 | 129.0° | 179.8° |
| H12A | C1 | N21 | C16 | 86.1° | 84.7° |
| H12A | C1 | N21 | C19 | 56.0° | 29.9° |
| C5 | C2 | N11 | H2 | 180.0° | 179.9° |
| C2 | C5 | C4 | N3 | 180.0° | 180.0° |
| C2 | C5 | C4 | H5 | 180.0° | 179.9° |
| C2 | C5 | C4 | C7 | 0.0° | 0.3° |
| C5 | C2 | N11 | C12 | 0.0° | 0.1° |
| N11 | C2 | C5 | C4 | 0.0° | 0.1° |
| N11 | C2 | C5 | H5 | 180.0° | 180.0° |
| C2 | N11 | C12 | C7 | 0.1° | 0.3° |
| C2 | N11 | C12 | H12 | 179.9° | 180.0° |
| H2 | C2 | C5 | C4 | 180.0° | 180.0° |
| H2 | C2 | C5 | H5 | 0.0° | 0.1° |
| H2 | C2 | N11 | C12 | 180.0° | 180.0° |
| C4 | N3 | C6 | C8 | 180.0° | 114.1° |
| N3 | C4 | C5 | C7 | 180.0° | 179.7° |
| N3 | C4 | C5 | H5 | 0.0° | 0.1° |
| C4 | N3 | C6 | C10 | 144.6° | 179.7° |
| C4 | N3 | C6 | H61 | 98.5° | 59.6° |
| C4 | N3 | C6 | H62 | 24.6° | 60.2° |
| N3 | C4 | C7 | C12 | 180.0° | 179.7° |
| N3 | C4 | C7 | H7 | 0.1° | 0.2° |
| C4 | N3 | C8 | C13 | 146.9° | 179.7° |
| C4 | N3 | C8 | H81 | 30.7° | 59.7° |
| C4 | N3 | C8 | H82 | 93.1° | 60.2° |
| C6 | N3 | C4 | C5 | 179.9° | 180.0° |
| C6 | N3 | C4 | C7 | 0.0° | 0.3° |
| N3 | C6 | C10 | H61 | 117.0° | 120.1° |
| N3 | C6 | C10 | H62 | 120.0° | 120.1° |
| N3 | C6 | H61 | H62 | 118.1° | 119.9° |
| C6 | N3 | C8 | C13 | 33.1° | 65.7° |
| C6 | N3 | C8 | H81 | 149.3° | 54.4° |
| C6 | N3 | C8 | H82 | 86.9° | 174.3° |
| N3 | C6 | C10 | C9 | 46.7° | 61.4° |
| N3 | C6 | C10 | H101 | 165.6° | 178.7° |
| N3 | C6 | C10 | H102 | 73.3° | 58.6° |
| C8 | N3 | C4 | C5 | 0.1° | 65.5° |
| C8 | N3 | C4 | C7 | 179.9° | 114.2° |
| C8 | N3 | C6 | C10 | 35.5° | 65.7° |
| C8 | N3 | C6 | H61 | 81.5° | 54.4° |
| C8 | N3 | C6 | H62 | 155.5° | 174.3° |
| N3 | C8 | C13 | H81 | 116.3° | 120.1° |
| N3 | C8 | C13 | H82 | 120.0° | 120.1° |
| N3 | C8 | H81 | H82 | 117.8° | 119.9° |
| N3 | C8 | C13 | C9 | 41.9° | 61.4° |
| N3 | C8 | C13 | H131 | 76.7° | 58.5° |
| N3 | C8 | C13 | H132 | 161.9° | 178.7° |
| C5 | C4 | C7 | C12 | 0.1° | 0.6° |
| C5 | C4 | C7 | H7 | 179.9° | 180.0° |
| C7 | C4 | C5 | H5 | 180.0° | 179.8° |
| C4 | C7 | C12 | H7 | 180.0° | 179.5° |
| C4 | C7 | C12 | N11 | 0.1° | 0.6° |
| C4 | C7 | C12 | H12 | 179.9° | 179.8° |
| C10 | C6 | H61 | H62 | 118.1° | 119.9° |
| C6 | C10 | C9 | H101 | 118.9° | 119.9° |
| C6 | C10 | C9 | H102 | 120.0° | 119.9° |
| C6 | C10 | C9 | C13 | 54.9° | 55.6° |
| C6 | C10 | C9 | H9 | 57.0° | 64.4° |
| C6 | C10 | H101 | H102 | 119.3° | 120.1° |
| H61 | C6 | C10 | C9 | 70.3° | 58.7° |
| H61 | C6 | C10 | H101 | 48.6° | 61.2° |
| H61 | C6 | C10 | H102 | 169.7° | 178.7° |
| H62 | C6 | C10 | C9 | 166.7° | 178.5° |
| H62 | C6 | C10 | H101 | 74.4° | 58.6° |
| H62 | C6 | C10 | H102 | 46.7° | 61.5° |
| C7 | C12 | N11 | H12 | 180.0° | 179.6° |
| H7 | C7 | C12 | N11 | 179.9° | 179.9° |
| H7 | C7 | C12 | H12 | 0.2° | 0.3° |
| C13 | C8 | H81 | H82 | 117.7° | 119.8° |
| C8 | C13 | C9 | C10 | 52.3° | 55.6° |
| C8 | C13 | C9 | H131 | 118.6° | 119.9° |
| C8 | C13 | C9 | H132 | 120.0° | 119.9° |
| C8 | C13 | C9 | H9 | 63.6° | 64.3° |
| C8 | C13 | H131 | H132 | 119.1° | 120.1° |
| H81 | C8 | C13 | C9 | 158.1° | 58.7° |
| H81 | C8 | C13 | H131 | 39.5° | 178.6° |
| H81 | C8 | C13 | H132 | 81.9° | 61.2° |
| H82 | C8 | C13 | C9 | 78.1° | 178.5° |
| H82 | C8 | C13 | H131 | 163.3° | 61.6° |
| H82 | C8 | C13 | H132 | 41.8° | 58.6° |
| C10 | C9 | C13 | H9 | 115.9° | 119.9° |
| C9 | C10 | H101 | H102 | 119.3° | 120.2° |
| C10 | C9 | C13 | H131 | 66.3° | 64.3° |
| C10 | C9 | C13 | H132 | 172.3° | 175.5° |
| C13 | C9 | C10 | H101 | 173.8° | 175.5° |
| C13 | C9 | C10 | H102 | 65.1° | 64.3° |
| C9 | C13 | H131 | H132 | 119.1° | 120.2° |
| H9 | C9 | C10 | H101 | 61.9° | 55.5° |
| H9 | C9 | C10 | H102 | 177.0° | 175.7° |
| H9 | C9 | C13 | H131 | 177.8° | 175.8° |
| H9 | C9 | C13 | H132 | 56.5° | 55.6° |
| O15 | S14 | N18 | O22 | 116.3° | 134.8° |
| O15 | S14 | N18 | C24 | 120.6° | 112.6° |
| O15 | S14 | O22 | C24 | 115.9° | 123.1° |
| O15 | S14 | N18 | C17 | 2.7° | 157.4° |
| O15 | S14 | N18 | C20 | 145.6° | 22.5° |
| O15 | S14 | C24 | C23 | 23.1° | 157.2° |
| O15 | S14 | C24 | C27 | 156.8° | 22.6° |
| N18 | S14 | O22 | C24 | 125.8° | 113.8° |
| S14 | N18 | C17 | C16 | 178.6° | 131.0° |
| S14 | N18 | C17 | C20 | 143.7° | 180.0° |
| S14 | N18 | C17 | H171 | 64.2° | 11.3° |
| S14 | N18 | C17 | H172 | 58.6° | 109.2° |
| S14 | N18 | C20 | C19 | 179.0° | 131.0° |
| S14 | N18 | C20 | H201 | 63.3° | 11.2° |
| S14 | N18 | C20 | H202 | 59.0° | 109.2° |
| N18 | S14 | C24 | C23 | 99.5° | 90.3° |
| N18 | S14 | C24 | C27 | 80.6° | 90.0° |
| O22 | S14 | N18 | C17 | 119.0° | 22.6° |
| O22 | S14 | N18 | C20 | 98.1° | 157.3° |
| O22 | S14 | C24 | C23 | 139.5° | 22.4° |
| O22 | S14 | C24 | C27 | 40.4° | 157.4° |
| C24 | S14 | N18 | C17 | 117.9° | 90.0° |
| C24 | S14 | N18 | C20 | 25.1° | 90.1° |
| S14 | C24 | C23 | C27 | 179.9° | 179.8° |
| S14 | C24 | C23 | C28 | 179.8° | 179.8° |
| S14 | C24 | C23 | H23 | 0.2° | 0.0° |
| S14 | C24 | C27 | C26 | 179.9° | 180.0° |
| S14 | C24 | C27 | H27 | 0.1° | 0.0° |
| C17 | C16 | N21 | C34 | 132.4° | 120.1° |
| C17 | C16 | N21 | H16 | 117.5° | 120.1° |
| C17 | C16 | C34 | H16 | 117.9° | 120.0° |
| C16 | C17 | N18 | H171 | 117.3° | 119.7° |
| C16 | C17 | N18 | H172 | 120.0° | 119.8° |
| C16 | C17 | H171 | H172 | 118.3° | 120.6° |
| C16 | C17 | N18 | C20 | 37.7° | 49.0° |
| C17 | C16 | N21 | C19 | 54.6° | 66.9° |
| C17 | C16 | C34 | O35 | 14.1° | 84.3° |
| C17 | C16 | C34 | O38 | 145.3° | 95.6° |
| N21 | C16 | C34 | H16 | 109.1° | 119.9° |
| N21 | C16 | C17 | N18 | 44.3° | 56.0° |
| N21 | C16 | C17 | H171 | 73.0° | 175.7° |
| N21 | C16 | C17 | H172 | 164.3° | 63.7° |
| C16 | N21 | C19 | C20 | 56.1° | 66.8° |
| C16 | N21 | C19 | H191 | 175.7° | 53.2° |
| C16 | N21 | C19 | H192 | 63.9° | 173.0° |
| N21 | C16 | C34 | O35 | 118.9° | 155.6° |
| N21 | C16 | C34 | O38 | 81.7° | 24.5° |
| C34 | C16 | C17 | N18 | 179.4° | 176.1° |
| C34 | C16 | C17 | H171 | 63.4° | 64.3° |
| C34 | C16 | C17 | H172 | 59.4° | 56.3° |
| C34 | C16 | N21 | C19 | 172.9° | 173.0° |
| C16 | C34 | O35 | O38 | 158.0° | 179.9° |
| C16 | C34 | O35 | C36 | 119.5° | 180.0° |
| H16 | C16 | C17 | N18 | 66.9° | 64.0° |
| H16 | C16 | C17 | H171 | 175.9° | 55.6° |
| H16 | C16 | C17 | H172 | 53.1° | 176.2° |
| H16 | C16 | N21 | C19 | 62.9° | 53.1° |
| H16 | C16 | C34 | O35 | 132.1° | 35.7° |
| H16 | C16 | C34 | O38 | 27.4° | 144.4° |
| N18 | C17 | H171 | H172 | 118.3° | 120.5° |
| C17 | N18 | C20 | C19 | 39.8° | 49.0° |
| C17 | N18 | C20 | H201 | 78.0° | 168.8° |
| C17 | N18 | C20 | H202 | 159.8° | 70.8° |
| H171 | C17 | N18 | C20 | 79.5° | 168.7° |
| H172 | C17 | N18 | C20 | 157.7° | 70.8° |
| N18 | C20 | C19 | H201 | 117.8° | 119.7° |
| N18 | C20 | C19 | H202 | 120.0° | 119.8° |
| N18 | C20 | C19 | N21 | 48.3° | 56.0° |
| N18 | C20 | C19 | H191 | 168.0° | 64.0° |
| N18 | C20 | C19 | H192 | 71.7° | 176.0° |
| N18 | C20 | H201 | H202 | 118.6° | 120.4° |
| C20 | C19 | N21 | H191 | 119.6° | 120.0° |
| C20 | C19 | N21 | H192 | 120.0° | 120.1° |
| C20 | C19 | H191 | H192 | 119.7° | 120.1° |
| C19 | C20 | H201 | H202 | 118.6° | 120.5° |
| N21 | C19 | H191 | H192 | 119.8° | 119.9° |
| N21 | C19 | C20 | H201 | 69.5° | 175.7° |
| N21 | C19 | C20 | H202 | 168.4° | 63.8° |
| H191 | C19 | C20 | H201 | 50.2° | 55.7° |
| H191 | C19 | C20 | H202 | 72.0° | 176.2° |
| H192 | C19 | C20 | H201 | 170.5° | 64.2° |
| H192 | C19 | C20 | H202 | 48.3° | 56.3° |
| C24 | C23 | C28 | H23 | 180.0° | 179.8° |
| C24 | C23 | C28 | C25 | 0.1° | 0.4° |
| C23 | C24 | C27 | C26 | 0.0° | 0.2° |
| C23 | C24 | C27 | H27 | 180.0° | 179.7° |
| C24 | C23 | C28 | C30 | 179.8° | 179.8° |
| C28 | C23 | C24 | C27 | 0.1° | 0.4° |
| C23 | C28 | C25 | C26 | 0.1° | 0.1° |
| C23 | C28 | C25 | C30 | 180.0° | 179.9° |
| C23 | C28 | C25 | C31 | 180.0° | 179.7° |
| C23 | C28 | C30 | C32 | 179.9° | 179.8° |
| C23 | C28 | C30 | H30 | 0.0° | 0.2° |
| H23 | C23 | C24 | C27 | 179.9° | 179.7° |
| H23 | C23 | C28 | C25 | 179.9° | 179.8° |
| H23 | C23 | C28 | C30 | 0.2° | 0.0° |
| C24 | C27 | C26 | C25 | 0.0° | 0.0° |
| C24 | C27 | C26 | H27 | 180.0° | 180.0° |
| C24 | C27 | C26 | H26 | 180.0° | 180.0° |
| C26 | C25 | C28 | C31 | 179.9° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | H27 | 180.0° | 180.0° |
| C26 | C25 | C28 | C30 | 179.8° | 180.0° |
| C26 | C25 | C31 | C33 | 179.8° | 180.0° |
| C26 | C25 | C31 | H31 | 0.2° | 0.1° |
| C28 | C25 | C26 | C27 | 0.1° | 0.1° |
| C28 | C25 | C26 | H26 | 179.9° | 180.0° |
| C25 | C28 | C30 | C32 | 0.0° | 0.1° |
| C25 | C28 | C30 | H30 | 180.0° | 179.9° |
| C28 | C25 | C31 | C33 | 0.0° | 0.1° |
| C28 | C25 | C31 | H31 | 180.0° | 179.9° |
| C31 | C25 | C26 | C27 | 179.9° | 180.0° |
| C31 | C25 | C26 | H26 | 0.0° | 0.1° |
| C31 | C25 | C28 | C30 | 0.0° | 0.1° |
| C25 | C31 | C33 | CL29 | 180.0° | 180.0° |
| C25 | C31 | C33 | H31 | 180.0° | 179.9° |
| C25 | C31 | C33 | C32 | 0.0° | 0.0° |
| H26 | C26 | C27 | H27 | 0.0° | 0.1° |
| C28 | C30 | C32 | H30 | 180.0° | 180.0° |
| C28 | C30 | C32 | C33 | 0.1° | 0.0° |
| C28 | C30 | C32 | H32 | 179.9° | 180.0° |
| CL29 | C33 | C32 | C30 | 179.9° | 180.0° |
| CL29 | C33 | C31 | C32 | 180.0° | 180.0° |
| CL29 | C33 | C31 | H31 | 0.0° | 0.0° |
| CL29 | C33 | C32 | H32 | 0.1° | 0.0° |
| C30 | C32 | C33 | C31 | 0.1° | 0.0° |
| C30 | C32 | C33 | H32 | 180.0° | 180.0° |
| H30 | C30 | C32 | C33 | 179.9° | 180.0° |
| H30 | C30 | C32 | H32 | 0.1° | 0.0° |
| C31 | C33 | C32 | H32 | 179.9° | 180.0° |
| H31 | C31 | C33 | C32 | 180.0° | 180.0° |
| C34 | O35 | C36 | C37 | 101.8° | 180.0° |
| C34 | O35 | C36 | H361 | 15.5° | 60.0° |
| C34 | O35 | C36 | H362 | 138.2° | 60.0° |
| O38 | C34 | O35 | C36 | 38.5° | 0.0° |
| O35 | C36 | C37 | H361 | 117.3° | 120.0° |
| O35 | C36 | C37 | H362 | 120.0° | 120.1° |
| O35 | C36 | H361 | H362 | 118.4° | 120.1° |
| O35 | C36 | C37 | H371 | 98.5° | 180.0° |
| O35 | C36 | C37 | H372 | 141.4° | 59.9° |
| O35 | C36 | C37 | H373 | 21.4° | 60.0° |
| C37 | C36 | H361 | H362 | 118.3° | 120.0° |
| C36 | C37 | H371 | H372 | 120.0° | 120.1° |
| C36 | C37 | H371 | H373 | 120.0° | 120.0° |
| C36 | C37 | H372 | H373 | 120.0° | 120.0° |
| H361 | C36 | C37 | H371 | 18.8° | 60.0° |
| H361 | C36 | C37 | H372 | 101.2° | 60.0° |
| H361 | C36 | C37 | H373 | 138.7° | 180.0° |
| H362 | C36 | C37 | H371 | 141.5° | 59.9° |
| H362 | C36 | C37 | H372 | 21.4° | 180.0° |
| H362 | C36 | C37 | H373 | 98.6° | 60.0° |
| H371 | C37 | H372 | H373 | 119.9° | 120.0° |
