VMD
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C31 | C29 | sing | 1.53Å | 1.64Å | |
| C30 | C29 | sing | 1.53Å | 1.51Å | |
| O32 | C29 | sing | 1.44Å | 1.42Å | |
| O32 | C26 | sing | 1.45Å | 1.43Å | |
| C29 | O28 | sing | 1.44Å | 1.43Å | |
| C26 | C25 | sing | 1.53Å | 1.13Å | |
| C26 | C27 | sing | 1.54Å | 1.53Å | |
| O28 | C27 | sing | 1.44Å | 1.43Å | |
| C27 | C2 | sing | 1.53Å | 1.52Å | |
| C5 | N4 | sing | 1.47Å | 1.50Å | |
| C5 | C6 | sing | 1.53Å | 1.01Å | |
| N4 | C3 | sing | 1.47Å | 1.50Å | |
| N23 | N24 | doub | 1.29Å | 1.31Å | Aromatic |
| N23 | C10 | sing | 1.34Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | O1 | sing | 1.43Å | 1.43Å | |
| C11 | C10 | sing | 1.51Å | 1.49Å | |
| C11 | N12 | sing | 1.47Å | 1.42Å | |
| N24 | N8 | sing | 1.29Å | 1.34Å | Aromatic |
| C6 | C7 | sing | 1.53Å | 1.52Å | |
| C10 | C9 | doub | 1.35Å | 1.37Å | Aromatic |
| N12 | C13 | sing | 1.40Å | 1.38Å | |
| N8 | C9 | sing | 1.35Å | 1.34Å | Aromatic |
| N8 | C7 | sing | 1.46Å | 1.46Å | |
| C13 | C14 | doub | 1.39Å | 1.39Å | Aromatic |
| C13 | C22 | sing | 1.39Å | 1.38Å | Aromatic |
| C14 | C15 | sing | 1.38Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.38Å | 1.38Å | Aromatic |
| C15 | C16 | doub | 1.38Å | 1.39Å | Aromatic |
| C21 | C16 | sing | 1.38Å | 1.39Å | Aromatic |
| C16 | S17 | sing | 1.76Å | 1.77Å | |
| N19 | S17 | sing | 1.66Å | 1.57Å | |
| O18 | S17 | doub | 1.42Å | 1.44Å | |
| S17 | O20 | doub | 1.42Å | 1.45Å | |
| O1 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.08Å | 1.08Å | |
| C15 | H3 | sing | 1.08Å | 1.08Å | |
| C21 | H4 | sing | 1.08Å | 1.08Å | |
| C22 | H5 | sing | 1.08Å | 1.08Å | |
| C7 | H6 | sing | 1.09Å | 1.10Å | |
| C7 | H7 | sing | 1.09Å | 1.10Å | |
| C9 | H8 | sing | 1.08Å | 1.08Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| N4 | H11 | sing | 1.01Å | 1.00Å | |
| C2 | H13 | sing | 1.09Å | 1.10Å | |
| C3 | H14 | sing | 1.09Å | 1.10Å | |
| C3 | H15 | sing | 1.09Å | 1.10Å | |
| C5 | H16 | sing | 1.09Å | 1.10Å | |
| C5 | H17 | sing | 1.09Å | 1.10Å | |
| C6 | H18 | sing | 1.09Å | 1.10Å | |
| C6 | H19 | sing | 1.09Å | 1.10Å | |
| N12 | H20 | sing | 0.97Å | 1.00Å | |
| N19 | H21 | sing | 0.97Å | 1.00Å | |
| N19 | H22 | sing | 0.97Å | 1.00Å | |
| C25 | H23 | sing | 1.09Å | 1.10Å | |
| C25 | H24 | sing | 1.09Å | 1.10Å | |
| C25 | H25 | sing | 1.09Å | 1.10Å | |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C30 | H28 | sing | 1.09Å | 1.10Å | |
| C30 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å | |
| C31 | H31 | sing | 1.09Å | 1.10Å | |
| C31 | H32 | sing | 1.09Å | 1.10Å | |
| C31 | H33 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C31 | C29 | C30 | 102.5° | 110.1° |
| C31 | C29 | O32 | 106.9° | 110.2° |
| C31 | C29 | O28 | 123.4° | 110.1° |
| C29 | C31 | H31 | 109.5° | 109.5° |
| C29 | C31 | H32 | 109.4° | 109.5° |
| C29 | C31 | H33 | 109.5° | 109.5° |
| C30 | C29 | O32 | 109.5° | 110.1° |
| C30 | C29 | O28 | 109.5° | 110.1° |
| C29 | C30 | H28 | 109.5° | 109.5° |
| C29 | C30 | H29 | 109.5° | 109.5° |
| C29 | C30 | H30 | 109.4° | 109.5° |
| C29 | O32 | C26 | 107.7° | 103.2° |
| O32 | C29 | O28 | 104.6° | 106.1° |
| O32 | C26 | C25 | 98.6° | 110.7° |
| O32 | C26 | C27 | 104.8° | 102.9° |
| O32 | C26 | H26 | 104.7° | 110.9° |
| C29 | O28 | C27 | 107.7° | 107.1° |
| C25 | C26 | C27 | 133.2° | 110.7° |
| C26 | C25 | H23 | 109.5° | 109.4° |
| C26 | C25 | H24 | 109.5° | 109.4° |
| C26 | C25 | H25 | 109.5° | 109.5° |
| C25 | C26 | H26 | 108.7° | 110.6° |
| C26 | C27 | O28 | 104.6° | 105.1° |
| C26 | C27 | C2 | 113.6° | 110.3° |
| C27 | C26 | H26 | 103.8° | 110.7° |
| C26 | C27 | H27 | 108.7° | 110.3° |
| O28 | C27 | C2 | 111.0° | 110.4° |
| O28 | C27 | H27 | 110.1° | 110.4° |
| C27 | C2 | C3 | 111.0° | 109.4° |
| C27 | C2 | O1 | 109.9° | 109.5° |
| C27 | C2 | H13 | 108.4° | 109.5° |
| C2 | C27 | H27 | 108.9° | 110.3° |
| N4 | C5 | C6 | 128.6° | 109.5° |
| C5 | N4 | C3 | 111.2° | 111.0° |
| C5 | N4 | H11 | 109.1° | 111.1° |
| N4 | C5 | H16 | 104.5° | 109.5° |
| N4 | C5 | H17 | 104.5° | 109.5° |
| C5 | C6 | C7 | 122.4° | 109.5° |
| C6 | C5 | H16 | 104.5° | 109.4° |
| C6 | C5 | H17 | 104.5° | 109.5° |
| C5 | C6 | H18 | 106.2° | 109.5° |
| C5 | C6 | H19 | 106.2° | 109.4° |
| N4 | C3 | C2 | 111.8° | 109.5° |
| C3 | N4 | H11 | 109.0° | 111.0° |
| N4 | C3 | H14 | 108.9° | 109.4° |
| N4 | C3 | H15 | 108.9° | 109.5° |
| N24 | N23 | C10 | 109.2° | 108.9° |
| N23 | N24 | N8 | 107.0° | 110.2° |
| N23 | C10 | C11 | 121.8° | 126.8° |
| N23 | C10 | C9 | 108.1° | 106.5° |
| C3 | C2 | O1 | 109.5° | 109.5° |
| C3 | C2 | H13 | 108.3° | 109.5° |
| C2 | C3 | H14 | 108.9° | 109.5° |
| C2 | C3 | H15 | 108.9° | 109.5° |
| C2 | O1 | H1 | 109.5° | 114.1° |
| O1 | C2 | H13 | 109.6° | 109.5° |
| C10 | C11 | N12 | 111.9° | 109.5° |
| C11 | C10 | C9 | 130.0° | 126.7° |
| C10 | C11 | H9 | 108.9° | 109.5° |
| C10 | C11 | H10 | 108.8° | 109.5° |
| C11 | N12 | C13 | 121.4° | 120.0° |
| N12 | C11 | H9 | 108.8° | 109.4° |
| N12 | C11 | H10 | 108.9° | 109.5° |
| C11 | N12 | H20 | 106.4° | 120.0° |
| N24 | N8 | C9 | 110.9° | 108.3° |
| N24 | N8 | C7 | 120.0° | 125.9° |
| C6 | C7 | N8 | 110.0° | 109.5° |
| C6 | C7 | H6 | 109.3° | 109.4° |
| C6 | C7 | H7 | 109.3° | 109.5° |
| C7 | C6 | H18 | 106.2° | 109.5° |
| C7 | C6 | H19 | 106.2° | 109.5° |
| C10 | C9 | N8 | 104.9° | 106.1° |
| C10 | C9 | H8 | 127.6° | 126.9° |
| N12 | C13 | C14 | 119.5° | 120.1° |
| N12 | C13 | C22 | 121.1° | 120.1° |
| C13 | N12 | H20 | 106.4° | 120.0° |
| C9 | N8 | C7 | 128.6° | 125.8° |
| N8 | C9 | H8 | 127.5° | 126.9° |
| N8 | C7 | H6 | 109.4° | 109.5° |
| N8 | C7 | H7 | 109.4° | 109.5° |
| C14 | C13 | C22 | 119.3° | 119.8° |
| C13 | C14 | C15 | 121.0° | 119.9° |
| C13 | C14 | H2 | 119.5° | 120.0° |
| C13 | C22 | C21 | 120.3° | 120.0° |
| C13 | C22 | H5 | 119.9° | 120.0° |
| C14 | C15 | C16 | 119.3° | 120.1° |
| C15 | C14 | H2 | 119.5° | 120.1° |
| C14 | C15 | H3 | 120.3° | 120.0° |
| C22 | C21 | C16 | 119.9° | 120.1° |
| C22 | C21 | H4 | 120.0° | 119.9° |
| C21 | C22 | H5 | 119.8° | 120.1° |
| C15 | C16 | C21 | 120.1° | 120.1° |
| C15 | C16 | S17 | 120.3° | 119.9° |
| C16 | C15 | H3 | 120.3° | 119.9° |
| C21 | C16 | S17 | 119.6° | 119.9° |
| C16 | C21 | H4 | 120.0° | 120.0° |
| C16 | S17 | N19 | 108.1° | 107.2° |
| C16 | S17 | O18 | 106.1° | 106.4° |
| C16 | S17 | O20 | 105.8° | 106.4° |
| N19 | S17 | O18 | 107.9° | 106.4° |
| N19 | S17 | O20 | 111.1° | 106.4° |
| S17 | N19 | H21 | 109.5° | 120.1° |
| S17 | N19 | H22 | 109.5° | 120.0° |
| O18 | S17 | O20 | 117.5° | 123.2° |
| H6 | C7 | H7 | 109.4° | 109.4° |
| H9 | C11 | H10 | 109.5° | 109.5° |
| H14 | C3 | H15 | 109.4° | 109.5° |
| H16 | C5 | H17 | 109.5° | 109.4° |
| H18 | C6 | H19 | 109.4° | 109.4° |
| H21 | N19 | H22 | 109.5° | 119.9° |
| H23 | C25 | H24 | 109.5° | 109.5° |
| H23 | C25 | H25 | 109.4° | 109.5° |
| H24 | C25 | H25 | 109.5° | 109.5° |
| H28 | C30 | H29 | 109.4° | 109.5° |
| H28 | C30 | H30 | 109.5° | 109.5° |
| H29 | C30 | H30 | 109.5° | 109.4° |
| H31 | C31 | H32 | 109.5° | 109.5° |
| H31 | C31 | H33 | 109.5° | 109.5° |
| H32 | C31 | H33 | 109.5° | 109.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C31 | C29 | C30 | O32 | 113.2° | 121.7° |
| C31 | C29 | C30 | O28 | 132.6° | 121.6° |
| C31 | C29 | O32 | O28 | 132.3° | 119.2° |
| C31 | C29 | O32 | C26 | 163.2° | 158.4° |
| C31 | C29 | O28 | C27 | 154.7° | 144.3° |
| C31 | C29 | C30 | H28 | 180.0° | 178.4° |
| C31 | C29 | C30 | H29 | 60.0° | 58.4° |
| C31 | C29 | C30 | H30 | 60.0° | 61.6° |
| C29 | C31 | H31 | H32 | 120.0° | 120.0° |
| C29 | C31 | H31 | H33 | 120.0° | 120.0° |
| C29 | C31 | H32 | H33 | 120.0° | 120.0° |
| C30 | C29 | O32 | O28 | 117.3° | 119.2° |
| C30 | C29 | O32 | C26 | 86.5° | 80.0° |
| C30 | C29 | O28 | C27 | 84.7° | 94.1° |
| C29 | C30 | H28 | H29 | 120.0° | 120.0° |
| C29 | C30 | H28 | H30 | 120.0° | 120.0° |
| C29 | C30 | H29 | H30 | 120.0° | 120.0° |
| C30 | C29 | C31 | H31 | 180.0° | 61.6° |
| C30 | C29 | C31 | H32 | 60.0° | 58.4° |
| C30 | C29 | C31 | H33 | 60.0° | 178.4° |
| C29 | O32 | C26 | C25 | 156.5° | 155.0° |
| C29 | O32 | C26 | C27 | 17.4° | 36.6° |
| O32 | C29 | O28 | C27 | 32.6° | 25.1° |
| C29 | O32 | C26 | H26 | 91.5° | 81.8° |
| O32 | C29 | C30 | H28 | 66.8° | 56.7° |
| O32 | C29 | C30 | H29 | 53.2° | 63.3° |
| O32 | C29 | C30 | H30 | 173.2° | 176.7° |
| O32 | C29 | C31 | H31 | 64.9° | 176.7° |
| O32 | C29 | C31 | H32 | 175.1° | 63.2° |
| O32 | C29 | C31 | H33 | 55.2° | 56.8° |
| C26 | O32 | C29 | O28 | 30.8° | 39.2° |
| O32 | C26 | C25 | C27 | 119.7° | 113.5° |
| O32 | C26 | C25 | H26 | 108.8° | 123.3° |
| O32 | C26 | C27 | H26 | 109.6° | 118.5° |
| O32 | C26 | C27 | O28 | 2.5° | 21.8° |
| O32 | C26 | C27 | C2 | 123.6° | 97.2° |
| O32 | C26 | C25 | H23 | 180.0° | 53.5° |
| O32 | C26 | C25 | H24 | 60.0° | 66.5° |
| O32 | C26 | C25 | H25 | 60.0° | 173.5° |
| O32 | C26 | C27 | H27 | 115.1° | 140.8° |
| C29 | O28 | C27 | C26 | 21.5° | 1.7° |
| C29 | O28 | C27 | C2 | 144.3° | 120.6° |
| C29 | O28 | C27 | H27 | 95.1° | 117.2° |
| O28 | C29 | C30 | H28 | 47.4° | 60.0° |
| O28 | C29 | C30 | H29 | 167.4° | 180.0° |
| O28 | C29 | C30 | H30 | 72.6° | 60.0° |
| O28 | C29 | C31 | H31 | 56.2° | 60.0° |
| O28 | C29 | C31 | H32 | 63.8° | 180.0° |
| O28 | C29 | C31 | H33 | 176.2° | 60.0° |
| C25 | C26 | C27 | H26 | 133.1° | 123.1° |
| C25 | C26 | C27 | O28 | 114.9° | 140.2° |
| C25 | C26 | C27 | C2 | 6.2° | 21.2° |
| C26 | C25 | H23 | H24 | 120.0° | 119.9° |
| C26 | C25 | H23 | H25 | 120.0° | 120.0° |
| C26 | C25 | H24 | H25 | 120.0° | 120.0° |
| C25 | C26 | C27 | H27 | 127.6° | 100.8° |
| C26 | C27 | O28 | C2 | 122.9° | 118.9° |
| C26 | C27 | O28 | H27 | 116.6° | 118.9° |
| C26 | C27 | C2 | H27 | 121.2° | 122.1° |
| C26 | C27 | C2 | C3 | 50.8° | 175.0° |
| C26 | C27 | C2 | O1 | 172.0° | 55.1° |
| C26 | C27 | C2 | H13 | 68.1° | 65.0° |
| C27 | C26 | C25 | H23 | 60.3° | 60.0° |
| C27 | C26 | C25 | H24 | 59.7° | 180.0° |
| C27 | C26 | C25 | H25 | 179.8° | 60.0° |
| O28 | C27 | C2 | H27 | 121.3° | 122.2° |
| O28 | C27 | C2 | C3 | 168.3° | 59.3° |
| O28 | C27 | C2 | O1 | 70.4° | 60.7° |
| O28 | C27 | C2 | H13 | 49.4° | 179.3° |
| O28 | C27 | C26 | H26 | 112.0° | 96.7° |
| C27 | C2 | C3 | N4 | 49.4° | 175.0° |
| C27 | C2 | C3 | O1 | 121.5° | 120.0° |
| C27 | C2 | C3 | H13 | 119.0° | 120.0° |
| C27 | C2 | O1 | H13 | 119.1° | 120.0° |
| C27 | C2 | O1 | H1 | 180.0° | 59.9° |
| C27 | C2 | C3 | H14 | 169.8° | 65.0° |
| C27 | C2 | C3 | H15 | 71.0° | 55.0° |
| C2 | C27 | C26 | H26 | 126.8° | 144.3° |
| N4 | C5 | C6 | H16 | 122.5° | 120.0° |
| N4 | C5 | C6 | H17 | 122.5° | 120.1° |
| C5 | N4 | C3 | H11 | 120.2° | 124.0° |
| C5 | N4 | C3 | C2 | 122.9° | 180.0° |
| N4 | C5 | C6 | C7 | 89.6° | 180.0° |
| C5 | N4 | C3 | H14 | 116.8° | 60.0° |
| C5 | N4 | C3 | H15 | 2.5° | 60.0° |
| N4 | C5 | H16 | H17 | 111.4° | 120.0° |
| N4 | C5 | C6 | H18 | 32.1° | 59.9° |
| N4 | C5 | C6 | H19 | 148.6° | 60.0° |
| C6 | C5 | N4 | C3 | 77.5° | 180.0° |
| C5 | C6 | C7 | H18 | 121.8° | 120.1° |
| C5 | C6 | C7 | H19 | 121.8° | 120.0° |
| C5 | C6 | C7 | N8 | 88.4° | 180.0° |
| C5 | C6 | C7 | H6 | 31.7° | 60.0° |
| C5 | C6 | C7 | H7 | 151.4° | 59.9° |
| C6 | C5 | N4 | H11 | 162.3° | 56.0° |
| C6 | C5 | H16 | H17 | 111.4° | 120.0° |
| C5 | C6 | H18 | H19 | 114.2° | 120.0° |
| N4 | C3 | C2 | H14 | 120.4° | 120.0° |
| N4 | C3 | C2 | H15 | 120.4° | 120.0° |
| N4 | C3 | C2 | O1 | 170.9° | 65.0° |
| N4 | C3 | C2 | H13 | 69.6° | 55.0° |
| N4 | C3 | H14 | H15 | 118.9° | 120.0° |
| C3 | N4 | C5 | H16 | 160.0° | 60.0° |
| C3 | N4 | C5 | H17 | 45.1° | 60.0° |
| N24 | N23 | C10 | C11 | 177.5° | 179.8° |
| N24 | N23 | C10 | C9 | 0.1° | 0.2° |
| N23 | N24 | N8 | C9 | 0.1° | 0.2° |
| N23 | N24 | N8 | C7 | 172.1° | 179.8° |
| N23 | C10 | C11 | C9 | 176.8° | 180.0° |
| N23 | C10 | C11 | N12 | 179.0° | 85.0° |
| C10 | N23 | N24 | N8 | 0.0° | 0.0° |
| N23 | C10 | C9 | N8 | 0.1° | 0.3° |
| N23 | C10 | C9 | H8 | 179.9° | 180.0° |
| N23 | C10 | C11 | H9 | 60.6° | 35.0° |
| N23 | C10 | C11 | H10 | 58.6° | 155.0° |
| C3 | C2 | O1 | H13 | 118.7° | 120.0° |
| C3 | C2 | O1 | H1 | 57.8° | 60.0° |
| C2 | C3 | N4 | H11 | 2.6° | 56.0° |
| C2 | C3 | H14 | H15 | 118.9° | 120.0° |
| C3 | C2 | C27 | H27 | 70.4° | 62.9° |
| O1 | C2 | C3 | H14 | 68.7° | 54.9° |
| O1 | C2 | C3 | H15 | 50.6° | 175.0° |
| O1 | C2 | C27 | H27 | 50.8° | 177.1° |
| C10 | C11 | N12 | H9 | 120.4° | 119.9° |
| C10 | C11 | N12 | H10 | 120.4° | 120.1° |
| C10 | C11 | N12 | C13 | 142.5° | 180.0° |
| C11 | C10 | C9 | N8 | 177.3° | 179.7° |
| C11 | C10 | C9 | H8 | 2.7° | 0.0° |
| C10 | C11 | H9 | H10 | 118.8° | 120.1° |
| C10 | C11 | N12 | H20 | 20.9° | 0.1° |
| N12 | C11 | C10 | C9 | 2.2° | 95.1° |
| C11 | N12 | C13 | H20 | 121.7° | 180.0° |
| C11 | N12 | C13 | C14 | 161.6° | 179.9° |
| C11 | N12 | C13 | C22 | 21.7° | 0.3° |
| N12 | C11 | H9 | H10 | 118.9° | 120.0° |
| N24 | N8 | C7 | C6 | 76.2° | 55.0° |
| N24 | N8 | C9 | C10 | 0.1° | 0.3° |
| N24 | N8 | C9 | C7 | 171.3° | 180.0° |
| N24 | N8 | C7 | H6 | 43.9° | 175.0° |
| N24 | N8 | C7 | H7 | 163.7° | 65.0° |
| N24 | N8 | C9 | H8 | 179.9° | 180.0° |
| C6 | C7 | N8 | C9 | 94.4° | 125.0° |
| C6 | C7 | N8 | H6 | 120.1° | 120.0° |
| C6 | C7 | N8 | H7 | 120.1° | 120.0° |
| C6 | C7 | H6 | H7 | 119.7° | 120.0° |
| C7 | C6 | C5 | H16 | 147.9° | 60.0° |
| C7 | C6 | C5 | H17 | 32.9° | 60.0° |
| C7 | C6 | H18 | H19 | 114.2° | 120.0° |
| C10 | C9 | N8 | H8 | 180.0° | 179.7° |
| C10 | C9 | N8 | C7 | 171.2° | 179.7° |
| C9 | C10 | C11 | H9 | 122.6° | 145.0° |
| C9 | C10 | C11 | H10 | 118.2° | 25.0° |
| N12 | C13 | C14 | C22 | 176.8° | 179.8° |
| N12 | C13 | C14 | C15 | 176.3° | 179.7° |
| N12 | C13 | C22 | C21 | 176.1° | 179.7° |
| N12 | C13 | C14 | H2 | 3.7° | 0.3° |
| N12 | C13 | C22 | H5 | 3.9° | 0.2° |
| C13 | N12 | C11 | H9 | 97.1° | 60.0° |
| C13 | N12 | C11 | H10 | 22.2° | 60.0° |
| C9 | N8 | C7 | H6 | 145.5° | 5.0° |
| C9 | N8 | C7 | H7 | 25.7° | 115.0° |
| N8 | C7 | H6 | H7 | 119.8° | 120.0° |
| C7 | N8 | C9 | H8 | 8.8° | 0.0° |
| N8 | C7 | C6 | H18 | 149.8° | 60.0° |
| N8 | C7 | C6 | H19 | 33.4° | 60.0° |
| C13 | C14 | C15 | H2 | 180.0° | 180.0° |
| C14 | C13 | C22 | C21 | 0.6° | 0.1° |
| C13 | C14 | C15 | C16 | 0.3° | 0.0° |
| C13 | C14 | C15 | H3 | 179.8° | 180.0° |
| C14 | C13 | C22 | H5 | 179.4° | 180.0° |
| C14 | C13 | N12 | H20 | 76.8° | 0.0° |
| C22 | C13 | C14 | C15 | 0.5° | 0.1° |
| C13 | C22 | C21 | H5 | 180.0° | 179.9° |
| C13 | C22 | C21 | C16 | 0.5° | 0.0° |
| C22 | C13 | C14 | H2 | 179.5° | 179.9° |
| C13 | C22 | C21 | H4 | 179.5° | 180.0° |
| C22 | C13 | N12 | H20 | 99.9° | 179.8° |
| C14 | C15 | C16 | H3 | 180.0° | 180.0° |
| C14 | C15 | C16 | C21 | 0.1° | 0.0° |
| C14 | C15 | C16 | S17 | 179.8° | 180.0° |
| C22 | C21 | C16 | C15 | 0.2° | 0.0° |
| C22 | C21 | C16 | H4 | 180.0° | 180.0° |
| C22 | C21 | C16 | S17 | 179.7° | 180.0° |
| C15 | C16 | C21 | S17 | 179.9° | 179.9° |
| C15 | C16 | S17 | N19 | 129.5° | 90.0° |
| C15 | C16 | S17 | O18 | 14.1° | 23.5° |
| C15 | C16 | S17 | O20 | 111.4° | 156.5° |
| C16 | C15 | C14 | H2 | 179.7° | 180.0° |
| C15 | C16 | C21 | H4 | 179.8° | 180.0° |
| C21 | C16 | S17 | N19 | 50.4° | 90.1° |
| C21 | C16 | S17 | O18 | 165.9° | 156.4° |
| C21 | C16 | S17 | O20 | 68.6° | 23.5° |
| C21 | C16 | C15 | H3 | 179.9° | 180.0° |
| C16 | C21 | C22 | H5 | 179.5° | 179.9° |
| C16 | S17 | N19 | O18 | 114.3° | 113.5° |
| C16 | S17 | N19 | O20 | 115.6° | 113.5° |
| C16 | S17 | O18 | O20 | 118.0° | 122.9° |
| S17 | C16 | C15 | H3 | 0.2° | 0.0° |
| S17 | C16 | C21 | H4 | 0.3° | 0.0° |
| C16 | S17 | N19 | H21 | 180.0° | 0.1° |
| C16 | S17 | N19 | H22 | 60.0° | 180.0° |
| N19 | S17 | O18 | O20 | 126.4° | 123.0° |
| S17 | N19 | H21 | H22 | 120.0° | 179.9° |
| O18 | S17 | N19 | H21 | 65.7° | 113.5° |
| O18 | S17 | N19 | H22 | 54.2° | 66.5° |
| O20 | S17 | N19 | H21 | 64.4° | 113.5° |
| O20 | S17 | N19 | H22 | 175.7° | 66.4° |
| H1 | O1 | C2 | H13 | 60.9° | 180.0° |
| H2 | C14 | C15 | H3 | 0.3° | 0.0° |
| H4 | C21 | C22 | H5 | 0.4° | 0.1° |
| H6 | C7 | C6 | H18 | 90.1° | 60.1° |
| H6 | C7 | C6 | H19 | 153.5° | 180.0° |
| H7 | C7 | C6 | H18 | 29.7° | 180.0° |
| H7 | C7 | C6 | H19 | 86.8° | 60.0° |
| H9 | C11 | N12 | H20 | 141.2° | 120.0° |
| H10 | C11 | N12 | H20 | 99.5° | 120.0° |
| H11 | N4 | C3 | H14 | 123.0° | 176.0° |
| H11 | N4 | C3 | H15 | 117.7° | 64.0° |
| H11 | N4 | C5 | H16 | 39.8° | 63.9° |
| H11 | N4 | C5 | H17 | 75.2° | 176.1° |
| H13 | C2 | C3 | H14 | 50.8° | 175.0° |
| H13 | C2 | C3 | H15 | 170.0° | 65.0° |
| H13 | C2 | C27 | H27 | 170.6° | 57.1° |
| H16 | C5 | C6 | H18 | 90.3° | 60.0° |
| H16 | C5 | C6 | H19 | 26.1° | 180.0° |
| H17 | C5 | C6 | H18 | 154.7° | 180.0° |
| H17 | C5 | C6 | H19 | 88.9° | 60.0° |
| H23 | C25 | H24 | H25 | 120.0° | 120.1° |
| H23 | C25 | C26 | H26 | 71.2° | 176.8° |
| H24 | C25 | C26 | H26 | 168.8° | 56.8° |
| H25 | C25 | C26 | H26 | 48.8° | 63.1° |
| H26 | C26 | C27 | H27 | 5.5° | 22.3° |
| H28 | C30 | H29 | H30 | 120.0° | 120.0° |
| H31 | C31 | H32 | H33 | 120.0° | 120.0° |
