SL1
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N1 | C1 | sing | 1.48Å | 1.47Å | |
| N1 | S | sing | 1.71Å | 1.68Å | |
| N1 | H1 | sing | 1.03Å | 1.02Å | |
| C1 | C2 | sing | 1.52Å | 1.47Å | |
| C1 | N4 | sing | 1.45Å | 1.43Å | |
| C1 | HA | sing | 1.10Å | 1.12Å | |
| C2 | O1 | doub | 1.23Å | 1.23Å | |
| C2 | N2 | sing | 1.40Å | 1.33Å | |
| N2 | C3 | sing | 1.46Å | 1.44Å | |
| N2 | C7 | sing | 1.44Å | 1.38Å | |
| C3 | C4 | sing | 1.51Å | 1.46Å | |
| C3 | H3C1 | sing | 1.09Å | 1.11Å | |
| C3 | H3C2 | sing | 1.09Å | 1.11Å | |
| C4 | O3 | doub | 1.23Å | 1.25Å | |
| C4 | N3 | sing | 1.39Å | 1.33Å | |
| N3 | C5 | sing | 1.44Å | 1.43Å | |
| N3 | H3 | sing | 1.02Å | 1.02Å | |
| C5 | C6 | sing | 1.51Å | 1.45Å | |
| C5 | C20 | sing | 1.53Å | 1.57Å | |
| C5 | H5 | sing | 1.10Å | 1.11Å | |
| C6 | O2 | doub | 1.23Å | 1.24Å | |
| C6 | H6 | sing | 1.10Å | 1.10Å | |
| C7 | C9 | doub | 1.41Å | 1.45Å | Aromatic |
| C7 | C19 | sing | 1.41Å | 1.43Å | Aromatic |
| C9 | C8 | sing | 1.49Å | 1.42Å | |
| C9 | C16 | sing | 1.41Å | 1.43Å | Aromatic |
| C8 | N4 | doub | 1.29Å | 1.32Å | |
| C8 | C10 | sing | 1.46Å | 1.42Å | |
| C10 | C11 | doub | 1.39Å | 1.44Å | Aromatic |
| C10 | C15 | sing | 1.39Å | 1.44Å | Aromatic |
| C11 | C12 | sing | 1.39Å | 1.42Å | Aromatic |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | C13 | doub | 1.40Å | 1.43Å | Aromatic |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C13 | C14 | sing | 1.40Å | 1.43Å | Aromatic |
| C13 | H13 | sing | 1.09Å | 1.10Å | |
| C14 | C15 | doub | 1.39Å | 1.42Å | Aromatic |
| C14 | H14 | sing | 1.09Å | 1.10Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | C17 | doub | 1.39Å | 1.42Å | Aromatic |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C17 | C18 | sing | 1.39Å | 1.42Å | Aromatic |
| C17 | H17 | sing | 1.09Å | 1.10Å | |
| C18 | C19 | doub | 1.40Å | 1.42Å | Aromatic |
| C18 | H18 | sing | 1.09Å | 1.10Å | |
| C19 | H19 | sing | 1.09Å | 1.10Å | |
| C20 | C21 | sing | 1.54Å | 1.55Å | |
| C20 | H201 | sing | 1.10Å | 1.11Å | |
| C20 | H202 | sing | 1.10Å | 1.12Å | |
| C21 | C22 | sing | 1.53Å | 1.55Å | |
| C21 | H211 | sing | 1.10Å | 1.11Å | |
| C21 | H212 | sing | 1.10Å | 1.11Å | |
| C22 | N5 | sing | 1.44Å | 1.45Å | |
| C22 | H221 | sing | 1.09Å | 1.11Å | |
| C22 | H222 | sing | 1.10Å | 1.12Å | |
| N5 | C23 | sing | 1.38Å | 1.35Å | |
| N5 | HB | sing | 1.02Å | 1.02Å | |
| C23 | N6 | sing | 1.37Å | 1.36Å | |
| C23 | N7 | doub | 1.31Å | 1.34Å | |
| N6 | H6N1 | sing | 1.01Å | 1.02Å | |
| N6 | H6N2 | sing | 1.02Å | 1.02Å | |
| N7 | H7 | sing | 1.03Å | 1.02Å | |
| S | O4 | doub | 1.45Å | 1.53Å | |
| S | O5 | doub | 1.45Å | 1.50Å | |
| S | C24 | sing | 1.78Å | 1.76Å | |
| C24 | C25 | sing | 1.50Å | 1.48Å | |
| C24 | H241 | sing | 1.09Å | 1.11Å | |
| C24 | H242 | sing | 1.09Å | 1.12Å | |
| C25 | C26 | doub | 1.39Å | 1.43Å | Aromatic |
| C25 | C30 | sing | 1.39Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.39Å | 1.43Å | Aromatic |
| C26 | H26 | sing | 1.09Å | 1.10Å | |
| C27 | C28 | doub | 1.40Å | 1.42Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.10Å | |
| C28 | C29 | sing | 1.39Å | 1.43Å | Aromatic |
| C28 | H28 | sing | 1.09Å | 1.10Å | |
| C29 | C30 | doub | 1.39Å | 1.42Å | Aromatic |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C30 | H30 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C1 | N1 | S | 112.1° | 119.1° |
| C1 | N1 | H1 | 124.0° | 113.7° |
| N1 | C1 | C2 | 109.3° | 107.9° |
| N1 | C1 | N4 | 112.8° | 109.8° |
| N1 | C1 | HA | 109.4° | 106.9° |
| S | N1 | H1 | 123.9° | 117.1° |
| N1 | S | O4 | 105.6° | 109.9° |
| N1 | S | O5 | 107.0° | 108.3° |
| N1 | S | C24 | 120.5° | 100.6° |
| C2 | C1 | N4 | 106.5° | 106.3° |
| C2 | C1 | HA | 109.4° | 112.0° |
| C1 | C2 | O1 | 117.1° | 120.9° |
| C1 | C2 | N2 | 122.6° | 115.5° |
| N4 | C1 | HA | 109.4° | 113.8° |
| C1 | N4 | C8 | 127.4° | 117.7° |
| O1 | C2 | N2 | 120.3° | 123.5° |
| C2 | N2 | C3 | 119.8° | 117.9° |
| C2 | N2 | C7 | 120.9° | 124.1° |
| C3 | N2 | C7 | 119.3° | 117.9° |
| N2 | C3 | C4 | 112.6° | 109.6° |
| N2 | C3 | H3C1 | 111.0° | 109.2° |
| N2 | C3 | H3C2 | 111.0° | 109.2° |
| N2 | C7 | C9 | 122.3° | 123.1° |
| N2 | C7 | C19 | 117.7° | 119.4° |
| C4 | C3 | H3C1 | 111.1° | 109.6° |
| C4 | C3 | H3C2 | 111.0° | 109.9° |
| C3 | C4 | O3 | 115.8° | 123.4° |
| C3 | C4 | N3 | 120.9° | 111.4° |
| H3C1 | C3 | H3C2 | 99.3° | 109.3° |
| O3 | C4 | N3 | 123.3° | 125.2° |
| C4 | N3 | C5 | 117.7° | 123.3° |
| C4 | N3 | H3 | 121.1° | 118.3° |
| C5 | N3 | H3 | 121.2° | 118.4° |
| N3 | C5 | C6 | 114.9° | 107.8° |
| N3 | C5 | C20 | 116.1° | 112.6° |
| N3 | C5 | H5 | 107.0° | 105.8° |
| C6 | C5 | C20 | 104.5° | 113.5° |
| C6 | C5 | H5 | 106.9° | 106.8° |
| C5 | C6 | O2 | 120.8° | 123.4° |
| C5 | C6 | H6 | 127.3° | 116.6° |
| C20 | C5 | H5 | 106.9° | 109.9° |
| C5 | C20 | C21 | 107.0° | 114.0° |
| C5 | C20 | H201 | 113.1° | 108.5° |
| C5 | C20 | H202 | 113.1° | 109.2° |
| O2 | C6 | H6 | 111.9° | 119.8° |
| C9 | C7 | C19 | 120.1° | 117.5° |
| C7 | C9 | C8 | 124.1° | 122.5° |
| C7 | C9 | C16 | 116.9° | 120.5° |
| C7 | C19 | C18 | 121.1° | 121.6° |
| C7 | C19 | H19 | 119.5° | 121.3° |
| C8 | C9 | C16 | 119.0° | 116.9° |
| C9 | C8 | N4 | 117.1° | 123.9° |
| C9 | C8 | C10 | 121.9° | 118.2° |
| C9 | C16 | C17 | 122.8° | 120.6° |
| C9 | C16 | H16 | 118.6° | 121.1° |
| N4 | C8 | C10 | 121.1° | 117.8° |
| C8 | C10 | C11 | 123.0° | 119.6° |
| C8 | C10 | C15 | 122.1° | 119.7° |
| C11 | C10 | C15 | 114.9° | 120.7° |
| C10 | C11 | C12 | 123.2° | 119.6° |
| C10 | C11 | H11 | 118.4° | 121.0° |
| C10 | C15 | C14 | 124.1° | 119.7° |
| C10 | C15 | H15 | 118.0° | 121.0° |
| C12 | C11 | H11 | 118.4° | 119.4° |
| C11 | C12 | C13 | 119.2° | 120.0° |
| C11 | C12 | H12 | 120.4° | 120.0° |
| C13 | C12 | H12 | 120.4° | 120.0° |
| C12 | C13 | C14 | 120.3° | 120.0° |
| C12 | C13 | H13 | 119.8° | 120.0° |
| C14 | C13 | H13 | 119.9° | 120.0° |
| C13 | C14 | C15 | 118.2° | 120.0° |
| C13 | C14 | H14 | 120.9° | 120.0° |
| C15 | C14 | H14 | 120.9° | 120.0° |
| C14 | C15 | H15 | 117.9° | 119.4° |
| C17 | C16 | H16 | 118.6° | 118.4° |
| C16 | C17 | C18 | 119.3° | 119.7° |
| C16 | C17 | H17 | 120.3° | 120.1° |
| C18 | C17 | H17 | 120.3° | 120.2° |
| C17 | C18 | C19 | 119.6° | 120.1° |
| C17 | C18 | H18 | 120.2° | 120.1° |
| C19 | C18 | H18 | 120.2° | 119.8° |
| C18 | C19 | H19 | 119.4° | 117.1° |
| C21 | C20 | H201 | 113.1° | 109.1° |
| C21 | C20 | H202 | 113.1° | 108.9° |
| C20 | C21 | C22 | 114.0° | 112.5° |
| C20 | C21 | H211 | 110.6° | 110.0° |
| C20 | C21 | H212 | 110.6° | 109.5° |
| H201 | C20 | H202 | 97.3° | 106.8° |
| C22 | C21 | H211 | 110.5° | 109.5° |
| C22 | C21 | H212 | 110.6° | 108.2° |
| C21 | C22 | N5 | 107.9° | 110.8° |
| C21 | C22 | H221 | 112.8° | 110.8° |
| C21 | C22 | H222 | 112.8° | 109.4° |
| H211 | C21 | H212 | 99.7° | 107.1° |
| N5 | C22 | H221 | 112.8° | 109.7° |
| N5 | C22 | H222 | 112.8° | 108.6° |
| C22 | N5 | C23 | 121.2° | 127.0° |
| C22 | N5 | HB | 119.4° | 115.7° |
| H221 | C22 | H222 | 97.6° | 107.5° |
| C23 | N5 | HB | 119.4° | 117.3° |
| N5 | C23 | N6 | 121.9° | 117.1° |
| N5 | C23 | N7 | 122.8° | 121.2° |
| N6 | C23 | N7 | 115.3° | 121.8° |
| C23 | N6 | H6N1 | 121.9° | 122.3° |
| C23 | N6 | H6N2 | 115.3° | 121.0° |
| C23 | N7 | H7 | 120.0° | 108.5° |
| H6N1 | N6 | H6N2 | 122.8° | 116.7° |
| O4 | S | O5 | 110.5° | 120.8° |
| O4 | S | C24 | 106.1° | 107.9° |
| O5 | S | C24 | 107.0° | 107.3° |
| S | C24 | C25 | 101.1° | 107.7° |
| S | C24 | H241 | 115.4° | 108.1° |
| S | C24 | H242 | 115.4° | 108.2° |
| C25 | C24 | H241 | 115.4° | 112.0° |
| C25 | C24 | H242 | 115.4° | 112.0° |
| C24 | C25 | C26 | 124.2° | 119.8° |
| C24 | C25 | C30 | 118.7° | 119.7° |
| H241 | C24 | H242 | 95.0° | 108.6° |
| C26 | C25 | C30 | 117.1° | 120.5° |
| C25 | C26 | C27 | 122.7° | 119.7° |
| C25 | C26 | H26 | 118.6° | 120.8° |
| C25 | C30 | C29 | 122.1° | 119.8° |
| C25 | C30 | H30 | 119.0° | 120.8° |
| C27 | C26 | H26 | 118.6° | 119.5° |
| C26 | C27 | C28 | 117.8° | 120.0° |
| C26 | C27 | H27 | 121.1° | 120.0° |
| C28 | C27 | H27 | 121.1° | 119.9° |
| C27 | C28 | C29 | 121.0° | 120.0° |
| C27 | C28 | H28 | 119.5° | 120.0° |
| C29 | C28 | H28 | 119.5° | 120.0° |
| C28 | C29 | C30 | 119.0° | 120.0° |
| C28 | C29 | H29 | 120.5° | 120.0° |
| C30 | C29 | H29 | 120.5° | 120.0° |
| C29 | C30 | H30 | 118.9° | 119.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C1 | N1 | S | H1 | 180.0° | 143.4° |
| N1 | C1 | C2 | N4 | 122.2° | 117.8° |
| N1 | C1 | C2 | HA | 119.7° | 117.4° |
| N1 | C1 | N4 | HA | 122.0° | 119.8° |
| N1 | C1 | C2 | O1 | 8.7° | 13.7° |
| N1 | C1 | C2 | N2 | 172.4° | 164.0° |
| N1 | C1 | N4 | C8 | 176.6° | 169.4° |
| C1 | N1 | S | O4 | 29.0° | 167.0° |
| C1 | N1 | S | O5 | 146.8° | 59.0° |
| C1 | N1 | S | C24 | 90.9° | 53.4° |
| S | N1 | C1 | C2 | 136.4° | 150.6° |
| S | N1 | C1 | N4 | 105.3° | 93.9° |
| S | N1 | C1 | HA | 16.6° | 30.0° |
| N1 | S | O4 | O5 | 115.4° | 127.3° |
| N1 | S | O4 | C24 | 128.9° | 108.8° |
| N1 | S | O5 | C24 | 130.4° | 107.9° |
| N1 | S | C24 | C25 | 55.0° | 180.0° |
| N1 | S | C24 | H241 | 179.7° | 58.7° |
| N1 | S | C24 | H242 | 70.3° | 58.7° |
| H1 | N1 | C1 | C2 | 43.6° | 64.8° |
| H1 | N1 | C1 | N4 | 74.7° | 50.6° |
| H1 | N1 | C1 | HA | 163.4° | 174.5° |
| H1 | N1 | S | O4 | 151.0° | 23.6° |
| H1 | N1 | S | O5 | 33.2° | 157.6° |
| H1 | N1 | S | C24 | 89.1° | 90.0° |
| C2 | C1 | N4 | HA | 118.1° | 123.7° |
| C1 | C2 | O1 | N2 | 178.9° | 177.5° |
| C1 | C2 | N2 | C3 | 175.7° | 168.9° |
| C1 | C2 | N2 | C7 | 3.0° | 8.1° |
| C2 | C1 | N4 | C8 | 63.4° | 74.1° |
| N4 | C1 | C2 | O1 | 113.5° | 104.0° |
| N4 | C1 | C2 | N2 | 65.4° | 78.3° |
| C1 | N4 | C8 | C9 | 5.3° | 1.2° |
| C1 | N4 | C8 | C10 | 174.7° | 179.6° |
| HA | C1 | C2 | O1 | 128.4° | 131.1° |
| HA | C1 | C2 | N2 | 52.7° | 46.6° |
| HA | C1 | N4 | C8 | 54.7° | 49.6° |
| O1 | C2 | N2 | C3 | 3.2° | 8.7° |
| O1 | C2 | N2 | C7 | 178.2° | 174.3° |
| C2 | N2 | C3 | C7 | 178.7° | 177.2° |
| C2 | N2 | C3 | C4 | 71.7° | 87.3° |
| C2 | N2 | C3 | H3C1 | 163.0° | 32.8° |
| C2 | N2 | C3 | H3C2 | 53.5° | 152.3° |
| C2 | N2 | C7 | C9 | 46.3° | 31.9° |
| C2 | N2 | C7 | C19 | 133.9° | 148.8° |
| N2 | C3 | C4 | H3C1 | 125.3° | 119.9° |
| N2 | C3 | C4 | H3C2 | 125.2° | 120.0° |
| N2 | C3 | H3C1 | H3C2 | 116.9° | 119.4° |
| N2 | C3 | C4 | O3 | 26.8° | 30.0° |
| N2 | C3 | C4 | N3 | 153.1° | 150.2° |
| C3 | N2 | C7 | C9 | 132.4° | 151.1° |
| C3 | N2 | C7 | C19 | 47.5° | 28.1° |
| C7 | N2 | C3 | C4 | 106.9° | 89.8° |
| C7 | N2 | C3 | H3C1 | 18.3° | 150.0° |
| C7 | N2 | C3 | H3C2 | 127.8° | 30.6° |
| N2 | C7 | C9 | C19 | 179.8° | 179.2° |
| N2 | C7 | C9 | C8 | 2.3° | 5.8° |
| N2 | C7 | C9 | C16 | 177.9° | 177.2° |
| N2 | C7 | C19 | C18 | 179.0° | 178.1° |
| N2 | C7 | C19 | H19 | 1.0° | 0.3° |
| C4 | C3 | H3C1 | H3C2 | 116.9° | 120.5° |
| C3 | C4 | O3 | N3 | 179.9° | 179.9° |
| C3 | C4 | N3 | C5 | 171.4° | 179.9° |
| C3 | C4 | N3 | H3 | 8.6° | 0.2° |
| H3C1 | C3 | C4 | O3 | 98.5° | 89.9° |
| H3C1 | C3 | C4 | N3 | 81.7° | 90.0° |
| H3C2 | C3 | C4 | O3 | 152.0° | 149.9° |
| H3C2 | C3 | C4 | N3 | 27.8° | 30.2° |
| O3 | C4 | N3 | C5 | 8.7° | 0.0° |
| O3 | C4 | N3 | H3 | 171.3° | 180.0° |
| C4 | N3 | C5 | H3 | 180.0° | 180.0° |
| C4 | N3 | C5 | C6 | 109.7° | 143.9° |
| C4 | N3 | C5 | C20 | 128.1° | 90.1° |
| C4 | N3 | C5 | H5 | 8.8° | 30.0° |
| N3 | C5 | C6 | C20 | 128.3° | 125.5° |
| N3 | C5 | C6 | H5 | 118.5° | 113.3° |
| N3 | C5 | C20 | H5 | 119.3° | 117.7° |
| N3 | C5 | C6 | O2 | 39.7° | 173.2° |
| N3 | C5 | C6 | H6 | 140.3° | 12.1° |
| N3 | C5 | C20 | C21 | 59.7° | 61.0° |
| N3 | C5 | C20 | H201 | 175.1° | 177.2° |
| N3 | C5 | C20 | H202 | 65.6° | 61.1° |
| H3 | N3 | C5 | C6 | 70.3° | 36.1° |
| H3 | N3 | C5 | C20 | 51.9° | 89.9° |
| H3 | N3 | C5 | H5 | 171.2° | 150.1° |
| C6 | C5 | C20 | H5 | 113.2° | 119.5° |
| C5 | C6 | O2 | H6 | 180.0° | 174.5° |
| C6 | C5 | C20 | C21 | 172.8° | 61.9° |
| C6 | C5 | C20 | H201 | 47.5° | 60.0° |
| C6 | C5 | C20 | H202 | 62.0° | 176.0° |
| C20 | C5 | C6 | O2 | 168.0° | 61.3° |
| C20 | C5 | C6 | H6 | 12.0° | 113.4° |
| C5 | C20 | C21 | H201 | 125.3° | 121.5° |
| C5 | C20 | C21 | H202 | 125.3° | 122.2° |
| C5 | C20 | H201 | H202 | 119.1° | 117.6° |
| C5 | C20 | C21 | C22 | 173.6° | 178.5° |
| C5 | C20 | C21 | H211 | 48.3° | 59.2° |
| C5 | C20 | C21 | H212 | 61.1° | 58.2° |
| H5 | C5 | C6 | O2 | 78.8° | 59.9° |
| H5 | C5 | C6 | H6 | 101.2° | 125.4° |
| H5 | C5 | C20 | C21 | 59.6° | 178.7° |
| H5 | C5 | C20 | H201 | 65.7° | 59.5° |
| H5 | C5 | C20 | H202 | 175.1° | 56.6° |
| C7 | C9 | C8 | C16 | 179.8° | 177.1° |
| C7 | C9 | C8 | N4 | 44.5° | 46.9° |
| C7 | C9 | C8 | C10 | 135.5° | 133.8° |
| C7 | C9 | C16 | C17 | 0.3° | 2.3° |
| C7 | C9 | C16 | H16 | 179.7° | 178.5° |
| C9 | C7 | C19 | C18 | 0.8° | 2.7° |
| C9 | C7 | C19 | H19 | 179.2° | 179.6° |
| C19 | C7 | C9 | C8 | 177.9° | 173.4° |
| C19 | C7 | C9 | C16 | 1.9° | 3.6° |
| C7 | C19 | C18 | C17 | 2.6° | 0.3° |
| C7 | C19 | C18 | H19 | 180.0° | 177.8° |
| C7 | C19 | C18 | H18 | 177.4° | 178.9° |
| C9 | C8 | N4 | C10 | 180.0° | 179.3° |
| C9 | C8 | C10 | C11 | 42.0° | 30.0° |
| C9 | C8 | C10 | C15 | 137.7° | 150.0° |
| C8 | C9 | C16 | C17 | 179.9° | 174.9° |
| C8 | C9 | C16 | H16 | 0.1° | 4.3° |
| C16 | C9 | C8 | N4 | 135.3° | 135.9° |
| C16 | C9 | C8 | C10 | 44.7° | 43.3° |
| C9 | C16 | C17 | H16 | 180.0° | 179.2° |
| C9 | C16 | C17 | C18 | 3.7° | 0.1° |
| C9 | C16 | C17 | H17 | 176.3° | 179.6° |
| N4 | C8 | C10 | C11 | 138.0° | 150.6° |
| N4 | C8 | C10 | C15 | 42.3° | 29.4° |
| C8 | C10 | C11 | C15 | 179.7° | 180.0° |
| C8 | C10 | C11 | C12 | 177.1° | 180.0° |
| C8 | C10 | C11 | H11 | 2.9° | 0.0° |
| C8 | C10 | C15 | C14 | 177.3° | 180.0° |
| C8 | C10 | C15 | H15 | 2.7° | 0.0° |
| C10 | C11 | C12 | H11 | 180.0° | 180.0° |
| C10 | C11 | C12 | C13 | 2.6° | 0.0° |
| C10 | C11 | C12 | H12 | 177.4° | 180.0° |
| C11 | C10 | C15 | C14 | 2.4° | 0.0° |
| C11 | C10 | C15 | H15 | 177.6° | 180.0° |
| C15 | C10 | C11 | C12 | 2.6° | 0.0° |
| C15 | C10 | C11 | H11 | 177.4° | 180.0° |
| C10 | C15 | C14 | C13 | 2.3° | 0.0° |
| C10 | C15 | C14 | H15 | 180.0° | 180.0° |
| C10 | C15 | C14 | H14 | 177.7° | 180.0° |
| C11 | C12 | C13 | H12 | 180.0° | 180.0° |
| C11 | C12 | C13 | C14 | 2.3° | 0.0° |
| C11 | C12 | C13 | H13 | 177.7° | 180.0° |
| H11 | C11 | C12 | C13 | 177.4° | 180.0° |
| H11 | C11 | C12 | H12 | 2.6° | 0.0° |
| C12 | C13 | C14 | H13 | 180.0° | 180.0° |
| C12 | C13 | C14 | C15 | 2.1° | 0.0° |
| C12 | C13 | C14 | H14 | 177.9° | 180.0° |
| H12 | C12 | C13 | C14 | 177.7° | 180.0° |
| H12 | C12 | C13 | H13 | 2.3° | 0.0° |
| C13 | C14 | C15 | H14 | 180.0° | 180.0° |
| C13 | C14 | C15 | H15 | 177.8° | 180.0° |
| H13 | C13 | C14 | C15 | 177.9° | 180.0° |
| H13 | C13 | C14 | H14 | 2.1° | 0.0° |
| H14 | C14 | C15 | H15 | 2.3° | 0.0° |
| C16 | C17 | C18 | H17 | 180.0° | 179.5° |
| C16 | C17 | C18 | C19 | 4.8° | 1.1° |
| C16 | C17 | C18 | H18 | 175.2° | 179.6° |
| H16 | C16 | C17 | C18 | 176.3° | 179.1° |
| H16 | C16 | C17 | H17 | 3.7° | 0.4° |
| C17 | C18 | C19 | H18 | 180.0° | 179.3° |
| C17 | C18 | C19 | H19 | 177.4° | 178.2° |
| H17 | C17 | C18 | C19 | 175.2° | 179.4° |
| H17 | C17 | C18 | H18 | 4.8° | 0.1° |
| H18 | C18 | C19 | H19 | 2.6° | 1.1° |
| C21 | C20 | H201 | H202 | 119.0° | 117.6° |
| C20 | C21 | C22 | H211 | 125.3° | 122.6° |
| C20 | C21 | C22 | H212 | 125.3° | 121.0° |
| C20 | C21 | H211 | H212 | 116.4° | 118.8° |
| C20 | C21 | C22 | N5 | 163.1° | 178.0° |
| C20 | C21 | C22 | H221 | 37.8° | 60.0° |
| C20 | C21 | C22 | H222 | 71.6° | 58.3° |
| H201 | C20 | C21 | C22 | 61.2° | 60.0° |
| H201 | C20 | C21 | H211 | 173.6° | 62.3° |
| H201 | C20 | C21 | H212 | 64.1° | 179.7° |
| H202 | C20 | C21 | C22 | 48.3° | 56.3° |
| H202 | C20 | C21 | H211 | 77.0° | 178.6° |
| H202 | C20 | C21 | H212 | 173.6° | 64.1° |
| C22 | C21 | H211 | H212 | 116.4° | 117.1° |
| C21 | C22 | N5 | H221 | 125.3° | 122.6° |
| C21 | C22 | N5 | H222 | 125.3° | 120.2° |
| C21 | C22 | H221 | H222 | 118.7° | 119.5° |
| C21 | C22 | N5 | C23 | 179.2° | 177.4° |
| C21 | C22 | N5 | HB | 0.8° | 2.7° |
| H211 | C21 | C22 | N5 | 71.6° | 59.4° |
| H211 | C21 | C22 | H221 | 163.1° | 62.6° |
| H211 | C21 | C22 | H222 | 53.6° | 179.1° |
| H212 | C21 | C22 | N5 | 37.8° | 57.0° |
| H212 | C21 | C22 | H221 | 87.5° | 179.0° |
| H212 | C21 | C22 | H222 | 163.1° | 62.7° |
| N5 | C22 | H221 | H222 | 118.7° | 117.9° |
| C22 | N5 | C23 | HB | 180.0° | 180.0° |
| C22 | N5 | C23 | N6 | 2.8° | 0.0° |
| C22 | N5 | C23 | N7 | 177.1° | 179.9° |
| H221 | C22 | N5 | C23 | 55.6° | 60.0° |
| H221 | C22 | N5 | HB | 124.4° | 120.0° |
| H222 | C22 | N5 | C23 | 53.9° | 57.2° |
| H222 | C22 | N5 | HB | 126.1° | 122.8° |
| N5 | C23 | N6 | N7 | 179.9° | 179.9° |
| N5 | C23 | N6 | H6N1 | 180.0° | 0.1° |
| N5 | C23 | N6 | H6N2 | 0.1° | 179.9° |
| N5 | C23 | N7 | H7 | 161.5° | 0.0° |
| HB | N5 | C23 | N6 | 177.3° | 180.0° |
| HB | N5 | C23 | N7 | 2.8° | 0.1° |
| C23 | N6 | H6N1 | H6N2 | 180.0° | 180.0° |
| N6 | C23 | N7 | H7 | 18.6° | 180.0° |
| N7 | C23 | N6 | H6N1 | 0.1° | 180.0° |
| N7 | C23 | N6 | H6N2 | 180.0° | 0.0° |
| O4 | S | O5 | C24 | 115.1° | 124.2° |
| O4 | S | C24 | C25 | 64.7° | 64.8° |
| O4 | S | C24 | H241 | 60.6° | 56.4° |
| O4 | S | C24 | H242 | 170.0° | 173.9° |
| O5 | S | C24 | C25 | 177.3° | 66.8° |
| O5 | S | C24 | H241 | 57.4° | 171.9° |
| O5 | S | C24 | H242 | 52.0° | 54.5° |
| S | C24 | C25 | H241 | 125.3° | 118.8° |
| S | C24 | C25 | H242 | 125.3° | 118.8° |
| S | C24 | H241 | H242 | 121.2° | 117.1° |
| S | C24 | C25 | C26 | 76.4° | 90.0° |
| S | C24 | C25 | C30 | 103.4° | 90.0° |
| C25 | C24 | H241 | H242 | 121.2° | 124.3° |
| C24 | C25 | C26 | C30 | 179.8° | 179.9° |
| C24 | C25 | C26 | C27 | 178.4° | 180.0° |
| C24 | C25 | C26 | H26 | 1.6° | 0.0° |
| C24 | C25 | C30 | C29 | 179.9° | 180.0° |
| C24 | C25 | C30 | H30 | 0.0° | 0.0° |
| H241 | C24 | C25 | C26 | 48.8° | 28.8° |
| H241 | C24 | C25 | C30 | 131.4° | 151.1° |
| H242 | C24 | C25 | C26 | 158.3° | 151.2° |
| H242 | C24 | C25 | C30 | 21.9° | 28.8° |
| C25 | C26 | C27 | H26 | 180.0° | 180.0° |
| C25 | C26 | C27 | C28 | 0.7° | 0.0° |
| C25 | C26 | C27 | H27 | 179.3° | 180.0° |
| C26 | C25 | C30 | C29 | 0.1° | 0.0° |
| C26 | C25 | C30 | H30 | 179.9° | 180.0° |
| C30 | C25 | C26 | C27 | 1.8° | 0.0° |
| C30 | C25 | C26 | H26 | 178.2° | 180.0° |
| C25 | C30 | C29 | C28 | 3.9° | 0.0° |
| C25 | C30 | C29 | H30 | 180.0° | 180.0° |
| C25 | C30 | C29 | H29 | 176.1° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | C29 | 4.8° | 0.0° |
| C26 | C27 | C28 | H28 | 175.2° | 180.0° |
| H26 | C26 | C27 | C28 | 179.3° | 180.0° |
| H26 | C26 | C27 | H27 | 0.7° | 0.0° |
| C27 | C28 | C29 | H28 | 180.0° | 180.0° |
| C27 | C28 | C29 | C30 | 6.4° | 0.0° |
| C27 | C28 | C29 | H29 | 173.6° | 180.0° |
| H27 | C27 | C28 | C29 | 175.2° | 180.0° |
| H27 | C27 | C28 | H28 | 4.8° | 0.1° |
| C28 | C29 | C30 | H29 | 180.0° | 180.0° |
| C28 | C29 | C30 | H30 | 176.1° | 180.0° |
| H28 | C28 | C29 | C30 | 173.6° | 180.0° |
| H28 | C28 | C29 | H29 | 6.4° | 0.0° |
| H29 | C29 | C30 | H30 | 3.9° | 0.0° |
