L00
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N5 | C9 | sing | 1.42Å | 1.39Å | |
| N5 | C2 | sing | 1.45Å | 1.47Å | |
| N5 | C1 | sing | 1.45Å | 1.48Å | |
| C9 | N1 | doub | 1.35Å | 1.38Å | Aromatic |
| C9 | C10 | sing | 1.39Å | 1.43Å | Aromatic |
| C10 | C11 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | H10 | sing | 1.09Å | 1.08Å | |
| C11 | C12 | sing | 1.40Å | 1.42Å | Aromatic |
| C11 | C29 | sing | 1.43Å | 1.46Å | Aromatic |
| C12 | CL | sing | 1.73Å | 1.71Å | |
| C12 | C13 | doub | 1.39Å | 1.42Å | Aromatic |
| C13 | N2 | sing | 1.43Å | 1.38Å | |
| C13 | N1 | sing | 1.35Å | 1.35Å | Aromatic |
| N2 | C16 | sing | 1.49Å | 1.47Å | |
| N2 | S1 | sing | 1.72Å | 1.63Å | |
| S1 | C15 | sing | 1.78Å | 1.81Å | |
| S1 | O3 | doub | 1.45Å | 1.43Å | |
| S1 | O2 | doub | 1.45Å | 1.43Å | |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C16 | H161 | sing | 1.09Å | 1.10Å | |
| C16 | H162 | sing | 1.09Å | 1.10Å | |
| C16 | H163 | sing | 1.09Å | 1.10Å | |
| C20 | C30 | sing | 1.54Å | 1.50Å | |
| C20 | C22 | sing | 1.56Å | 1.55Å | |
| C20 | C21 | sing | 1.55Å | 1.55Å | |
| C20 | N6 | sing | 1.46Å | 1.47Å | |
| N6 | HN61 | sing | 1.00Å | 1.00Å | |
| N6 | HN62 | sing | 1.00Å | 1.00Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.10Å | 1.10Å | |
| C21 | H213 | sing | 1.10Å | 1.10Å | |
| C22 | C26 | sing | 1.51Å | 1.51Å | |
| C22 | H221 | sing | 1.10Å | 1.10Å | |
| C22 | H222 | sing | 1.10Å | 1.10Å | |
| C23 | C24 | sing | 1.39Å | 1.46Å | Aromatic |
| C23 | C28 | doub | 1.40Å | 1.46Å | Aromatic |
| C23 | H23 | sing | 1.09Å | 1.08Å | |
| C24 | C25 | doub | 1.40Å | 1.45Å | Aromatic |
| C24 | H24 | sing | 1.09Å | 1.08Å | |
| C25 | C26 | sing | 1.38Å | 1.46Å | Aromatic |
| C25 | H25 | sing | 1.09Å | 1.08Å | |
| C26 | C27 | doub | 1.38Å | 1.46Å | Aromatic |
| C27 | C28 | sing | 1.39Å | 1.46Å | Aromatic |
| C27 | H27 | sing | 1.09Å | 1.08Å | |
| C28 | H28 | sing | 1.09Å | 1.08Å | |
| N3 | N4 | sing | 1.38Å | 1.27Å | Aromatic |
| N3 | C30 | doub | 1.27Å | 1.34Å | Aromatic |
| N4 | C29 | doub | 1.31Å | 1.36Å | Aromatic |
| C29 | O4 | sing | 1.36Å | 1.32Å | Aromatic |
| O4 | C30 | sing | 1.33Å | 1.32Å | Aromatic |
| C1 | C6 | sing | 1.49Å | 1.49Å | |
| C1 | H11 | sing | 1.09Å | 1.10Å | |
| C1 | H12 | sing | 1.09Å | 1.10Å | |
| C2 | C3 | sing | 1.52Å | 1.53Å | |
| C2 | H21 | sing | 1.09Å | 1.10Å | |
| C2 | H22 | sing | 1.09Å | 1.10Å | |
| C3 | O1 | sing | 1.42Å | 1.43Å | |
| C3 | H31 | sing | 1.09Å | 1.10Å | |
| C3 | H32 | sing | 1.09Å | 1.10Å | |
| O1 | C4 | sing | 1.42Å | 1.43Å | |
| C4 | H41 | sing | 1.09Å | 1.10Å | |
| C4 | H42 | sing | 1.09Å | 1.10Å | |
| C4 | H43 | sing | 1.09Å | 1.10Å | |
| C5 | C6 | sing | 1.50Å | 1.52Å | |
| C5 | C7 | sing | 1.50Å | 1.51Å | |
| C5 | C8 | sing | 1.48Å | 1.47Å | |
| C5 | H5 | sing | 1.08Å | 1.10Å | |
| C6 | C7 | sing | 1.50Å | 1.51Å | |
| C6 | H6 | sing | 1.08Å | 1.10Å | |
| C7 | H71 | sing | 1.08Å | 1.10Å | |
| C7 | H72 | sing | 1.08Å | 1.10Å | |
| C8 | H81 | sing | 1.09Å | 1.10Å | |
| C8 | H82 | sing | 1.09Å | 1.10Å | |
| C8 | H83 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C9 | N5 | C2 | 119.8° | 120.2° |
| C9 | N5 | C1 | 124.2° | 120.2° |
| N5 | C9 | N1 | 118.5° | 118.6° |
| N5 | C9 | C10 | 122.1° | 117.3° |
| C2 | N5 | C1 | 116.0° | 119.6° |
| N5 | C2 | C3 | 112.7° | 109.6° |
| N5 | C2 | H21 | 108.4° | 108.2° |
| N5 | C2 | H22 | 107.7° | 108.2° |
| N5 | C1 | C6 | 110.5° | 111.1° |
| N5 | C1 | H11 | 109.1° | 107.8° |
| N5 | C1 | H12 | 108.9° | 107.7° |
| N1 | C9 | C10 | 119.4° | 124.1° |
| C9 | N1 | C13 | 124.8° | 116.3° |
| C9 | C10 | C11 | 117.7° | 118.3° |
| C9 | C10 | H10 | 121.2° | 120.9° |
| C11 | C10 | H10 | 121.1° | 120.8° |
| C10 | C11 | C12 | 120.1° | 118.9° |
| C10 | C11 | C29 | 113.4° | 118.6° |
| C12 | C11 | C29 | 126.4° | 122.5° |
| C11 | C12 | CL | 121.0° | 121.1° |
| C11 | C12 | C13 | 120.7° | 118.3° |
| C11 | C29 | N4 | 129.8° | 130.5° |
| C11 | C29 | O4 | 124.7° | 116.0° |
| CL | C12 | C13 | 118.1° | 120.6° |
| C12 | C13 | N2 | 123.8° | 121.4° |
| C12 | C13 | N1 | 117.4° | 124.0° |
| N2 | C13 | N1 | 118.8° | 114.5° |
| C13 | N2 | C16 | 119.9° | 117.3° |
| C13 | N2 | S1 | 119.2° | 117.3° |
| C16 | N2 | S1 | 119.0° | 117.7° |
| N2 | C16 | H161 | 109.5° | 110.1° |
| N2 | C16 | H162 | 109.5° | 110.3° |
| N2 | C16 | H163 | 109.5° | 110.3° |
| N2 | S1 | C15 | 106.8° | 101.4° |
| N2 | S1 | O3 | 107.4° | 110.0° |
| N2 | S1 | O2 | 107.9° | 109.4° |
| C15 | S1 | O3 | 108.3° | 107.4° |
| C15 | S1 | O2 | 107.4° | 106.8° |
| S1 | C15 | H151 | 109.5° | 108.4° |
| S1 | C15 | H152 | 109.5° | 108.4° |
| S1 | C15 | H153 | 109.5° | 108.4° |
| O3 | S1 | O2 | 118.6° | 120.1° |
| H151 | C15 | H152 | 109.4° | 110.4° |
| H151 | C15 | H153 | 109.5° | 110.5° |
| H152 | C15 | H153 | 109.5° | 110.5° |
| H161 | C16 | H162 | 109.5° | 108.7° |
| H161 | C16 | H163 | 109.5° | 108.7° |
| H162 | C16 | H163 | 109.5° | 108.7° |
| C30 | C20 | C22 | 106.7° | 110.7° |
| C30 | C20 | C21 | 107.5° | 110.7° |
| C30 | C20 | N6 | 105.6° | 112.0° |
| C20 | C30 | N3 | 133.8° | 127.2° |
| C20 | C30 | O4 | 118.4° | 114.2° |
| C22 | C20 | C21 | 112.8° | 108.3° |
| C22 | C20 | N6 | 115.1° | 109.4° |
| C20 | C22 | C26 | 118.9° | 115.7° |
| C20 | C22 | H221 | 106.5° | 109.6° |
| C20 | C22 | H222 | 104.3° | 110.0° |
| C21 | C20 | N6 | 108.4° | 105.7° |
| C20 | C21 | H211 | 109.5° | 112.7° |
| C20 | C21 | H212 | 109.4° | 111.2° |
| C20 | C21 | H213 | 109.5° | 110.9° |
| C20 | N6 | HN61 | 109.5° | 118.0° |
| C20 | N6 | HN62 | 109.5° | 118.0° |
| HN61 | N6 | HN62 | 109.4° | 122.5° |
| H211 | C21 | H212 | 109.5° | 107.8° |
| H211 | C21 | H213 | 109.4° | 106.9° |
| H212 | C21 | H213 | 109.5° | 107.1° |
| C26 | C22 | H221 | 106.4° | 107.8° |
| C26 | C22 | H222 | 104.3° | 108.2° |
| C22 | C26 | C25 | 117.3° | 119.1° |
| C22 | C26 | C27 | 120.1° | 119.2° |
| H221 | C22 | H222 | 117.1° | 105.0° |
| C24 | C23 | C28 | 123.2° | 120.0° |
| C24 | C23 | H23 | 118.4° | 120.0° |
| C23 | C24 | C25 | 118.7° | 120.0° |
| C23 | C24 | H24 | 120.6° | 120.0° |
| C28 | C23 | H23 | 118.4° | 120.0° |
| C23 | C28 | C27 | 118.2° | 120.0° |
| C23 | C28 | H28 | 120.9° | 120.0° |
| C25 | C24 | H24 | 120.6° | 120.0° |
| C24 | C25 | C26 | 118.6° | 119.2° |
| C24 | C25 | H25 | 120.7° | 119.5° |
| C26 | C25 | H25 | 120.7° | 121.4° |
| C25 | C26 | C27 | 122.6° | 121.7° |
| C26 | C27 | C28 | 118.6° | 119.2° |
| C26 | C27 | H27 | 120.7° | 121.3° |
| C28 | C27 | H27 | 120.7° | 119.5° |
| C27 | C28 | H28 | 120.9° | 120.0° |
| N4 | N3 | C30 | 107.9° | 103.5° |
| N3 | N4 | C29 | 109.8° | 105.9° |
| N3 | C30 | O4 | 107.7° | 118.7° |
| N4 | C29 | O4 | 105.4° | 113.6° |
| C29 | O4 | C30 | 109.1° | 98.4° |
| C6 | C1 | H11 | 109.1° | 110.6° |
| C6 | C1 | H12 | 108.9° | 110.8° |
| C1 | C6 | C5 | 121.6° | 118.9° |
| C1 | C6 | C7 | 110.5° | 118.9° |
| C1 | C6 | H6 | 94.8° | 111.9° |
| H11 | C1 | H12 | 110.3° | 108.8° |
| C3 | C2 | H21 | 108.4° | 111.3° |
| C3 | C2 | H22 | 107.7° | 110.4° |
| C2 | C3 | O1 | 112.1° | 109.4° |
| C2 | C3 | H31 | 108.6° | 110.0° |
| C2 | C3 | H32 | 108.0° | 111.6° |
| H21 | C2 | H22 | 112.0° | 109.1° |
| O1 | C3 | H31 | 108.6° | 108.0° |
| O1 | C3 | H32 | 108.0° | 108.7° |
| C3 | O1 | C4 | 110.8° | 111.5° |
| H31 | C3 | H32 | 111.6° | 109.0° |
| O1 | C4 | H41 | 109.5° | 109.5° |
| O1 | C4 | H42 | 109.5° | 109.5° |
| O1 | C4 | H43 | 109.4° | 109.0° |
| H41 | C4 | H42 | 109.4° | 110.1° |
| H41 | C4 | H43 | 109.5° | 109.3° |
| H42 | C4 | H43 | 109.5° | 109.4° |
| C6 | C5 | C7 | 60.0° | 59.9° |
| C6 | C5 | C8 | 109.6° | 119.0° |
| C6 | C5 | H5 | 138.9° | 119.3° |
| C5 | C6 | C7 | 59.8° | 60.2° |
| C5 | C6 | H6 | 130.7° | 119.5° |
| C7 | C5 | C8 | 118.2° | 119.2° |
| C7 | C5 | H5 | 131.7° | 118.1° |
| C5 | C7 | C6 | 60.3° | 59.9° |
| C5 | C7 | H71 | 130.7° | 118.5° |
| C5 | C7 | H72 | 135.8° | 117.6° |
| C8 | C5 | H5 | 97.2° | 112.2° |
| C5 | C8 | H81 | 109.5° | 110.6° |
| C5 | C8 | H82 | 109.5° | 110.6° |
| C5 | C8 | H83 | 109.5° | 110.5° |
| C7 | C6 | H6 | 140.1° | 118.6° |
| C6 | C7 | H71 | 130.7° | 117.4° |
| C6 | C7 | H72 | 135.8° | 118.7° |
| H71 | C7 | H72 | 75.0° | 114.2° |
| H81 | C8 | H82 | 109.4° | 108.4° |
| H81 | C8 | H83 | 109.5° | 108.3° |
| H82 | C8 | H83 | 109.5° | 108.4° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C9 | N5 | C2 | C1 | 179.5° | 179.4° |
| N5 | C9 | N1 | C10 | 179.6° | 180.0° |
| N5 | C9 | C10 | C11 | 180.0° | 180.0° |
| N5 | C9 | C10 | H10 | 0.1° | 0.0° |
| N5 | C9 | N1 | C13 | 179.7° | 180.0° |
| C9 | N5 | C1 | C6 | 79.9° | 88.7° |
| C9 | N5 | C1 | H11 | 40.1° | 150.0° |
| C9 | N5 | C1 | H12 | 160.6° | 32.8° |
| C9 | N5 | C2 | C3 | 77.8° | 81.5° |
| C9 | N5 | C2 | H21 | 162.2° | 40.0° |
| C9 | N5 | C2 | H22 | 40.8° | 158.1° |
| C2 | N5 | C9 | N1 | 1.6° | 179.4° |
| C2 | N5 | C9 | C10 | 178.8° | 0.6° |
| C2 | N5 | C1 | C6 | 99.6° | 90.6° |
| C2 | N5 | C1 | H11 | 140.5° | 30.7° |
| C2 | N5 | C1 | H12 | 20.0° | 147.9° |
| N5 | C2 | C3 | H21 | 120.0° | 119.6° |
| N5 | C2 | C3 | H22 | 118.6° | 119.0° |
| N5 | C2 | H21 | H22 | 118.7° | 117.5° |
| N5 | C2 | C3 | O1 | 64.1° | 178.5° |
| N5 | C2 | C3 | H31 | 175.9° | 60.0° |
| N5 | C2 | C3 | H32 | 54.7° | 61.1° |
| C1 | N5 | C9 | N1 | 179.0° | 0.0° |
| C1 | N5 | C9 | C10 | 0.6° | 180.0° |
| N5 | C1 | C6 | H11 | 120.0° | 119.7° |
| N5 | C1 | C6 | H12 | 119.5° | 119.7° |
| N5 | C1 | H11 | H12 | 119.6° | 116.5° |
| C1 | N5 | C2 | C3 | 102.7° | 99.1° |
| C1 | N5 | C2 | H21 | 17.3° | 139.4° |
| C1 | N5 | C2 | H22 | 138.7° | 21.3° |
| N5 | C1 | C6 | C5 | 90.1° | 110.5° |
| N5 | C1 | C6 | C7 | 156.5° | 179.6° |
| N5 | C1 | C6 | H6 | 54.9° | 35.4° |
| N1 | C9 | C10 | C11 | 0.4° | 0.0° |
| N1 | C9 | C10 | H10 | 179.6° | 180.0° |
| C9 | N1 | C13 | C12 | 0.4° | 0.0° |
| C9 | N1 | C13 | N2 | 177.9° | 180.0° |
| C9 | C10 | C11 | H10 | 180.0° | 180.0° |
| C9 | C10 | C11 | C12 | 0.3° | 0.0° |
| C9 | C10 | C11 | C29 | 176.2° | 180.0° |
| C10 | C9 | N1 | C13 | 0.7° | 0.0° |
| C10 | C11 | C12 | C29 | 175.3° | 180.0° |
| C10 | C11 | C12 | CL | 175.0° | 179.9° |
| C10 | C11 | C12 | C13 | 0.7° | 0.0° |
| C10 | C11 | C29 | N4 | 145.0° | 150.0° |
| C10 | C11 | C29 | O4 | 33.7° | 30.0° |
| H10 | C10 | C11 | C12 | 179.7° | 180.0° |
| H10 | C10 | C11 | C29 | 3.8° | 0.0° |
| C11 | C12 | CL | C13 | 175.8° | 180.0° |
| C11 | C12 | C13 | N2 | 178.5° | 180.0° |
| C11 | C12 | C13 | N1 | 0.3° | 0.0° |
| C12 | C11 | C29 | N4 | 39.4° | 30.0° |
| C12 | C11 | C29 | O4 | 141.8° | 150.0° |
| C29 | C11 | C12 | CL | 0.2° | 0.0° |
| C29 | C11 | C12 | C13 | 175.9° | 180.0° |
| C11 | C29 | N4 | N3 | 179.4° | 180.0° |
| C11 | C29 | N4 | O4 | 178.9° | 180.0° |
| C11 | C29 | O4 | C30 | 179.5° | 180.0° |
| CL | C12 | C13 | N2 | 2.7° | 0.1° |
| CL | C12 | C13 | N1 | 175.5° | 180.0° |
| C12 | C13 | N2 | N1 | 178.2° | 180.0° |
| C12 | C13 | N2 | C16 | 69.7° | 120.0° |
| C12 | C13 | N2 | S1 | 126.2° | 91.2° |
| C13 | N2 | C16 | S1 | 164.1° | 148.7° |
| C13 | N2 | S1 | C15 | 90.5° | 90.0° |
| C13 | N2 | S1 | O3 | 153.6° | 23.5° |
| C13 | N2 | S1 | O2 | 24.6° | 157.4° |
| C13 | N2 | C16 | H161 | 151.5° | 125.3° |
| C13 | N2 | C16 | H162 | 88.5° | 5.4° |
| C13 | N2 | C16 | H163 | 31.5° | 114.7° |
| N1 | C13 | N2 | C16 | 112.2° | 60.0° |
| N1 | C13 | N2 | S1 | 51.9° | 88.8° |
| C16 | N2 | S1 | C15 | 73.7° | 58.7° |
| C16 | N2 | S1 | O3 | 42.2° | 172.2° |
| C16 | N2 | S1 | O2 | 171.2° | 53.9° |
| N2 | C16 | H161 | H162 | 120.0° | 120.9° |
| N2 | C16 | H161 | H163 | 120.0° | 120.9° |
| N2 | C16 | H162 | H163 | 120.0° | 121.0° |
| N2 | S1 | C15 | O3 | 115.3° | 115.4° |
| N2 | S1 | C15 | O2 | 115.5° | 114.5° |
| N2 | S1 | O3 | O2 | 122.5° | 128.3° |
| N2 | S1 | C15 | H151 | 144.0° | 65.3° |
| N2 | S1 | C15 | H152 | 24.1° | 54.6° |
| N2 | S1 | C15 | H153 | 96.0° | 174.7° |
| S1 | N2 | C16 | H161 | 44.4° | 23.4° |
| S1 | N2 | C16 | H162 | 75.6° | 143.3° |
| S1 | N2 | C16 | H163 | 164.4° | 96.6° |
| C15 | S1 | O3 | O2 | 122.5° | 122.2° |
| S1 | C15 | H151 | H152 | 120.0° | 118.7° |
| S1 | C15 | H151 | H153 | 120.0° | 118.7° |
| S1 | C15 | H152 | H153 | 120.0° | 118.7° |
| O3 | S1 | C15 | H151 | 100.6° | 179.3° |
| O3 | S1 | C15 | H152 | 139.4° | 60.8° |
| O3 | S1 | C15 | H153 | 19.4° | 59.3° |
| O2 | S1 | C15 | H151 | 28.5° | 49.2° |
| O2 | S1 | C15 | H152 | 91.4° | 169.1° |
| O2 | S1 | C15 | H153 | 148.5° | 70.8° |
| H151 | C15 | H152 | H153 | 120.0° | 122.6° |
| H161 | C16 | H162 | H163 | 120.0° | 118.2° |
| C30 | C20 | C22 | C21 | 117.9° | 121.5° |
| C30 | C20 | C22 | N6 | 116.9° | 123.8° |
| C30 | C20 | C21 | N6 | 113.8° | 121.4° |
| C30 | C20 | N6 | HN61 | 139.0° | 86.7° |
| C30 | C20 | N6 | HN62 | 101.0° | 79.8° |
| C30 | C20 | C21 | H211 | 51.4° | 65.9° |
| C30 | C20 | C21 | H212 | 171.4° | 55.2° |
| C30 | C20 | C21 | H213 | 68.5° | 174.2° |
| C30 | C20 | C22 | C26 | 47.8° | 60.0° |
| C30 | C20 | C22 | H221 | 72.1° | 177.8° |
| C30 | C20 | C22 | H222 | 163.4° | 62.9° |
| C20 | C30 | N3 | N4 | 176.4° | 180.0° |
| C20 | C30 | N3 | O4 | 176.7° | 180.0° |
| C20 | C30 | O4 | C29 | 178.1° | 180.0° |
| C22 | C20 | C21 | N6 | 128.8° | 117.1° |
| C22 | C20 | N6 | HN61 | 103.5° | 150.2° |
| C22 | C20 | N6 | HN62 | 16.5° | 43.2° |
| C22 | C20 | C21 | H211 | 66.0° | 172.5° |
| C22 | C20 | C21 | H212 | 54.0° | 66.3° |
| C22 | C20 | C21 | H213 | 174.0° | 52.7° |
| C20 | C22 | C26 | H221 | 120.0° | 123.1° |
| C20 | C22 | C26 | H222 | 115.5° | 123.9° |
| C20 | C22 | H221 | H222 | 116.2° | 118.1° |
| C20 | C22 | C26 | C25 | 94.8° | 90.0° |
| C20 | C22 | C26 | C27 | 82.9° | 90.0° |
| C22 | C20 | C30 | N3 | 89.8° | 120.0° |
| C22 | C20 | C30 | O4 | 86.6° | 60.0° |
| C21 | C20 | N6 | HN61 | 24.0° | 33.9° |
| C21 | C20 | N6 | HN62 | 144.0° | 159.6° |
| C20 | C21 | H211 | H212 | 120.0° | 123.0° |
| C20 | C21 | H211 | H213 | 120.0° | 122.1° |
| C20 | C21 | H212 | H213 | 120.0° | 121.2° |
| C21 | C20 | C22 | C26 | 165.7° | 61.5° |
| C21 | C20 | C22 | H221 | 45.8° | 60.7° |
| C21 | C20 | C22 | H222 | 78.7° | 175.6° |
| C21 | C20 | C30 | N3 | 31.5° | 0.0° |
| C21 | C20 | C30 | O4 | 152.0° | 180.0° |
| C20 | N6 | HN61 | HN62 | 120.0° | 165.9° |
| N6 | C20 | C21 | H211 | 165.2° | 55.5° |
| N6 | C20 | C21 | H212 | 74.8° | 176.6° |
| N6 | C20 | C21 | H213 | 45.3° | 64.4° |
| N6 | C20 | C22 | C26 | 69.1° | 176.1° |
| N6 | C20 | C22 | H221 | 171.0° | 54.0° |
| N6 | C20 | C22 | H222 | 46.5° | 60.9° |
| N6 | C20 | C30 | N3 | 147.2° | 117.6° |
| N6 | C20 | C30 | O4 | 36.4° | 62.3° |
| H211 | C21 | H212 | H213 | 120.0° | 114.8° |
| C26 | C22 | H221 | H222 | 116.1° | 115.2° |
| C22 | C26 | C25 | C24 | 177.2° | 180.0° |
| C22 | C26 | C25 | C27 | 177.7° | 180.0° |
| C22 | C26 | C25 | H25 | 2.7° | 0.0° |
| C22 | C26 | C27 | C28 | 177.5° | 180.0° |
| C22 | C26 | C27 | H27 | 2.5° | 0.0° |
| H221 | C22 | C26 | C25 | 25.2° | 33.1° |
| H221 | C22 | C26 | C27 | 157.1° | 146.9° |
| H222 | C22 | C26 | C25 | 149.7° | 146.1° |
| H222 | C22 | C26 | C27 | 32.6° | 33.9° |
| C24 | C23 | C28 | H23 | 180.0° | 180.0° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 0.9° | 0.0° |
| C23 | C24 | C25 | H25 | 179.1° | 180.0° |
| C24 | C23 | C28 | C27 | 0.8° | 0.0° |
| C24 | C23 | C28 | H28 | 179.2° | 180.0° |
| C28 | C23 | C24 | C25 | 1.1° | 0.0° |
| C28 | C23 | C24 | H24 | 178.9° | 180.0° |
| C23 | C28 | C27 | C26 | 0.3° | 0.0° |
| C23 | C28 | C27 | H28 | 180.0° | 180.0° |
| C23 | C28 | C27 | H27 | 179.7° | 180.0° |
| H23 | C23 | C24 | C25 | 178.9° | 180.0° |
| H23 | C23 | C24 | H24 | 1.1° | 0.0° |
| H23 | C23 | C28 | C27 | 179.2° | 180.0° |
| H23 | C23 | C28 | H28 | 0.8° | 0.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.4° | 0.0° |
| H24 | C24 | C25 | C26 | 179.1° | 180.0° |
| H24 | C24 | C25 | H25 | 0.9° | 0.1° |
| C25 | C26 | C27 | C28 | 0.1° | 0.0° |
| C25 | C26 | C27 | H27 | 179.9° | 180.0° |
| H25 | C25 | C26 | C27 | 179.6° | 180.0° |
| C26 | C27 | C28 | H27 | 180.0° | 180.0° |
| C26 | C27 | C28 | H28 | 179.7° | 180.0° |
| H27 | C27 | C28 | H28 | 0.3° | 0.0° |
| N3 | N4 | C29 | O4 | 1.6° | 0.0° |
| N4 | N3 | C30 | O4 | 0.3° | 0.0° |
| C30 | N3 | N4 | C29 | 1.2° | 0.0° |
| N3 | C30 | O4 | C29 | 0.8° | 0.0° |
| N4 | C29 | O4 | C30 | 1.4° | 0.0° |
| C6 | C1 | H11 | H12 | 119.6° | 121.8° |
| C1 | C6 | C5 | C7 | 96.7° | 108.6° |
| C1 | C6 | C5 | H6 | 131.2° | 143.3° |
| C1 | C6 | C5 | C8 | 151.4° | 142.5° |
| C1 | C6 | C5 | H5 | 23.7° | 1.2° |
| C1 | C6 | C7 | H6 | 125.9° | 141.9° |
| C1 | C6 | C7 | H71 | 124.5° | 0.0° |
| C1 | C6 | C7 | H72 | 11.2° | 144.3° |
| H11 | C1 | C6 | C5 | 149.9° | 129.8° |
| H11 | C1 | C6 | C7 | 83.6° | 60.0° |
| H11 | C1 | C6 | H6 | 65.0° | 84.2° |
| H12 | C1 | C6 | C5 | 29.4° | 9.2° |
| H12 | C1 | C6 | C7 | 36.9° | 60.7° |
| H12 | C1 | C6 | H6 | 174.5° | 155.1° |
| C3 | C2 | H21 | H22 | 118.7° | 122.1° |
| C2 | C3 | O1 | H31 | 120.0° | 119.7° |
| C2 | C3 | O1 | H32 | 118.8° | 122.1° |
| C2 | C3 | H31 | H32 | 118.9° | 122.7° |
| C2 | C3 | O1 | C4 | 81.9° | 179.7° |
| H21 | C2 | C3 | O1 | 55.9° | 61.9° |
| H21 | C2 | C3 | H31 | 64.1° | 179.7° |
| H21 | C2 | C3 | H32 | 174.7° | 58.5° |
| H22 | C2 | C3 | O1 | 177.3° | 59.4° |
| H22 | C2 | C3 | H31 | 57.3° | 59.0° |
| H22 | C2 | C3 | H32 | 63.9° | 179.8° |
| O1 | C3 | H31 | H32 | 118.9° | 118.0° |
| C3 | O1 | C4 | H41 | 65.9° | 134.7° |
| C3 | O1 | C4 | H42 | 174.1° | 104.4° |
| C3 | O1 | C4 | H43 | 54.1° | 15.2° |
| H31 | C3 | O1 | C4 | 38.1° | 60.0° |
| H32 | C3 | O1 | C4 | 159.3° | 58.2° |
| O1 | C4 | H41 | H42 | 120.0° | 120.5° |
| O1 | C4 | H41 | H43 | 120.0° | 119.3° |
| O1 | C4 | H42 | H43 | 120.0° | 119.3° |
| H41 | C4 | H42 | H43 | 120.0° | 120.2° |
| C6 | C5 | C7 | C8 | 97.5° | 108.5° |
| C6 | C5 | C7 | H5 | 130.6° | 109.3° |
| C6 | C5 | C8 | H5 | 148.4° | 146.1° |
| C5 | C6 | C7 | H6 | 118.6° | 109.5° |
| C6 | C5 | C7 | H71 | 120.0° | 107.0° |
| C6 | C5 | C7 | H72 | 126.7° | 108.9° |
| C6 | C5 | C8 | H81 | 119.3° | 152.5° |
| C6 | C5 | C8 | H82 | 120.7° | 87.4° |
| C6 | C5 | C8 | H83 | 0.7° | 32.6° |
| C7 | C5 | C8 | H5 | 145.9° | 144.2° |
| C5 | C7 | H71 | H72 | 138.5° | 145.3° |
| C7 | C5 | C8 | H81 | 53.6° | 82.8° |
| C7 | C5 | C8 | H82 | 173.6° | 157.1° |
| C7 | C5 | C8 | H83 | 66.4° | 37.1° |
| C8 | C5 | C6 | H6 | 20.2° | 0.9° |
| C8 | C5 | C7 | H71 | 22.5° | 144.5° |
| C8 | C5 | C7 | H72 | 135.8° | 0.4° |
| C5 | C8 | H81 | H82 | 120.0° | 121.4° |
| C5 | C8 | H81 | H83 | 120.0° | 121.3° |
| C5 | C8 | H82 | H83 | 120.0° | 121.3° |
| H5 | C5 | C6 | H6 | 107.5° | 144.6° |
| H5 | C5 | C7 | H71 | 109.3° | 2.4° |
| H5 | C5 | C7 | H72 | 3.9° | 141.8° |
| H5 | C5 | C8 | H81 | 92.3° | 61.4° |
| H5 | C5 | C8 | H82 | 27.7° | 58.7° |
| H5 | C5 | C8 | H83 | 147.7° | 178.7° |
| C6 | C7 | H71 | H72 | 138.5° | 145.9° |
| H6 | C6 | C7 | H71 | 1.4° | 141.8° |
| H6 | C6 | C7 | H72 | 114.7° | 2.5° |
| H81 | C8 | H82 | H83 | 120.0° | 117.3° |
