99A
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C8 | sing | 1.51Å | 1.55Å | |
| C8 | C9 | sing | 1.38Å | 1.40Å | Aromatic |
| C8 | C7 | doub | 1.40Å | 1.43Å | Aromatic |
| C9 | C10 | doub | 1.40Å | 1.41Å | Aromatic |
| C10 | C14 | sing | 1.48Å | 1.53Å | |
| C10 | C11 | sing | 1.40Å | 1.42Å | Aromatic |
| C14 | O2 | doub | 1.22Å | 1.24Å | |
| C14 | N2 | sing | 1.35Å | 1.33Å | |
| C11 | C13 | sing | 1.51Å | 1.54Å | |
| C11 | C12 | doub | 1.38Å | 1.37Å | Aromatic |
| C12 | C7 | sing | 1.40Å | 1.39Å | Aromatic |
| C7 | C6 | sing | 1.48Å | 1.54Å | |
| C6 | O1 | doub | 1.22Å | 1.24Å | |
| C6 | N1 | sing | 1.35Å | 1.32Å | |
| N1 | C5 | sing | 1.46Å | 1.46Å | |
| C5 | C30 | sing | 1.53Å | 1.57Å | |
| C5 | C4 | sing | 1.53Å | 1.54Å | |
| C30 | C29 | sing | 1.54Å | 1.56Å | |
| C4 | C1 | sing | 1.54Å | 1.54Å | |
| C1 | C2 | sing | 1.55Å | 1.55Å | |
| C1 | N3 | sing | 1.49Å | 1.50Å | |
| C2 | C3 | sing | 1.54Å | 1.55Å | |
| C3 | C29 | sing | 1.55Å | 1.55Å | |
| C29 | N3 | sing | 1.49Å | 1.43Å | |
| N3 | C16 | sing | 1.39Å | 1.40Å | |
| C16 | C17 | sing | 1.39Å | 1.41Å | Aromatic |
| C16 | N5 | doub | 1.33Å | 1.34Å | Aromatic |
| C17 | C18 | doub | 1.37Å | 1.38Å | Aromatic |
| C18 | C19 | sing | 1.40Å | 1.39Å | Aromatic |
| N5 | C28 | sing | 1.32Å | 1.33Å | Aromatic |
| C28 | C19 | doub | 1.40Å | 1.39Å | Aromatic |
| C19 | C20 | sing | 1.48Å | 1.52Å | |
| C20 | O3 | doub | 1.22Å | 1.23Å | |
| C20 | N4 | sing | 1.35Å | 1.36Å | |
| N4 | C21 | sing | 1.47Å | 1.48Å | |
| C21 | C22 | sing | 1.51Å | 1.53Å | |
| C22 | C23 | sing | 1.38Å | 1.40Å | Aromatic |
| C22 | C27 | doub | 1.38Å | 1.41Å | Aromatic |
| C23 | C24 | doub | 1.38Å | 1.40Å | Aromatic |
| C24 | C25 | sing | 1.38Å | 1.40Å | Aromatic |
| C25 | C26 | doub | 1.38Å | 1.41Å | Aromatic |
| C26 | C27 | sing | 1.38Å | 1.40Å | Aromatic |
| C15 | H151 | sing | 1.09Å | 1.10Å | |
| C15 | H152 | sing | 1.09Å | 1.10Å | |
| C15 | H153 | sing | 1.09Å | 1.10Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å | |
| N2 | H21N | sing | 0.97Å | 1.00Å | |
| N2 | H22N | sing | 0.97Å | 1.00Å | |
| C13 | H131 | sing | 1.09Å | 1.10Å | |
| C13 | H132 | sing | 1.09Å | 1.10Å | |
| C13 | H133 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.08Å | 1.08Å | |
| N1 | H1 | sing | 0.97Å | 1.00Å | |
| C30 | H301 | sing | 1.09Å | 1.10Å | |
| C30 | H302 | sing | 1.09Å | 1.10Å | |
| C4 | H41C | sing | 1.09Å | 1.10Å | |
| C4 | H42C | sing | 1.09Å | 1.10Å | |
| C29 | H29 | sing | 1.09Å | 1.10Å | |
| C1 | HA | sing | 1.09Å | 1.10Å | |
| C2 | H21C | sing | 1.09Å | 1.10Å | |
| C2 | H22C | sing | 1.09Å | 1.10Å | |
| C3 | H31C | sing | 1.09Å | 1.10Å | |
| C3 | H32C | sing | 1.09Å | 1.10Å | |
| C17 | H17 | sing | 1.08Å | 1.08Å | |
| C18 | H18 | sing | 1.08Å | 1.08Å | |
| C28 | H28 | sing | 1.08Å | 1.08Å | |
| N4 | H4 | sing | 0.97Å | 1.00Å | |
| C21 | H211 | sing | 1.09Å | 1.10Å | |
| C21 | H212 | sing | 1.09Å | 1.10Å | |
| C23 | H23 | sing | 1.08Å | 1.08Å | |
| C27 | H27 | sing | 1.08Å | 1.08Å | |
| C24 | H24 | sing | 1.08Å | 1.08Å | |
| C25 | H25 | sing | 1.08Å | 1.08Å | |
| C26 | H26 | sing | 1.08Å | 1.08Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C15 | C8 | C9 | 116.0° | 120.0° |
| C15 | C8 | C7 | 124.7° | 120.0° |
| C8 | C15 | H151 | 109.5° | 109.5° |
| C8 | C15 | H152 | 109.5° | 109.5° |
| C8 | C15 | H153 | 109.5° | 109.4° |
| C9 | C8 | C7 | 119.2° | 120.0° |
| C8 | C9 | C10 | 118.2° | 120.0° |
| C8 | C9 | H9 | 120.9° | 120.0° |
| C8 | C7 | C12 | 120.9° | 120.0° |
| C8 | C7 | C6 | 121.0° | 120.0° |
| C9 | C10 | C14 | 116.9° | 120.0° |
| C9 | C10 | C11 | 121.9° | 120.0° |
| C10 | C9 | H9 | 120.9° | 120.0° |
| C14 | C10 | C11 | 120.9° | 120.0° |
| C10 | C14 | O2 | 116.1° | 120.0° |
| C10 | C14 | N2 | 117.2° | 120.0° |
| C10 | C11 | C13 | 125.3° | 120.0° |
| C10 | C11 | C12 | 118.9° | 120.0° |
| O2 | C14 | N2 | 126.6° | 120.0° |
| C14 | N2 | H21N | 120.0° | 120.0° |
| C14 | N2 | H22N | 120.0° | 120.0° |
| C13 | C11 | C12 | 115.8° | 120.0° |
| C11 | C13 | H131 | 109.5° | 109.5° |
| C11 | C13 | H132 | 109.5° | 109.5° |
| C11 | C13 | H133 | 109.5° | 109.5° |
| C11 | C12 | C7 | 120.7° | 120.0° |
| C11 | C12 | H12 | 119.7° | 120.0° |
| C12 | C7 | C6 | 118.0° | 120.0° |
| C7 | C12 | H12 | 119.6° | 120.0° |
| C7 | C6 | O1 | 127.8° | 120.0° |
| C7 | C6 | N1 | 106.2° | 120.0° |
| O1 | C6 | N1 | 125.9° | 120.0° |
| C6 | N1 | C5 | 129.6° | 120.0° |
| C6 | N1 | H1 | 115.2° | 120.0° |
| N1 | C5 | C30 | 120.9° | 109.5° |
| N1 | C5 | C4 | 121.9° | 109.4° |
| C5 | N1 | H1 | 115.2° | 120.0° |
| N1 | C5 | H5 | 90.4° | 109.4° |
| C30 | C5 | C4 | 117.2° | 109.7° |
| C5 | C30 | C29 | 101.0° | 108.9° |
| C5 | C30 | H301 | 111.6° | 109.6° |
| C5 | C30 | H302 | 111.5° | 109.6° |
| C30 | C5 | H5 | 90.4° | 109.4° |
| C5 | C4 | C1 | 102.0° | 108.9° |
| C5 | C4 | H41C | 111.3° | 109.6° |
| C5 | C4 | H42C | 111.3° | 109.5° |
| C4 | C5 | H5 | 90.4° | 109.4° |
| C30 | C29 | C3 | 115.1° | 107.8° |
| C30 | C29 | N3 | 102.8° | 107.3° |
| C29 | C30 | H301 | 111.6° | 109.5° |
| C29 | C30 | H302 | 111.5° | 109.5° |
| C30 | C29 | H29 | 111.4° | 112.1° |
| C4 | C1 | C2 | 112.1° | 107.8° |
| C4 | C1 | N3 | 103.1° | 107.2° |
| C1 | C4 | H41C | 111.3° | 109.6° |
| C1 | C4 | H42C | 111.3° | 109.6° |
| C4 | C1 | HA | 113.6° | 112.1° |
| C2 | C1 | N3 | 99.0° | 104.3° |
| C1 | C2 | C3 | 108.2° | 104.8° |
| C2 | C1 | HA | 113.5° | 112.2° |
| C1 | C2 | H21C | 109.8° | 110.3° |
| C1 | C2 | H22C | 109.8° | 110.4° |
| C1 | N3 | C29 | 111.3° | 103.4° |
| C1 | N3 | C16 | 124.8° | 111.0° |
| N3 | C1 | HA | 114.3° | 112.7° |
| C2 | C3 | C29 | 104.4° | 104.9° |
| C3 | C2 | H21C | 109.8° | 110.3° |
| C3 | C2 | H22C | 109.8° | 110.4° |
| C2 | C3 | H31C | 110.7° | 110.4° |
| C2 | C3 | H32C | 110.7° | 110.3° |
| C3 | C29 | N3 | 102.0° | 104.2° |
| C3 | C29 | H29 | 111.5° | 112.2° |
| C29 | C3 | H31C | 110.7° | 110.3° |
| C29 | C3 | H32C | 110.7° | 110.4° |
| C29 | N3 | C16 | 123.2° | 111.0° |
| N3 | C29 | H29 | 113.5° | 112.8° |
| N3 | C16 | C17 | 119.8° | 119.5° |
| N3 | C16 | N5 | 119.2° | 119.5° |
| C17 | C16 | N5 | 120.8° | 120.9° |
| C16 | C17 | C18 | 119.8° | 119.4° |
| C16 | C17 | H17 | 120.1° | 120.3° |
| C16 | N5 | C28 | 120.4° | 121.6° |
| C17 | C18 | C19 | 117.6° | 118.5° |
| C18 | C17 | H17 | 120.1° | 120.4° |
| C17 | C18 | H18 | 121.2° | 120.7° |
| C18 | C19 | C28 | 120.1° | 119.0° |
| C18 | C19 | C20 | 121.4° | 120.5° |
| C19 | C18 | H18 | 121.2° | 120.7° |
| N5 | C28 | C19 | 121.2° | 120.5° |
| N5 | C28 | H28 | 119.4° | 119.8° |
| C28 | C19 | C20 | 118.4° | 120.5° |
| C19 | C28 | H28 | 119.4° | 119.7° |
| C19 | C20 | O3 | 120.2° | 120.0° |
| C19 | C20 | N4 | 115.3° | 120.0° |
| O3 | C20 | N4 | 124.1° | 120.0° |
| C20 | N4 | C21 | 121.0° | 120.0° |
| C20 | N4 | H4 | 119.5° | 120.0° |
| N4 | C21 | C22 | 115.2° | 109.4° |
| C21 | N4 | H4 | 119.5° | 120.0° |
| N4 | C21 | H211 | 108.0° | 109.5° |
| N4 | C21 | H212 | 108.0° | 109.5° |
| C21 | C22 | C23 | 116.3° | 120.0° |
| C21 | C22 | C27 | 123.4° | 120.0° |
| C22 | C21 | H211 | 108.0° | 109.5° |
| C22 | C21 | H212 | 108.0° | 109.5° |
| C23 | C22 | C27 | 120.1° | 120.0° |
| C22 | C23 | C24 | 121.2° | 120.0° |
| C22 | C23 | H23 | 119.4° | 120.0° |
| C22 | C27 | C26 | 118.7° | 120.0° |
| C22 | C27 | H27 | 120.6° | 119.9° |
| C23 | C24 | C25 | 118.5° | 120.0° |
| C24 | C23 | H23 | 119.4° | 120.0° |
| C23 | C24 | H24 | 120.8° | 120.0° |
| C24 | C25 | C26 | 121.3° | 120.0° |
| C25 | C24 | H24 | 120.8° | 120.1° |
| C24 | C25 | H25 | 119.4° | 119.9° |
| C25 | C26 | C27 | 120.1° | 120.0° |
| C26 | C25 | H25 | 119.4° | 120.0° |
| C25 | C26 | H26 | 119.9° | 120.0° |
| C26 | C27 | H27 | 120.6° | 120.0° |
| C27 | C26 | H26 | 119.9° | 120.0° |
| H151 | C15 | H152 | 109.5° | 109.5° |
| H151 | C15 | H153 | 109.5° | 109.4° |
| H152 | C15 | H153 | 109.5° | 109.5° |
| H21N | N2 | H22N | 120.0° | 120.0° |
| H131 | C13 | H132 | 109.5° | 109.4° |
| H131 | C13 | H133 | 109.5° | 109.4° |
| H132 | C13 | H133 | 109.5° | 109.5° |
| H301 | C30 | H302 | 109.5° | 109.7° |
| H41C | C4 | H42C | 109.5° | 109.6° |
| H21C | C2 | H22C | 109.5° | 110.5° |
| H31C | C3 | H32C | 109.5° | 110.5° |
| H211 | C21 | H212 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C15 | C8 | C9 | C7 | 176.4° | 179.7° |
| C15 | C8 | C9 | C10 | 177.5° | 179.9° |
| C15 | C8 | C7 | C12 | 177.5° | 179.7° |
| C15 | C8 | C7 | C6 | 5.1° | 0.1° |
| C8 | C15 | H151 | H152 | 120.0° | 120.0° |
| C8 | C15 | H151 | H153 | 120.0° | 119.9° |
| C8 | C15 | H152 | H153 | 120.0° | 120.0° |
| C15 | C8 | C9 | H9 | 2.5° | 0.0° |
| C8 | C9 | C10 | H9 | 180.0° | 179.9° |
| C8 | C9 | C10 | C14 | 175.3° | 180.0° |
| C8 | C9 | C10 | C11 | 1.4° | 0.1° |
| C9 | C8 | C7 | C12 | 1.4° | 0.6° |
| C9 | C8 | C7 | C6 | 178.9° | 179.8° |
| C9 | C8 | C15 | H151 | 91.6° | 97.7° |
| C9 | C8 | C15 | H152 | 148.4° | 142.3° |
| C9 | C8 | C15 | H153 | 28.4° | 22.2° |
| C7 | C8 | C9 | C10 | 1.2° | 0.2° |
| C8 | C7 | C12 | C11 | 1.0° | 0.6° |
| C8 | C7 | C12 | C6 | 177.5° | 179.7° |
| C8 | C7 | C6 | O1 | 122.3° | 1.9° |
| C8 | C7 | C6 | N1 | 61.4° | 178.2° |
| C7 | C8 | C15 | H151 | 92.3° | 82.6° |
| C7 | C8 | C15 | H152 | 27.8° | 37.5° |
| C7 | C8 | C15 | H153 | 147.7° | 157.5° |
| C7 | C8 | C9 | H9 | 178.9° | 179.7° |
| C8 | C7 | C12 | H12 | 179.1° | 179.8° |
| C9 | C10 | C14 | C11 | 174.0° | 179.9° |
| C9 | C10 | C14 | O2 | 118.0° | 178.5° |
| C9 | C10 | C14 | N2 | 60.0° | 1.5° |
| C9 | C10 | C11 | C13 | 178.7° | 179.9° |
| C9 | C10 | C11 | C12 | 3.8° | 0.1° |
| C10 | C14 | O2 | N2 | 177.8° | 180.0° |
| C14 | C10 | C11 | C13 | 5.0° | 0.0° |
| C14 | C10 | C11 | C12 | 177.5° | 180.0° |
| C14 | C10 | C9 | H9 | 4.6° | 0.0° |
| C10 | C14 | N2 | H21N | 177.8° | 0.0° |
| C10 | C14 | N2 | H22N | 2.2° | 180.0° |
| C11 | C10 | C14 | O2 | 55.9° | 1.5° |
| C11 | C10 | C14 | N2 | 126.0° | 178.5° |
| C10 | C11 | C13 | C12 | 177.6° | 180.0° |
| C10 | C11 | C12 | C7 | 3.5° | 0.3° |
| C11 | C10 | C9 | H9 | 178.5° | 180.0° |
| C10 | C11 | C13 | H131 | 88.5° | 82.0° |
| C10 | C11 | C13 | H132 | 151.5° | 158.0° |
| C10 | C11 | C13 | H133 | 31.5° | 38.0° |
| C10 | C11 | C12 | H12 | 176.5° | 179.9° |
| O2 | C14 | N2 | H21N | 0.0° | 180.0° |
| O2 | C14 | N2 | H22N | 180.0° | 0.1° |
| C14 | N2 | H21N | H22N | 179.9° | 179.9° |
| C13 | C11 | C12 | C7 | 178.8° | 179.7° |
| C11 | C13 | H131 | H132 | 120.0° | 120.0° |
| C11 | C13 | H131 | H133 | 120.0° | 120.0° |
| C11 | C13 | H132 | H133 | 120.0° | 120.1° |
| C13 | C11 | C12 | H12 | 1.2° | 0.1° |
| C11 | C12 | C7 | H12 | 180.0° | 179.6° |
| C11 | C12 | C7 | C6 | 176.6° | 179.7° |
| C12 | C11 | C13 | H131 | 89.0° | 98.0° |
| C12 | C11 | C13 | H132 | 31.0° | 22.0° |
| C12 | C11 | C13 | H133 | 151.0° | 142.0° |
| C12 | C7 | C6 | O1 | 60.1° | 178.4° |
| C12 | C7 | C6 | N1 | 116.2° | 1.5° |
| C7 | C6 | O1 | N1 | 175.6° | 179.9° |
| C7 | C6 | N1 | C5 | 174.7° | 179.9° |
| C6 | C7 | C12 | H12 | 3.4° | 0.1° |
| C7 | C6 | N1 | H1 | 5.3° | 0.0° |
| O1 | C6 | N1 | C5 | 8.9° | 0.0° |
| O1 | C6 | N1 | H1 | 171.1° | 179.9° |
| C6 | N1 | C5 | H1 | 180.0° | 179.9° |
| C6 | N1 | C5 | C30 | 154.7° | 120.0° |
| C6 | N1 | C5 | C4 | 26.8° | 119.7° |
| C6 | N1 | C5 | H5 | 64.0° | 0.1° |
| N1 | C5 | C30 | C4 | 178.5° | 120.1° |
| N1 | C5 | C30 | H5 | 90.8° | 119.9° |
| N1 | C5 | C4 | H5 | 90.8° | 119.8° |
| N1 | C5 | C30 | C29 | 117.4° | 66.1° |
| N1 | C5 | C4 | C1 | 117.6° | 66.0° |
| N1 | C5 | C30 | H301 | 1.2° | 53.7° |
| N1 | C5 | C30 | H302 | 124.0° | 174.2° |
| N1 | C5 | C4 | H41C | 123.6° | 174.1° |
| N1 | C5 | C4 | H42C | 1.2° | 53.8° |
| C30 | C5 | C4 | H5 | 90.7° | 120.1° |
| C5 | C30 | C29 | H301 | 118.6° | 119.8° |
| C5 | C30 | C29 | H302 | 118.6° | 119.8° |
| C30 | C5 | C4 | C1 | 60.9° | 54.1° |
| C5 | C30 | C29 | C3 | 48.0° | 47.6° |
| C5 | C30 | C29 | N3 | 62.0° | 64.1° |
| C30 | C5 | N1 | H1 | 25.2° | 59.9° |
| C5 | C30 | H301 | H302 | 123.9° | 120.4° |
| C30 | C5 | C4 | H41C | 57.8° | 65.8° |
| C30 | C5 | C4 | H42C | 179.7° | 173.9° |
| C5 | C30 | C29 | H29 | 176.1° | 171.6° |
| C4 | C5 | C30 | C29 | 61.1° | 54.0° |
| C5 | C4 | C1 | H41C | 118.8° | 119.9° |
| C5 | C4 | C1 | H42C | 118.8° | 119.8° |
| C5 | C4 | C1 | C2 | 45.7° | 47.6° |
| C5 | C4 | C1 | N3 | 59.8° | 64.1° |
| C4 | C5 | N1 | H1 | 153.2° | 60.4° |
| C4 | C5 | C30 | H301 | 179.8° | 173.8° |
| C4 | C5 | C30 | H302 | 57.5° | 65.7° |
| C5 | C4 | H41C | H42C | 123.5° | 120.3° |
| C5 | C4 | C1 | HA | 176.0° | 171.6° |
| C30 | C29 | N3 | C1 | 79.0° | 72.5° |
| C30 | C29 | C3 | C2 | 85.2° | 88.6° |
| C30 | C29 | C3 | N3 | 110.5° | 113.7° |
| C30 | C29 | C3 | H29 | 128.1° | 123.9° |
| C30 | C29 | N3 | H29 | 120.4° | 123.9° |
| C30 | C29 | N3 | C16 | 91.6° | 46.5° |
| C29 | C30 | H301 | H302 | 123.9° | 120.2° |
| C30 | C29 | C3 | H31C | 155.6° | 152.6° |
| C30 | C29 | C3 | H32C | 34.0° | 30.3° |
| C29 | C30 | C5 | H5 | 151.8° | 174.0° |
| C4 | C1 | C2 | N3 | 108.2° | 113.7° |
| C4 | C1 | C2 | HA | 130.4° | 124.0° |
| C4 | C1 | N3 | HA | 123.8° | 123.9° |
| C4 | C1 | C2 | C3 | 90.4° | 88.6° |
| C4 | C1 | N3 | C29 | 78.3° | 72.5° |
| C4 | C1 | N3 | C16 | 92.3° | 46.5° |
| C1 | C4 | H41C | H42C | 123.5° | 120.3° |
| C4 | C1 | C2 | H21C | 149.8° | 152.7° |
| C4 | C1 | C2 | H22C | 29.4° | 30.3° |
| C1 | C4 | C5 | H5 | 151.7° | 174.1° |
| C2 | C1 | N3 | HA | 120.9° | 122.0° |
| C1 | C2 | C3 | H21C | 119.8° | 118.8° |
| C1 | C2 | C3 | H22C | 119.8° | 118.8° |
| C1 | C2 | C3 | C29 | 3.9° | 0.0° |
| C2 | C1 | N3 | C29 | 37.1° | 41.6° |
| C2 | C1 | N3 | C16 | 152.4° | 160.7° |
| C2 | C1 | C4 | H41C | 164.5° | 167.5° |
| C2 | C1 | C4 | H42C | 73.1° | 72.2° |
| C1 | C2 | H21C | H22C | 120.5° | 122.3° |
| C1 | C2 | C3 | H31C | 115.3° | 118.8° |
| C1 | C2 | C3 | H32C | 123.0° | 118.8° |
| N3 | C1 | C2 | C3 | 17.8° | 25.2° |
| C1 | N3 | C29 | C3 | 40.5° | 41.6° |
| C1 | N3 | C29 | C16 | 170.7° | 119.1° |
| C1 | N3 | C16 | C17 | 176.6° | 152.1° |
| C1 | N3 | C16 | N5 | 1.2° | 27.7° |
| N3 | C1 | C4 | H41C | 59.0° | 55.8° |
| N3 | C1 | C4 | H42C | 178.6° | 176.1° |
| C1 | N3 | C29 | H29 | 160.5° | 163.6° |
| N3 | C1 | C2 | H21C | 102.0° | 93.6° |
| N3 | C1 | C2 | H22C | 137.6° | 144.0° |
| C2 | C3 | C29 | H31C | 119.2° | 118.8° |
| C2 | C3 | C29 | H32C | 119.2° | 118.8° |
| C2 | C3 | C29 | N3 | 25.3° | 25.2° |
| C2 | C3 | C29 | H29 | 146.8° | 147.5° |
| C3 | C2 | C1 | HA | 139.3° | 147.5° |
| C3 | C2 | H21C | H22C | 120.6° | 122.3° |
| C2 | C3 | H31C | H32C | 122.4° | 122.3° |
| C3 | C29 | N3 | H29 | 120.0° | 122.0° |
| C3 | C29 | N3 | C16 | 148.8° | 160.7° |
| C3 | C29 | C30 | H301 | 70.7° | 72.2° |
| C3 | C29 | C30 | H302 | 166.6° | 167.4° |
| C29 | C3 | C2 | H21C | 123.7° | 118.8° |
| C29 | C3 | C2 | H22C | 115.9° | 118.8° |
| C29 | C3 | H31C | H32C | 122.3° | 122.3° |
| C29 | N3 | C16 | C17 | 7.2° | 37.7° |
| C29 | N3 | C16 | N5 | 168.2° | 142.1° |
| N3 | C29 | C30 | H301 | 179.3° | 176.1° |
| N3 | C29 | C30 | H302 | 56.6° | 55.7° |
| C29 | N3 | C1 | HA | 157.9° | 163.6° |
| N3 | C29 | C3 | H31C | 93.8° | 93.7° |
| N3 | C29 | C3 | H32C | 144.5° | 144.0° |
| N3 | C16 | C17 | N5 | 175.3° | 179.8° |
| N3 | C16 | C17 | C18 | 177.3° | 180.0° |
| N3 | C16 | N5 | C28 | 177.5° | 179.9° |
| C16 | N3 | C29 | H29 | 28.8° | 77.4° |
| C16 | N3 | C1 | HA | 31.6° | 77.4° |
| N3 | C16 | C17 | H17 | 2.7° | 0.1° |
| C16 | C17 | C18 | H17 | 180.0° | 179.9° |
| C16 | C17 | C18 | C19 | 0.4° | 0.1° |
| C17 | C16 | N5 | C28 | 2.1° | 0.3° |
| C16 | C17 | C18 | H18 | 179.6° | 180.0° |
| N5 | C16 | C17 | C18 | 1.9° | 0.2° |
| C16 | N5 | C28 | C19 | 0.8° | 0.0° |
| N5 | C16 | C17 | H17 | 178.1° | 179.7° |
| C16 | N5 | C28 | H28 | 179.2° | 180.0° |
| C17 | C18 | C19 | H18 | 180.0° | 179.9° |
| C17 | C18 | C19 | C28 | 0.9° | 0.3° |
| C17 | C18 | C19 | C20 | 177.7° | 179.9° |
| C18 | C19 | C28 | N5 | 0.7° | 0.2° |
| C18 | C19 | C28 | C20 | 178.6° | 179.8° |
| C18 | C19 | C20 | O3 | 176.7° | 0.0° |
| C18 | C19 | C20 | N4 | 3.7° | 180.0° |
| C19 | C18 | C17 | H17 | 179.6° | 180.0° |
| C18 | C19 | C28 | H28 | 179.3° | 179.7° |
| N5 | C28 | C19 | H28 | 180.0° | 180.0° |
| N5 | C28 | C19 | C20 | 177.9° | 180.0° |
| C28 | C19 | C20 | O3 | 1.8° | 179.7° |
| C28 | C19 | C20 | N4 | 174.9° | 0.2° |
| C28 | C19 | C18 | H18 | 179.2° | 179.8° |
| C19 | C20 | O3 | N4 | 172.5° | 179.9° |
| C19 | C20 | N4 | C21 | 176.0° | 180.0° |
| C20 | C19 | C18 | H18 | 2.3° | 0.0° |
| C20 | C19 | C28 | H28 | 2.1° | 0.0° |
| C19 | C20 | N4 | H4 | 4.0° | 0.1° |
| O3 | C20 | N4 | C21 | 3.2° | 0.1° |
| O3 | C20 | N4 | H4 | 176.8° | 180.0° |
| C20 | N4 | C21 | H4 | 180.0° | 179.9° |
| C20 | N4 | C21 | C22 | 74.3° | 180.0° |
| C20 | N4 | C21 | H211 | 46.5° | 60.0° |
| C20 | N4 | C21 | H212 | 164.8° | 60.1° |
| N4 | C21 | C22 | H211 | 120.8° | 120.0° |
| N4 | C21 | C22 | H212 | 120.8° | 120.0° |
| N4 | C21 | C22 | C23 | 168.0° | 90.1° |
| N4 | C21 | C22 | C27 | 15.1° | 90.3° |
| N4 | C21 | H211 | H212 | 117.4° | 120.0° |
| C21 | C22 | C23 | C27 | 177.0° | 179.7° |
| C21 | C22 | C23 | C24 | 180.0° | 180.0° |
| C21 | C22 | C27 | C26 | 178.9° | 179.8° |
| C22 | C21 | N4 | H4 | 105.6° | 0.0° |
| C22 | C21 | H211 | H212 | 117.4° | 120.0° |
| C21 | C22 | C23 | H23 | 0.0° | 0.1° |
| C21 | C22 | C27 | H27 | 1.1° | 0.0° |
| C22 | C23 | C24 | H23 | 180.0° | 179.9° |
| C22 | C23 | C24 | C25 | 2.8° | 0.1° |
| C23 | C22 | C27 | C26 | 2.1° | 0.5° |
| C23 | C22 | C21 | H211 | 47.2° | 29.9° |
| C23 | C22 | C21 | H212 | 71.2° | 150.0° |
| C23 | C22 | C27 | H27 | 177.9° | 179.7° |
| C22 | C23 | C24 | H24 | 177.2° | 179.9° |
| C27 | C22 | C23 | C24 | 3.0° | 0.3° |
| C22 | C27 | C26 | C25 | 1.1° | 0.4° |
| C22 | C27 | C26 | H27 | 180.0° | 179.8° |
| C27 | C22 | C21 | H211 | 135.9° | 149.7° |
| C27 | C22 | C21 | H212 | 105.7° | 29.7° |
| C27 | C22 | C23 | H23 | 177.0° | 179.7° |
| C22 | C27 | C26 | H26 | 178.9° | 179.7° |
| C23 | C24 | C25 | H24 | 180.0° | 180.0° |
| C23 | C24 | C25 | C26 | 1.7° | 0.0° |
| C23 | C24 | C25 | H25 | 178.3° | 180.0° |
| C24 | C25 | C26 | H25 | 180.0° | 180.0° |
| C24 | C25 | C26 | C27 | 0.9° | 0.1° |
| C25 | C24 | C23 | H23 | 177.3° | 180.0° |
| C24 | C25 | C26 | H26 | 179.1° | 179.9° |
| C25 | C26 | C27 | H26 | 180.0° | 179.9° |
| C25 | C26 | C27 | H27 | 178.9° | 179.8° |
| C26 | C25 | C24 | H24 | 178.3° | 180.0° |
| C27 | C26 | C25 | H25 | 179.1° | 179.9° |
| H151 | C15 | H152 | H153 | 120.0° | 120.0° |
| H131 | C13 | H132 | H133 | 120.0° | 119.9° |
| H1 | N1 | C5 | H5 | 116.0° | 179.8° |
| H301 | C30 | C29 | H29 | 57.5° | 51.8° |
| H301 | C30 | C5 | H5 | 89.5° | 66.2° |
| H302 | C30 | C29 | H29 | 65.3° | 68.6° |
| H302 | C30 | C5 | H5 | 33.2° | 54.3° |
| H41C | C4 | C1 | HA | 65.2° | 68.5° |
| H41C | C4 | C5 | H5 | 32.9° | 54.2° |
| H42C | C4 | C1 | HA | 57.2° | 51.9° |
| H42C | C4 | C5 | H5 | 89.6° | 66.1° |
| H29 | C29 | C3 | H31C | 27.6° | 28.7° |
| H29 | C29 | C3 | H32C | 94.1° | 93.7° |
| HA | C1 | C2 | H21C | 19.5° | 28.7° |
| HA | C1 | C2 | H22C | 100.9° | 93.7° |
| H21C | C2 | C3 | H31C | 4.5° | 0.0° |
| H21C | C2 | C3 | H32C | 117.1° | 122.4° |
| H22C | C2 | C3 | H31C | 124.9° | 122.4° |
| H22C | C2 | C3 | H32C | 3.2° | 0.0° |
| H17 | C17 | C18 | H18 | 0.4° | 0.1° |
| H4 | N4 | C21 | H211 | 133.5° | 120.0° |
| H4 | N4 | C21 | H212 | 15.2° | 120.0° |
| H23 | C23 | C24 | H24 | 2.8° | 0.0° |
| H27 | C27 | C26 | H26 | 1.1° | 0.2° |
| H24 | C24 | C25 | H25 | 1.7° | 0.0° |
| H25 | C25 | C26 | H26 | 0.9° | 0.1° |
