PRD_002253
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C15 | C16 | doub | 1.35Å | 1.54Å | Aromatic |
| C15 | N2 | sing | 1.37Å | 1.50Å | Aromatic |
| O2 | C12 | doub | 1.21Å | 1.22Å | |
| C16 | C14 | sing | 1.41Å | 1.53Å | Aromatic |
| C12 | N2 | sing | 1.35Å | 1.38Å | |
| C12 | C11 | sing | 1.51Å | 1.48Å | |
| N2 | C13 | sing | 1.37Å | 1.46Å | Aromatic |
| C14 | C13 | doub | 1.35Å | 1.55Å | Aromatic |
| O5 | C19 | doub | 1.21Å | 1.24Å | |
| C11 | C10 | sing | 1.53Å | 1.55Å | |
| C10 | N1 | sing | 1.47Å | 1.45Å | |
| C10 | C17 | sing | 1.51Å | 1.54Å | |
| C27 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C27 | C31 | sing | 1.39Å | 1.41Å | Aromatic |
| N3 | C17 | sing | 1.35Å | 1.36Å | |
| N3 | C18 | sing | 1.47Å | 1.38Å | |
| C25 | C26 | sing | 1.41Å | 1.41Å | Aromatic |
| C19 | C18 | sing | 1.51Å | 1.58Å | |
| C19 | N4 | sing | 1.35Å | 1.39Å | |
| C31 | C32 | doub | 1.36Å | 1.34Å | Aromatic |
| N1 | C1 | sing | 1.35Å | 1.38Å | |
| C20 | C18 | sing | 1.53Å | 1.55Å | |
| C20 | O4 | sing | 1.43Å | 1.39Å | |
| O1 | C1 | doub | 1.21Å | 1.21Å | |
| C17 | O3 | doub | 1.21Å | 1.22Å | |
| C1 | C2 | sing | 1.51Å | 1.52Å | |
| C28 | N4 | sing | 1.47Å | 1.44Å | |
| C28 | C29 | sing | 1.51Å | 1.54Å | |
| C26 | C29 | doub | 1.41Å | 1.40Å | Aromatic |
| C26 | C24 | sing | 1.42Å | 1.39Å | Aromatic |
| C32 | C24 | sing | 1.41Å | 1.40Å | Aromatic |
| O4 | C21 | sing | 1.43Å | 1.43Å | |
| C29 | C30 | sing | 1.36Å | 1.36Å | Aromatic |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C24 | C22 | doub | 1.41Å | 1.39Å | Aromatic |
| C9 | C8 | doub | 1.38Å | 1.38Å | Aromatic |
| C9 | C4 | sing | 1.38Å | 1.40Å | Aromatic |
| C30 | C23 | doub | 1.39Å | 1.41Å | Aromatic |
| C3 | C4 | sing | 1.51Å | 1.50Å | |
| C22 | C23 | sing | 1.36Å | 1.35Å | Aromatic |
| C8 | C7 | sing | 1.38Å | 1.39Å | Aromatic |
| C4 | C5 | doub | 1.38Å | 1.41Å | Aromatic |
| C7 | C6 | doub | 1.38Å | 1.40Å | Aromatic |
| C5 | C6 | sing | 1.38Å | 1.39Å | Aromatic |
| C14 | H15 | sing | 1.08Å | 1.08Å | |
| C27 | H28 | sing | 1.08Å | 1.08Å | |
| C20 | H20 | sing | 1.09Å | 1.10Å | |
| C20 | H21 | sing | 1.09Å | 1.10Å | |
| C21 | H22 | sing | 1.09Å | 1.10Å | |
| C21 | H23 | sing | 1.09Å | 1.10Å | |
| C21 | H24 | sing | 1.09Å | 1.10Å | |
| C32 | H34 | sing | 1.08Å | 1.08Å | |
| C22 | H25 | sing | 1.08Å | 1.08Å | |
| C23 | H26 | sing | 1.08Å | 1.08Å | |
| C25 | H27 | sing | 1.08Å | 1.08Å | |
| C15 | H16 | sing | 1.08Å | 1.08Å | |
| C31 | H33 | sing | 1.08Å | 1.08Å | |
| C16 | H17 | sing | 1.08Å | 1.08Å | |
| C13 | H14 | sing | 1.08Å | 1.08Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C18 | H19 | sing | 1.09Å | 1.10Å | |
| N4 | H29 | sing | 0.97Å | 1.00Å | |
| C28 | H30 | sing | 1.09Å | 1.10Å | |
| C28 | H31 | sing | 1.09Å | 1.10Å | |
| C30 | H32 | sing | 1.08Å | 1.08Å | |
| C10 | H11 | sing | 1.09Å | 1.10Å | |
| C11 | H12 | sing | 1.09Å | 1.10Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| N1 | H10 | sing | 0.97Å | 1.00Å | |
| C2 | H1 | sing | 1.09Å | 1.10Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.08Å | 1.08Å | |
| C6 | H6 | sing | 1.08Å | 1.08Å | |
| C7 | H7 | sing | 1.08Å | 1.08Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C9 | H9 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C16 | C15 | N2 | 105.4° | 108.1° |
| C15 | C16 | C14 | 104.5° | 107.6° |
| C16 | C15 | H16 | 127.3° | 126.0° |
| C15 | C16 | H17 | 127.7° | 126.2° |
| C15 | N2 | C12 | 120.5° | 125.7° |
| C15 | N2 | C13 | 111.3° | 108.6° |
| N2 | C15 | H16 | 127.3° | 125.9° |
| O2 | C12 | N2 | 118.5° | 119.9° |
| O2 | C12 | C11 | 121.2° | 120.1° |
| C16 | C14 | C13 | 106.3° | 107.6° |
| C16 | C14 | H15 | 126.9° | 126.2° |
| C14 | C16 | H17 | 127.7° | 126.2° |
| N2 | C12 | C11 | 120.3° | 120.0° |
| C12 | N2 | C13 | 128.3° | 125.7° |
| C12 | C11 | C10 | 112.0° | 109.5° |
| C12 | C11 | H12 | 108.8° | 109.5° |
| C12 | C11 | H13 | 108.9° | 109.5° |
| N2 | C13 | C14 | 105.7° | 108.1° |
| N2 | C13 | H14 | 127.2° | 125.9° |
| C13 | C14 | H15 | 126.8° | 126.2° |
| C14 | C13 | H14 | 127.2° | 125.9° |
| O5 | C19 | C18 | 120.0° | 120.0° |
| O5 | C19 | N4 | 120.4° | 120.0° |
| C11 | C10 | N1 | 113.0° | 109.5° |
| C11 | C10 | C17 | 104.6° | 109.5° |
| C11 | C10 | H11 | 109.3° | 109.5° |
| C10 | C11 | H12 | 108.9° | 109.5° |
| C10 | C11 | H13 | 108.8° | 109.5° |
| N1 | C10 | C17 | 109.4° | 109.4° |
| C10 | N1 | C1 | 121.3° | 120.0° |
| N1 | C10 | H11 | 110.8° | 109.5° |
| C10 | N1 | H10 | 119.4° | 120.0° |
| C10 | C17 | N3 | 117.1° | 120.0° |
| C10 | C17 | O3 | 122.7° | 120.0° |
| C17 | C10 | H11 | 109.5° | 109.4° |
| C25 | C27 | C31 | 121.0° | 121.1° |
| C27 | C25 | C26 | 120.1° | 119.6° |
| C25 | C27 | H28 | 119.5° | 119.4° |
| C27 | C25 | H27 | 120.0° | 120.2° |
| C27 | C31 | C32 | 120.1° | 121.0° |
| C31 | C27 | H28 | 119.5° | 119.5° |
| C27 | C31 | H33 | 120.0° | 119.5° |
| C17 | N3 | C18 | 124.2° | 120.0° |
| N3 | C17 | O3 | 120.3° | 120.0° |
| C17 | N3 | H18 | 117.9° | 120.0° |
| N3 | C18 | C19 | 107.2° | 109.4° |
| N3 | C18 | C20 | 104.7° | 109.5° |
| C18 | N3 | H18 | 117.9° | 120.0° |
| N3 | C18 | H19 | 113.9° | 109.5° |
| C25 | C26 | C29 | 121.8° | 121.3° |
| C25 | C26 | C24 | 117.7° | 119.4° |
| C26 | C25 | H27 | 120.0° | 120.2° |
| C18 | C19 | N4 | 119.6° | 120.0° |
| C19 | C18 | C20 | 109.3° | 109.5° |
| C19 | C18 | H19 | 110.5° | 109.5° |
| C19 | N4 | C28 | 123.6° | 120.0° |
| C19 | N4 | H29 | 118.2° | 120.0° |
| C31 | C32 | C24 | 119.6° | 119.6° |
| C31 | C32 | H34 | 120.2° | 120.2° |
| C32 | C31 | H33 | 120.0° | 119.5° |
| N1 | C1 | O1 | 117.8° | 120.0° |
| N1 | C1 | C2 | 121.9° | 120.0° |
| C1 | N1 | H10 | 119.3° | 120.0° |
| C18 | C20 | O4 | 108.2° | 109.5° |
| C18 | C20 | H20 | 109.8° | 109.5° |
| C18 | C20 | H21 | 109.8° | 109.5° |
| C20 | C18 | H19 | 111.0° | 109.5° |
| C20 | O4 | C21 | 113.8° | 114.0° |
| O4 | C20 | H20 | 109.8° | 109.5° |
| O4 | C20 | H21 | 109.8° | 109.4° |
| O1 | C1 | C2 | 120.3° | 120.0° |
| C1 | C2 | C3 | 113.4° | 109.5° |
| C1 | C2 | H1 | 108.5° | 109.5° |
| C1 | C2 | H2 | 108.5° | 109.5° |
| N4 | C28 | C29 | 117.0° | 109.5° |
| C28 | N4 | H29 | 118.2° | 120.0° |
| N4 | C28 | H30 | 107.5° | 109.4° |
| N4 | C28 | H31 | 107.5° | 109.5° |
| C28 | C29 | C26 | 122.0° | 120.2° |
| C28 | C29 | C30 | 120.3° | 120.1° |
| C29 | C28 | H30 | 107.6° | 109.4° |
| C29 | C28 | H31 | 107.5° | 109.5° |
| C29 | C26 | C24 | 120.5° | 119.3° |
| C26 | C29 | C30 | 117.6° | 119.7° |
| C26 | C24 | C32 | 121.6° | 119.4° |
| C26 | C24 | C22 | 120.2° | 119.4° |
| C32 | C24 | C22 | 118.2° | 121.2° |
| C24 | C32 | H34 | 120.2° | 120.2° |
| O4 | C21 | H22 | 109.5° | 109.5° |
| O4 | C21 | H23 | 109.5° | 109.5° |
| O4 | C21 | H24 | 109.5° | 109.4° |
| C29 | C30 | C23 | 121.6° | 121.0° |
| C29 | C30 | H32 | 119.2° | 119.5° |
| C2 | C3 | C4 | 113.5° | 109.5° |
| C3 | C2 | H1 | 108.5° | 109.5° |
| C3 | C2 | H2 | 108.5° | 109.4° |
| C2 | C3 | H3 | 108.4° | 109.5° |
| C2 | C3 | H4 | 108.4° | 109.5° |
| C24 | C22 | C23 | 119.7° | 119.6° |
| C24 | C22 | H25 | 120.1° | 120.2° |
| C8 | C9 | C4 | 121.1° | 120.0° |
| C9 | C8 | C7 | 120.3° | 120.0° |
| C9 | C8 | H8 | 119.8° | 120.0° |
| C8 | C9 | H9 | 119.5° | 120.0° |
| C9 | C4 | C3 | 120.4° | 120.0° |
| C9 | C4 | C5 | 118.4° | 120.0° |
| C4 | C9 | H9 | 119.5° | 120.0° |
| C30 | C23 | C22 | 120.4° | 121.0° |
| C30 | C23 | H26 | 119.8° | 119.5° |
| C23 | C30 | H32 | 119.2° | 119.5° |
| C3 | C4 | C5 | 121.2° | 120.0° |
| C4 | C3 | H3 | 108.5° | 109.4° |
| C4 | C3 | H4 | 108.4° | 109.4° |
| C23 | C22 | H25 | 120.2° | 120.2° |
| C22 | C23 | H26 | 119.8° | 119.5° |
| C8 | C7 | C6 | 119.7° | 120.0° |
| C8 | C7 | H7 | 120.2° | 120.0° |
| C7 | C8 | H8 | 119.9° | 120.0° |
| C4 | C5 | C6 | 120.6° | 120.0° |
| C4 | C5 | H5 | 119.7° | 120.0° |
| C7 | C6 | C5 | 120.0° | 120.0° |
| C7 | C6 | H6 | 120.0° | 120.0° |
| C6 | C7 | H7 | 120.2° | 120.0° |
| C6 | C5 | H5 | 119.8° | 120.0° |
| C5 | C6 | H6 | 120.0° | 120.0° |
| H20 | C20 | H21 | 109.4° | 109.5° |
| H22 | C21 | H23 | 109.4° | 109.5° |
| H22 | C21 | H24 | 109.5° | 109.4° |
| H23 | C21 | H24 | 109.4° | 109.5° |
| H30 | C28 | H31 | 109.5° | 109.5° |
| H12 | C11 | H13 | 109.5° | 109.5° |
| H1 | C2 | H2 | 109.5° | 109.5° |
| H3 | C3 | H4 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C16 | C15 | N2 | H16 | 179.9° | 179.7° |
| C15 | C16 | C14 | H17 | 180.0° | 179.6° |
| C16 | C15 | N2 | C12 | 167.7° | 179.9° |
| C16 | C15 | N2 | C13 | 12.1° | 0.4° |
| C15 | C16 | C14 | C13 | 26.1° | 0.2° |
| C15 | C16 | C14 | H15 | 153.9° | 179.8° |
| C15 | N2 | C12 | O2 | 0.0° | 179.7° |
| N2 | C15 | C16 | C14 | 23.3° | 0.4° |
| C15 | N2 | C12 | C13 | 179.7° | 179.7° |
| C15 | N2 | C12 | C11 | 179.1° | 0.3° |
| C15 | N2 | C13 | C14 | 4.2° | 0.2° |
| N2 | C15 | C16 | H17 | 156.7° | 179.9° |
| C15 | N2 | C13 | H14 | 175.9° | 179.8° |
| O2 | C12 | N2 | C11 | 179.1° | 180.0° |
| O2 | C12 | N2 | C13 | 179.8° | 0.0° |
| O2 | C12 | C11 | C10 | 39.3° | 5.3° |
| O2 | C12 | C11 | H12 | 81.1° | 125.3° |
| O2 | C12 | C11 | H13 | 159.7° | 114.7° |
| C16 | C14 | C13 | N2 | 19.0° | 0.0° |
| C16 | C14 | C13 | H15 | 180.0° | 179.9° |
| C14 | C16 | C15 | H16 | 156.6° | 179.9° |
| C16 | C14 | C13 | H14 | 161.1° | 179.9° |
| C12 | N2 | C13 | C14 | 176.0° | 180.0° |
| N2 | C12 | C11 | C10 | 139.8° | 174.7° |
| C12 | N2 | C15 | H16 | 12.4° | 0.1° |
| C12 | N2 | C13 | H14 | 3.9° | 0.1° |
| N2 | C12 | C11 | H12 | 99.8° | 54.7° |
| N2 | C12 | C11 | H13 | 19.4° | 65.3° |
| C11 | C12 | N2 | C13 | 1.1° | 180.0° |
| C12 | C11 | C10 | H12 | 120.4° | 120.0° |
| C12 | C11 | C10 | H13 | 120.4° | 120.0° |
| C12 | C11 | C10 | N1 | 64.7° | 65.6° |
| C12 | C11 | C10 | C17 | 176.4° | 174.4° |
| C12 | C11 | C10 | H11 | 59.2° | 54.4° |
| C12 | C11 | H12 | H13 | 118.9° | 120.0° |
| N2 | C13 | C14 | H14 | 179.9° | 179.9° |
| N2 | C13 | C14 | H15 | 161.0° | 179.9° |
| C13 | N2 | C15 | H16 | 167.8° | 179.9° |
| C13 | C14 | C16 | H17 | 153.9° | 179.8° |
| O5 | C19 | C18 | N3 | 32.3° | 0.0° |
| O5 | C19 | C18 | N4 | 177.1° | 180.0° |
| O5 | C19 | C18 | C20 | 80.7° | 120.0° |
| O5 | C19 | N4 | C28 | 1.7° | 0.0° |
| O5 | C19 | C18 | H19 | 156.9° | 120.0° |
| O5 | C19 | N4 | H29 | 178.3° | 180.0° |
| C11 | C10 | N1 | C17 | 116.1° | 120.0° |
| C11 | C10 | N1 | H11 | 123.1° | 120.0° |
| C11 | C10 | C17 | H11 | 117.1° | 120.0° |
| C11 | C10 | C17 | N3 | 87.3° | 59.9° |
| C11 | C10 | N1 | C1 | 173.1° | 158.1° |
| C11 | C10 | C17 | O3 | 92.6° | 120.0° |
| C10 | C11 | H12 | H13 | 118.8° | 120.0° |
| C11 | C10 | N1 | H10 | 6.9° | 21.8° |
| N1 | C10 | C17 | H11 | 121.6° | 120.0° |
| N1 | C10 | C17 | N3 | 151.3° | 179.9° |
| C10 | N1 | C1 | H10 | 180.0° | 179.9° |
| C10 | N1 | C1 | O1 | 0.8° | 4.5° |
| N1 | C10 | C17 | O3 | 28.8° | 0.0° |
| C10 | N1 | C1 | C2 | 180.0° | 175.1° |
| N1 | C10 | C11 | H12 | 174.9° | 54.4° |
| N1 | C10 | C11 | H13 | 55.7° | 174.4° |
| C10 | C17 | N3 | O3 | 179.9° | 179.9° |
| C10 | C17 | N3 | C18 | 179.4° | 180.0° |
| C17 | C10 | N1 | C1 | 70.7° | 81.9° |
| C10 | C17 | N3 | H18 | 0.5° | 0.1° |
| C17 | C10 | C11 | H12 | 56.0° | 65.6° |
| C17 | C10 | C11 | H13 | 63.2° | 54.4° |
| C17 | C10 | N1 | H10 | 109.2° | 98.2° |
| C25 | C27 | C31 | H28 | 180.0° | 179.9° |
| C27 | C25 | C26 | H27 | 180.0° | 180.0° |
| C25 | C27 | C31 | C32 | 0.3° | 0.0° |
| C27 | C25 | C26 | C29 | 179.5° | 180.0° |
| C27 | C25 | C26 | C24 | 0.1° | 0.1° |
| C25 | C27 | C31 | H33 | 179.7° | 180.0° |
| C31 | C27 | C25 | C26 | 0.1° | 0.1° |
| C27 | C31 | C32 | H33 | 179.9° | 180.0° |
| C27 | C31 | C32 | C24 | 0.3° | 0.0° |
| C27 | C31 | C32 | H34 | 179.7° | 179.9° |
| C31 | C27 | C25 | H27 | 180.0° | 179.9° |
| C17 | N3 | C18 | H18 | 179.9° | 179.9° |
| C17 | N3 | C18 | C19 | 111.9° | 155.1° |
| C17 | N3 | C18 | C20 | 132.0° | 85.0° |
| C17 | N3 | C18 | H19 | 10.6° | 35.1° |
| N3 | C17 | C10 | H11 | 29.8° | 60.1° |
| N3 | C18 | C19 | C20 | 113.0° | 120.0° |
| N3 | C18 | C19 | H19 | 124.6° | 120.0° |
| N3 | C18 | C19 | N4 | 144.8° | 180.0° |
| N3 | C18 | C20 | H19 | 123.3° | 120.0° |
| N3 | C18 | C20 | O4 | 137.3° | 65.0° |
| C18 | N3 | C17 | O3 | 0.5° | 0.1° |
| N3 | C18 | C20 | H20 | 17.5° | 55.1° |
| N3 | C18 | C20 | H21 | 102.9° | 175.0° |
| C25 | C26 | C29 | C28 | 1.8° | 0.0° |
| C25 | C26 | C29 | C24 | 179.4° | 179.9° |
| C25 | C26 | C24 | C32 | 0.0° | 0.0° |
| C25 | C26 | C29 | C30 | 179.9° | 179.7° |
| C25 | C26 | C24 | C22 | 179.6° | 180.0° |
| C26 | C25 | C27 | H28 | 179.9° | 180.0° |
| C19 | C18 | C20 | H19 | 122.1° | 120.0° |
| C19 | C18 | C20 | O4 | 108.1° | 55.0° |
| C18 | C19 | N4 | C28 | 178.8° | 180.0° |
| C19 | C18 | C20 | H20 | 132.1° | 175.0° |
| C19 | C18 | C20 | H21 | 11.8° | 65.0° |
| C19 | C18 | N3 | H18 | 68.0° | 25.1° |
| C18 | C19 | N4 | H29 | 1.3° | 0.0° |
| N4 | C19 | C18 | C20 | 102.2° | 60.0° |
| C19 | N4 | C28 | H29 | 180.0° | 180.0° |
| C19 | N4 | C28 | C29 | 110.1° | 180.0° |
| N4 | C19 | C18 | H19 | 20.2° | 60.0° |
| C19 | N4 | C28 | H30 | 128.8° | 60.0° |
| C19 | N4 | C28 | H31 | 10.9° | 60.0° |
| C31 | C32 | C24 | C26 | 0.2° | 0.0° |
| C31 | C32 | C24 | H34 | 180.0° | 179.9° |
| C31 | C32 | C24 | C22 | 179.8° | 180.0° |
| C32 | C31 | C27 | H28 | 179.7° | 180.0° |
| N1 | C1 | O1 | C2 | 179.3° | 179.6° |
| N1 | C1 | C2 | C3 | 114.9° | 179.7° |
| C1 | N1 | C10 | H11 | 50.1° | 38.1° |
| N1 | C1 | C2 | H1 | 5.7° | 59.7° |
| N1 | C1 | C2 | H2 | 124.5° | 60.4° |
| C18 | C20 | O4 | H20 | 119.8° | 120.0° |
| C18 | C20 | O4 | H21 | 119.9° | 120.0° |
| C18 | C20 | O4 | C21 | 95.6° | 180.0° |
| C18 | C20 | H20 | H21 | 120.6° | 120.0° |
| C20 | C18 | N3 | H18 | 48.0° | 94.9° |
| O4 | C20 | H20 | H21 | 120.6° | 120.0° |
| C20 | O4 | C21 | H22 | 180.0° | 60.0° |
| C20 | O4 | C21 | H23 | 60.0° | 60.0° |
| C20 | O4 | C21 | H24 | 59.9° | 180.0° |
| O4 | C20 | C18 | H19 | 14.0° | 175.0° |
| O1 | C1 | C2 | C3 | 64.3° | 0.0° |
| O1 | C1 | N1 | H10 | 179.2° | 175.4° |
| O1 | C1 | C2 | H1 | 175.1° | 120.0° |
| O1 | C1 | C2 | H2 | 56.2° | 120.0° |
| O3 | C17 | N3 | H18 | 179.6° | 180.0° |
| O3 | C17 | C10 | H11 | 150.3° | 120.0° |
| C1 | C2 | C3 | H1 | 120.6° | 120.0° |
| C1 | C2 | C3 | H2 | 120.6° | 120.0° |
| C1 | C2 | C3 | C4 | 164.2° | 180.0° |
| C2 | C1 | N1 | H10 | 0.1° | 4.9° |
| C1 | C2 | H1 | H2 | 118.2° | 120.0° |
| C1 | C2 | C3 | H3 | 43.6° | 60.0° |
| C1 | C2 | C3 | H4 | 75.3° | 60.0° |
| N4 | C28 | C29 | H30 | 121.1° | 119.9° |
| N4 | C28 | C29 | H31 | 121.0° | 120.0° |
| N4 | C28 | C29 | C26 | 76.8° | 80.0° |
| N4 | C28 | C29 | C30 | 105.2° | 99.7° |
| N4 | C28 | H30 | H31 | 116.6° | 120.0° |
| C28 | C29 | C26 | C30 | 178.1° | 179.7° |
| C28 | C29 | C26 | C24 | 178.7° | 179.9° |
| C28 | C29 | C30 | C23 | 178.8° | 179.7° |
| C29 | C28 | N4 | H29 | 69.9° | 0.0° |
| C29 | C28 | H30 | H31 | 116.6° | 120.0° |
| C28 | C29 | C30 | H32 | 1.1° | 0.3° |
| C29 | C26 | C24 | C32 | 179.5° | 180.0° |
| C29 | C26 | C24 | C22 | 0.1° | 0.1° |
| C26 | C29 | C30 | C23 | 0.7° | 0.6° |
| C29 | C26 | C25 | H27 | 0.4° | 0.0° |
| C26 | C29 | C28 | H30 | 162.1° | 40.0° |
| C26 | C29 | C28 | H31 | 44.2° | 160.0° |
| C26 | C29 | C30 | H32 | 179.2° | 180.0° |
| C26 | C24 | C32 | C22 | 179.7° | 180.0° |
| C24 | C26 | C29 | C30 | 0.7° | 0.3° |
| C26 | C24 | C22 | C23 | 0.4° | 0.1° |
| C26 | C24 | C32 | H34 | 179.8° | 179.9° |
| C26 | C24 | C22 | H25 | 179.6° | 179.8° |
| C24 | C26 | C25 | H27 | 179.9° | 180.0° |
| C32 | C24 | C22 | C23 | 179.9° | 179.9° |
| C32 | C24 | C22 | H25 | 0.1° | 0.2° |
| C24 | C32 | C31 | H33 | 179.6° | 179.9° |
| C21 | O4 | C20 | H20 | 144.6° | 60.0° |
| C21 | O4 | C20 | H21 | 24.2° | 60.0° |
| O4 | C21 | H22 | H23 | 120.0° | 120.0° |
| O4 | C21 | H22 | H24 | 120.0° | 120.0° |
| O4 | C21 | H23 | H24 | 120.0° | 120.0° |
| C29 | C30 | C23 | H32 | 179.9° | 179.4° |
| C29 | C30 | C23 | C22 | 0.2° | 0.6° |
| C29 | C30 | C23 | H26 | 179.8° | 179.4° |
| C30 | C29 | C28 | H30 | 15.9° | 140.4° |
| C30 | C29 | C28 | H31 | 133.8° | 20.3° |
| C2 | C3 | C4 | C9 | 45.2° | 90.2° |
| C2 | C3 | C4 | H3 | 120.6° | 120.0° |
| C2 | C3 | C4 | H4 | 120.5° | 120.1° |
| C2 | C3 | C4 | C5 | 134.1° | 90.0° |
| C3 | C2 | H1 | H2 | 118.2° | 120.0° |
| C2 | C3 | H3 | H4 | 118.1° | 120.1° |
| C24 | C22 | C23 | C30 | 0.4° | 0.2° |
| C24 | C22 | C23 | H25 | 180.0° | 179.8° |
| C22 | C24 | C32 | H34 | 0.1° | 0.1° |
| C24 | C22 | C23 | H26 | 179.6° | 179.8° |
| C8 | C9 | C4 | H9 | 179.9° | 179.5° |
| C8 | C9 | C4 | C3 | 180.0° | 179.7° |
| C9 | C8 | C7 | H8 | 180.0° | 179.8° |
| C8 | C9 | C4 | C5 | 0.7° | 0.5° |
| C9 | C8 | C7 | C6 | 0.1° | 0.2° |
| C9 | C8 | C7 | H7 | 179.8° | 179.8° |
| C9 | C4 | C3 | C5 | 179.3° | 179.8° |
| C4 | C9 | C8 | C7 | 0.4° | 0.5° |
| C9 | C4 | C5 | C6 | 0.6° | 0.3° |
| C9 | C4 | C3 | H3 | 75.4° | 149.8° |
| C9 | C4 | C3 | H4 | 165.7° | 29.8° |
| C9 | C4 | C5 | H5 | 179.4° | 179.8° |
| C4 | C9 | C8 | H8 | 179.6° | 179.7° |
| C30 | C23 | C22 | H26 | 180.0° | 180.0° |
| C30 | C23 | C22 | H25 | 179.6° | 179.9° |
| C3 | C4 | C5 | C6 | 179.9° | 179.9° |
| C4 | C3 | C2 | H1 | 75.2° | 60.0° |
| C4 | C3 | C2 | H2 | 43.6° | 60.0° |
| C4 | C3 | H3 | H4 | 118.2° | 119.9° |
| C3 | C4 | C5 | H5 | 0.1° | 0.0° |
| C3 | C4 | C9 | H9 | 0.1° | 0.2° |
| C22 | C23 | C30 | H32 | 179.7° | 180.0° |
| C8 | C7 | C6 | H7 | 179.9° | 180.0° |
| C8 | C7 | C6 | C5 | 0.1° | 0.0° |
| C8 | C7 | C6 | H6 | 179.9° | 180.0° |
| C7 | C8 | C9 | H9 | 179.6° | 180.0° |
| C4 | C5 | C6 | C7 | 0.3° | 0.1° |
| C4 | C5 | C6 | H5 | 180.0° | 179.9° |
| C5 | C4 | C3 | H3 | 105.3° | 30.0° |
| C5 | C4 | C3 | H4 | 13.6° | 149.9° |
| C4 | C5 | C6 | H6 | 179.6° | 180.0° |
| C5 | C4 | C9 | H9 | 179.4° | 179.9° |
| C7 | C6 | C5 | H6 | 179.9° | 180.0° |
| C7 | C6 | C5 | H5 | 179.6° | 180.0° |
| C6 | C7 | C8 | H8 | 179.9° | 179.9° |
| C5 | C6 | C7 | H7 | 179.8° | 180.0° |
| H15 | C14 | C16 | H17 | 26.1° | 0.3° |
| H15 | C14 | C13 | H14 | 18.9° | 0.0° |
| H28 | C27 | C25 | H27 | 0.1° | 0.0° |
| H28 | C27 | C31 | H33 | 0.3° | 0.1° |
| H20 | C20 | C18 | H19 | 105.8° | 65.0° |
| H21 | C20 | C18 | H19 | 133.8° | 55.0° |
| H22 | C21 | H23 | H24 | 120.0° | 120.0° |
| H34 | C32 | C31 | H33 | 0.4° | 0.0° |
| H25 | C22 | C23 | H26 | 0.4° | 0.1° |
| H26 | C23 | C30 | H32 | 0.3° | 0.0° |
| H16 | C15 | C16 | H17 | 23.4° | 0.3° |
| H18 | N3 | C18 | H19 | 169.4° | 145.0° |
| H29 | N4 | C28 | H30 | 51.2° | 120.0° |
| H29 | N4 | C28 | H31 | 169.1° | 120.0° |
| H11 | C10 | C11 | H12 | 61.2° | 174.4° |
| H11 | C10 | C11 | H13 | 179.6° | 65.6° |
| H11 | C10 | N1 | H10 | 130.0° | 141.8° |
| H1 | C2 | C3 | H3 | 164.2° | 180.0° |
| H1 | C2 | C3 | H4 | 45.3° | 60.0° |
| H2 | C2 | C3 | H3 | 77.0° | 60.0° |
| H2 | C2 | C3 | H4 | 164.2° | 180.0° |
| H5 | C5 | C6 | H6 | 0.4° | 0.0° |
| H6 | C6 | C7 | H7 | 0.2° | 0.0° |
| H7 | C7 | C8 | H8 | 0.2° | 0.0° |
| H8 | C8 | C9 | H9 | 0.3° | 0.2° |
