PRD_002256
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C19 | C18 | doub | 1.36Å | 1.37Å | Aromatic |
| C19 | C26 | sing | 1.39Å | 1.40Å | Aromatic |
| C18 | C20 | sing | 1.41Å | 1.42Å | Aromatic |
| C26 | C25 | doub | 1.36Å | 1.37Å | Aromatic |
| C20 | C28 | doub | 1.40Å | 1.43Å | Aromatic |
| C20 | C22 | sing | 1.42Å | 1.36Å | Aromatic |
| C25 | C22 | sing | 1.41Å | 1.44Å | Aromatic |
| C25 | C24 | sing | 1.51Å | 1.52Å | |
| C28 | C27 | sing | 1.36Å | 1.37Å | Aromatic |
| C22 | C21 | doub | 1.41Å | 1.41Å | Aromatic |
| C24 | N5 | sing | 1.47Å | 1.45Å | |
| N5 | C15 | sing | 1.35Å | 1.37Å | |
| C27 | C23 | doub | 1.39Å | 1.39Å | Aromatic |
| C21 | C23 | sing | 1.36Å | 1.37Å | Aromatic |
| C17 | O6 | sing | 1.43Å | 1.42Å | |
| C15 | C14 | sing | 1.51Å | 1.55Å | |
| C15 | O7 | doub | 1.21Å | 1.25Å | |
| O6 | C16 | sing | 1.43Å | 1.41Å | |
| C14 | C16 | sing | 1.53Å | 1.53Å | |
| C14 | N4 | sing | 1.47Å | 1.43Å | |
| O3 | C6 | doub | 1.21Å | 1.25Å | |
| C6 | N4 | sing | 1.35Å | 1.36Å | |
| C6 | C7 | sing | 1.51Å | 1.48Å | |
| C3 | C2 | sing | 1.51Å | 1.48Å | |
| C1 | C2 | doub | 1.35Å | 1.40Å | Aromatic |
| C1 | C4 | sing | 1.42Å | 1.47Å | Aromatic |
| N3 | C7 | sing | 1.46Å | 1.45Å | |
| N3 | C5 | sing | 1.35Å | 1.38Å | |
| C8 | C7 | sing | 1.53Å | 1.54Å | |
| C8 | C9 | sing | 1.51Å | 1.49Å | |
| C2 | O1 | sing | 1.34Å | 1.37Å | Aromatic |
| C4 | C5 | sing | 1.48Å | 1.49Å | |
| C4 | N1 | doub | 1.31Å | 1.35Å | Aromatic |
| C5 | O2 | doub | 1.22Å | 1.25Å | |
| C9 | N2 | sing | 1.35Å | 1.42Å | |
| C9 | O5 | doub | 1.21Å | 1.25Å | |
| O1 | N1 | sing | 1.21Å | 1.34Å | Aromatic |
| C13 | C10 | sing | 1.53Å | 1.53Å | |
| N2 | O4 | sing | 1.42Å | 1.37Å | |
| C11 | C10 | sing | 1.53Å | 1.51Å | |
| C10 | O4 | sing | 1.43Å | 1.44Å | |
| C10 | C12 | sing | 1.53Å | 1.52Å | |
| N4 | H25 | sing | 0.97Å | 1.00Å | |
| C14 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H30 | sing | 0.97Å | 1.00Å | |
| C24 | H31 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.08Å | 1.08Å | |
| C19 | H27 | sing | 1.08Å | 1.08Å | |
| C18 | H26 | sing | 1.08Å | 1.08Å | |
| C21 | H28 | sing | 1.08Å | 1.08Å | |
| C23 | H29 | sing | 1.08Å | 1.08Å | |
| C27 | H34 | sing | 1.08Å | 1.08Å | |
| C28 | H35 | sing | 1.08Å | 1.08Å | |
| C16 | H20 | sing | 1.09Å | 1.10Å | |
| C16 | H21 | sing | 1.09Å | 1.10Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C17 | H23 | sing | 1.09Å | 1.10Å | |
| C17 | H24 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C8 | H7 | sing | 1.09Å | 1.10Å | |
| N2 | H8 | sing | 0.97Å | 1.00Å | |
| C11 | H9 | sing | 1.09Å | 1.10Å | |
| C11 | H10 | sing | 1.09Å | 1.10Å | |
| C11 | H11 | sing | 1.09Å | 1.10Å | |
| C12 | H12 | sing | 1.09Å | 1.10Å | |
| C12 | H13 | sing | 1.09Å | 1.10Å | |
| C12 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C13 | H16 | sing | 1.09Å | 1.10Å | |
| C13 | H17 | sing | 1.09Å | 1.10Å | |
| N3 | H18 | sing | 0.97Å | 1.00Å | |
| C3 | H2 | sing | 1.09Å | 1.10Å | |
| C3 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C1 | H1 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C18 | C19 | C26 | 120.1° | 121.0° |
| C19 | C18 | C20 | 119.8° | 119.6° |
| C18 | C19 | H27 | 120.0° | 119.5° |
| C19 | C18 | H26 | 120.1° | 120.2° |
| C19 | C26 | C25 | 121.7° | 121.0° |
| C19 | C26 | H33 | 119.2° | 119.6° |
| C26 | C19 | H27 | 119.9° | 119.5° |
| C18 | C20 | C28 | 119.5° | 121.2° |
| C18 | C20 | C22 | 119.6° | 119.4° |
| C20 | C18 | H26 | 120.1° | 120.2° |
| C26 | C25 | C22 | 117.1° | 119.6° |
| C26 | C25 | C24 | 118.2° | 120.2° |
| C25 | C26 | H33 | 119.1° | 119.4° |
| C28 | C20 | C22 | 120.9° | 119.4° |
| C20 | C28 | C27 | 120.7° | 119.6° |
| C20 | C28 | H35 | 119.7° | 120.2° |
| C20 | C22 | C25 | 121.7° | 119.4° |
| C20 | C22 | C21 | 117.2° | 119.4° |
| C22 | C25 | C24 | 124.6° | 120.2° |
| C25 | C22 | C21 | 121.1° | 121.2° |
| C25 | C24 | N5 | 120.0° | 109.4° |
| C25 | C24 | H31 | 106.8° | 109.5° |
| C25 | C24 | H32 | 106.8° | 109.5° |
| C28 | C27 | C23 | 118.9° | 121.0° |
| C28 | C27 | H34 | 120.5° | 119.5° |
| C27 | C28 | H35 | 119.7° | 120.2° |
| C22 | C21 | C23 | 122.4° | 119.6° |
| C22 | C21 | H28 | 118.8° | 120.2° |
| C24 | N5 | C15 | 126.4° | 120.0° |
| C24 | N5 | H30 | 116.8° | 120.0° |
| N5 | C24 | H31 | 106.8° | 109.5° |
| N5 | C24 | H32 | 106.7° | 109.5° |
| N5 | C15 | C14 | 124.3° | 120.0° |
| N5 | C15 | O7 | 120.6° | 120.0° |
| C15 | N5 | H30 | 116.8° | 120.0° |
| C27 | C23 | C21 | 119.9° | 121.0° |
| C27 | C23 | H29 | 120.1° | 119.5° |
| C23 | C27 | H34 | 120.5° | 119.5° |
| C23 | C21 | H28 | 118.8° | 120.1° |
| C21 | C23 | H29 | 120.0° | 119.6° |
| C17 | O6 | C16 | 110.5° | 114.0° |
| O6 | C17 | H22 | 109.5° | 109.5° |
| O6 | C17 | H23 | 109.5° | 109.5° |
| O6 | C17 | H24 | 109.5° | 109.5° |
| C14 | C15 | O7 | 115.1° | 120.0° |
| C15 | C14 | C16 | 110.0° | 109.4° |
| C15 | C14 | N4 | 109.4° | 109.5° |
| C15 | C14 | H19 | 108.7° | 109.5° |
| O6 | C16 | C14 | 109.1° | 109.5° |
| O6 | C16 | H20 | 109.6° | 109.4° |
| O6 | C16 | H21 | 109.5° | 109.5° |
| C16 | C14 | N4 | 109.5° | 109.5° |
| C16 | C14 | H19 | 108.9° | 109.5° |
| C14 | C16 | H20 | 109.6° | 109.5° |
| C14 | C16 | H21 | 109.6° | 109.5° |
| C14 | N4 | C6 | 120.5° | 120.0° |
| C14 | N4 | H25 | 119.8° | 120.0° |
| N4 | C14 | H19 | 110.3° | 109.5° |
| O3 | C6 | N4 | 115.8° | 120.0° |
| O3 | C6 | C7 | 115.8° | 120.0° |
| N4 | C6 | C7 | 128.3° | 120.0° |
| C6 | N4 | H25 | 119.7° | 120.1° |
| C6 | C7 | N3 | 107.5° | 109.5° |
| C6 | C7 | C8 | 108.1° | 109.5° |
| C6 | C7 | H5 | 109.5° | 109.5° |
| C3 | C2 | C1 | 130.3° | 126.7° |
| C3 | C2 | O1 | 123.9° | 126.7° |
| C2 | C3 | H2 | 109.6° | 109.4° |
| C2 | C3 | H3 | 109.5° | 109.5° |
| C2 | C3 | H4 | 109.5° | 109.4° |
| C2 | C1 | C4 | 106.5° | 103.9° |
| C1 | C2 | O1 | 105.9° | 106.7° |
| C2 | C1 | H1 | 126.8° | 128.0° |
| C1 | C4 | C5 | 127.4° | 127.0° |
| C1 | C4 | N1 | 106.4° | 106.1° |
| C4 | C1 | H1 | 126.8° | 128.0° |
| C7 | N3 | C5 | 124.2° | 120.0° |
| N3 | C7 | C8 | 113.1° | 109.5° |
| N3 | C7 | H5 | 109.9° | 109.5° |
| C7 | N3 | H18 | 117.9° | 120.0° |
| N3 | C5 | C4 | 127.1° | 120.0° |
| N3 | C5 | O2 | 115.5° | 120.0° |
| C5 | N3 | H18 | 117.9° | 120.0° |
| C7 | C8 | C9 | 121.4° | 109.5° |
| C8 | C7 | H5 | 108.8° | 109.4° |
| C7 | C8 | H6 | 106.4° | 109.5° |
| C7 | C8 | H7 | 106.4° | 109.5° |
| C8 | C9 | N2 | 120.9° | 120.0° |
| C8 | C9 | O5 | 119.3° | 120.0° |
| C9 | C8 | H6 | 106.4° | 109.5° |
| C9 | C8 | H7 | 106.4° | 109.5° |
| C2 | O1 | N1 | 111.9° | 111.8° |
| C5 | C4 | N1 | 126.1° | 126.9° |
| C4 | C5 | O2 | 117.4° | 120.0° |
| C4 | N1 | O1 | 109.3° | 111.5° |
| N2 | C9 | O5 | 119.8° | 120.0° |
| C9 | N2 | O4 | 123.3° | 120.0° |
| C9 | N2 | H8 | 118.4° | 120.0° |
| C13 | C10 | C11 | 109.6° | 109.5° |
| C13 | C10 | O4 | 108.7° | 109.4° |
| C13 | C10 | C12 | 107.4° | 109.5° |
| C10 | C13 | H15 | 109.5° | 109.5° |
| C10 | C13 | H16 | 109.4° | 109.4° |
| C10 | C13 | H17 | 109.5° | 109.5° |
| N2 | O4 | C10 | 113.7° | 114.0° |
| O4 | N2 | H8 | 118.3° | 120.0° |
| C11 | C10 | O4 | 112.8° | 109.5° |
| C11 | C10 | C12 | 108.8° | 109.5° |
| C10 | C11 | H9 | 109.5° | 109.4° |
| C10 | C11 | H10 | 109.5° | 109.5° |
| C10 | C11 | H11 | 109.5° | 109.5° |
| O4 | C10 | C12 | 109.3° | 109.5° |
| C10 | C12 | H12 | 109.5° | 109.5° |
| C10 | C12 | H13 | 109.5° | 109.5° |
| C10 | C12 | H14 | 109.5° | 109.5° |
| H31 | C24 | H32 | 109.5° | 109.5° |
| H20 | C16 | H21 | 109.4° | 109.5° |
| H22 | C17 | H23 | 109.4° | 109.5° |
| H22 | C17 | H24 | 109.4° | 109.5° |
| H23 | C17 | H24 | 109.4° | 109.5° |
| H6 | C8 | H7 | 109.5° | 109.4° |
| H9 | C11 | H10 | 109.4° | 109.5° |
| H9 | C11 | H11 | 109.5° | 109.4° |
| H10 | C11 | H11 | 109.4° | 109.5° |
| H12 | C12 | H13 | 109.5° | 109.5° |
| H12 | C12 | H14 | 109.5° | 109.4° |
| H13 | C12 | H14 | 109.4° | 109.4° |
| H15 | C13 | H16 | 109.5° | 109.5° |
| H15 | C13 | H17 | 109.5° | 109.5° |
| H16 | C13 | H17 | 109.5° | 109.5° |
| H2 | C3 | H3 | 109.4° | 109.5° |
| H2 | C3 | H4 | 109.4° | 109.5° |
| H3 | C3 | H4 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C18 | C19 | C26 | H27 | 180.0° | 179.9° |
| C19 | C18 | C20 | H26 | 180.0° | 179.6° |
| C18 | C19 | C26 | C25 | 0.1° | 0.5° |
| C19 | C18 | C20 | C28 | 179.9° | 179.7° |
| C19 | C18 | C20 | C22 | 0.2° | 0.4° |
| C18 | C19 | C26 | H33 | 179.8° | 179.9° |
| C26 | C19 | C18 | C20 | 0.3° | 0.1° |
| C19 | C26 | C25 | H33 | 179.9° | 179.4° |
| C19 | C26 | C25 | C22 | 0.6° | 0.9° |
| C19 | C26 | C25 | C24 | 178.9° | 179.7° |
| C26 | C19 | C18 | H26 | 179.7° | 179.7° |
| C18 | C20 | C28 | C22 | 179.7° | 179.9° |
| C18 | C20 | C22 | C25 | 0.4° | 0.0° |
| C18 | C20 | C28 | C27 | 179.9° | 180.0° |
| C18 | C20 | C22 | C21 | 180.0° | 179.9° |
| C20 | C18 | C19 | H27 | 179.7° | 180.0° |
| C18 | C20 | C28 | H35 | 0.0° | 0.1° |
| C26 | C25 | C22 | C20 | 0.8° | 0.6° |
| C26 | C25 | C22 | C24 | 178.1° | 179.4° |
| C26 | C25 | C22 | C21 | 179.6° | 179.4° |
| C26 | C25 | C24 | N5 | 102.3° | 100.6° |
| C26 | C25 | C24 | H31 | 136.2° | 139.4° |
| C26 | C25 | C24 | H32 | 19.1° | 19.4° |
| C25 | C26 | C19 | H27 | 179.8° | 179.4° |
| C28 | C20 | C22 | C25 | 179.4° | 180.0° |
| C20 | C28 | C27 | H35 | 179.9° | 179.9° |
| C28 | C20 | C22 | C21 | 0.3° | 0.0° |
| C20 | C28 | C27 | C23 | 0.3° | 0.1° |
| C28 | C20 | C18 | H26 | 0.1° | 0.1° |
| C20 | C28 | C27 | H34 | 179.8° | 180.0° |
| C20 | C22 | C25 | C21 | 179.6° | 180.0° |
| C20 | C22 | C25 | C24 | 178.9° | 180.0° |
| C22 | C20 | C28 | C27 | 0.4° | 0.1° |
| C20 | C22 | C21 | C23 | 0.1° | 0.0° |
| C22 | C20 | C18 | H26 | 179.8° | 180.0° |
| C20 | C22 | C21 | H28 | 180.0° | 180.0° |
| C22 | C20 | C28 | H35 | 179.7° | 180.0° |
| C22 | C25 | C24 | N5 | 79.6° | 80.0° |
| C25 | C22 | C21 | C23 | 179.6° | 180.0° |
| C22 | C25 | C24 | H31 | 41.9° | 40.0° |
| C22 | C25 | C24 | H32 | 159.0° | 160.0° |
| C22 | C25 | C26 | H33 | 179.3° | 179.8° |
| C25 | C22 | C21 | H28 | 0.4° | 0.0° |
| C24 | C25 | C22 | C21 | 1.5° | 0.0° |
| C25 | C24 | N5 | H31 | 121.5° | 120.0° |
| C25 | C24 | N5 | H32 | 121.5° | 120.0° |
| C25 | C24 | N5 | C15 | 112.6° | 180.0° |
| C25 | C24 | N5 | H30 | 67.3° | 0.0° |
| C25 | C24 | H31 | H32 | 115.3° | 120.0° |
| C24 | C25 | C26 | H33 | 1.1° | 0.4° |
| C28 | C27 | C23 | H34 | 179.9° | 179.9° |
| C28 | C27 | C23 | C21 | 0.1° | 0.1° |
| C28 | C27 | C23 | H29 | 180.0° | 179.9° |
| C22 | C21 | C23 | C27 | 0.0° | 0.0° |
| C22 | C21 | C23 | H28 | 179.9° | 180.0° |
| C22 | C21 | C23 | H29 | 179.9° | 179.9° |
| C24 | N5 | C15 | H30 | 179.9° | 180.0° |
| C24 | N5 | C15 | C14 | 179.2° | 180.0° |
| C24 | N5 | C15 | O7 | 1.7° | 0.0° |
| N5 | C24 | H31 | H32 | 115.2° | 120.0° |
| N5 | C15 | C14 | O7 | 179.1° | 180.0° |
| N5 | C15 | C14 | C16 | 93.5° | 60.0° |
| N5 | C15 | C14 | N4 | 146.2° | 180.0° |
| N5 | C15 | C14 | H19 | 25.7° | 60.0° |
| C15 | N5 | C24 | H31 | 8.9° | 60.0° |
| C15 | N5 | C24 | H32 | 125.9° | 60.0° |
| C27 | C23 | C21 | H29 | 180.0° | 179.9° |
| C27 | C23 | C21 | H28 | 179.9° | 180.0° |
| C23 | C27 | C28 | H35 | 179.8° | 180.0° |
| C21 | C23 | C27 | H34 | 180.0° | 180.0° |
| C17 | O6 | C16 | C14 | 122.9° | 180.0° |
| C17 | O6 | C16 | H20 | 2.9° | 60.0° |
| C17 | O6 | C16 | H21 | 117.2° | 60.0° |
| O6 | C17 | H22 | H23 | 120.0° | 120.0° |
| O6 | C17 | H22 | H24 | 120.0° | 120.0° |
| O6 | C17 | H23 | H24 | 120.0° | 120.0° |
| C15 | C14 | C16 | O6 | 145.0° | 55.0° |
| C15 | C14 | C16 | N4 | 120.2° | 120.0° |
| C15 | C14 | C16 | H19 | 119.1° | 120.0° |
| C15 | C14 | N4 | H19 | 119.6° | 120.0° |
| C15 | C14 | N4 | C6 | 97.0° | 155.0° |
| C15 | C14 | N4 | H25 | 82.9° | 25.0° |
| C14 | C15 | N5 | H30 | 0.9° | 0.0° |
| C15 | C14 | C16 | H20 | 25.0° | 175.0° |
| C15 | C14 | C16 | H21 | 95.1° | 65.0° |
| O7 | C15 | C14 | C16 | 87.4° | 120.0° |
| O7 | C15 | C14 | N4 | 32.9° | 0.0° |
| O7 | C15 | C14 | H19 | 153.5° | 120.0° |
| O7 | C15 | N5 | H30 | 178.2° | 179.9° |
| O6 | C16 | C14 | H20 | 120.0° | 120.0° |
| O6 | C16 | C14 | H21 | 119.9° | 120.0° |
| O6 | C16 | C14 | N4 | 94.8° | 65.0° |
| O6 | C16 | C14 | H19 | 25.9° | 175.0° |
| O6 | C16 | H20 | H21 | 120.1° | 119.9° |
| C16 | O6 | C17 | H22 | 180.0° | 60.0° |
| C16 | O6 | C17 | H23 | 60.0° | 60.0° |
| C16 | O6 | C17 | H24 | 60.0° | 180.0° |
| C16 | C14 | N4 | H19 | 119.8° | 120.0° |
| C16 | C14 | N4 | C6 | 142.4° | 85.0° |
| C16 | C14 | N4 | H25 | 37.6° | 94.9° |
| C14 | C16 | H20 | H21 | 120.2° | 120.0° |
| C14 | N4 | C6 | O3 | 0.1° | 0.0° |
| C14 | N4 | C6 | H25 | 180.0° | 180.0° |
| C14 | N4 | C6 | C7 | 178.8° | 180.0° |
| N4 | C14 | C16 | H20 | 145.2° | 55.0° |
| N4 | C14 | C16 | H21 | 25.1° | 175.0° |
| O3 | C6 | N4 | C7 | 178.9° | 179.9° |
| O3 | C6 | C7 | N3 | 46.7° | 20.0° |
| O3 | C6 | C7 | C8 | 75.7° | 100.1° |
| O3 | C6 | N4 | H25 | 180.0° | 179.9° |
| O3 | C6 | C7 | H5 | 165.9° | 140.0° |
| N4 | C6 | C7 | N3 | 134.4° | 160.0° |
| N4 | C6 | C7 | C8 | 103.2° | 80.0° |
| C6 | N4 | C14 | H19 | 22.6° | 35.0° |
| N4 | C6 | C7 | H5 | 15.2° | 39.9° |
| C6 | C7 | N3 | C8 | 119.2° | 120.0° |
| C6 | C7 | N3 | H5 | 119.0° | 120.0° |
| C6 | C7 | N3 | C5 | 156.9° | 60.0° |
| C6 | C7 | C8 | H5 | 118.7° | 120.0° |
| C6 | C7 | C8 | C9 | 134.9° | 175.0° |
| C7 | C6 | N4 | H25 | 1.1° | 0.0° |
| C6 | C7 | C8 | H6 | 103.5° | 65.0° |
| C6 | C7 | C8 | H7 | 13.2° | 54.9° |
| C6 | C7 | N3 | H18 | 23.2° | 120.0° |
| C3 | C2 | C1 | O1 | 179.8° | 180.0° |
| C3 | C2 | C1 | C4 | 179.7° | 180.0° |
| C3 | C2 | O1 | N1 | 179.8° | 180.0° |
| C2 | C3 | H2 | H3 | 120.1° | 120.0° |
| C2 | C3 | H2 | H4 | 120.0° | 120.0° |
| C2 | C3 | H3 | H4 | 120.0° | 120.0° |
| C3 | C2 | C1 | H1 | 0.4° | 0.2° |
| C2 | C1 | C4 | H1 | 179.9° | 179.8° |
| C2 | C1 | C4 | C5 | 179.8° | 180.0° |
| C2 | C1 | C4 | N1 | 0.2° | 0.1° |
| C1 | C2 | O1 | N1 | 0.1° | 0.0° |
| C1 | C2 | C3 | H2 | 179.7° | 90.0° |
| C1 | C2 | C3 | H3 | 59.7° | 150.0° |
| C1 | C2 | C3 | H4 | 60.3° | 30.0° |
| C1 | C4 | C5 | N3 | 9.8° | 180.0° |
| C4 | C1 | C2 | O1 | 0.1° | 0.1° |
| C1 | C4 | C5 | N1 | 179.6° | 179.9° |
| C1 | C4 | C5 | O2 | 170.6° | 0.1° |
| C1 | C4 | N1 | O1 | 0.2° | 0.0° |
| C7 | N3 | C5 | H18 | 179.9° | 179.9° |
| N3 | C7 | C8 | H5 | 122.4° | 120.0° |
| N3 | C7 | C8 | C9 | 106.2° | 65.0° |
| C7 | N3 | C5 | C4 | 179.1° | 180.0° |
| C7 | N3 | C5 | O2 | 0.5° | 0.0° |
| N3 | C7 | C8 | H6 | 15.4° | 55.0° |
| N3 | C7 | C8 | H7 | 132.1° | 175.0° |
| C5 | N3 | C7 | C8 | 83.9° | 60.0° |
| N3 | C5 | C4 | O2 | 179.6° | 179.9° |
| N3 | C5 | C4 | N1 | 169.8° | 0.1° |
| C5 | N3 | C7 | H5 | 37.8° | 179.9° |
| C7 | C8 | C9 | H6 | 121.6° | 120.0° |
| C7 | C8 | C9 | H7 | 121.7° | 120.1° |
| C7 | C8 | C9 | N2 | 128.9° | 180.0° |
| C7 | C8 | C9 | O5 | 52.4° | 0.0° |
| C7 | C8 | H6 | H7 | 114.6° | 120.0° |
| C8 | C7 | N3 | H18 | 96.0° | 119.9° |
| C8 | C9 | N2 | O5 | 178.7° | 180.0° |
| C8 | C9 | N2 | O4 | 179.8° | 180.0° |
| C9 | C8 | C7 | H5 | 16.1° | 55.0° |
| C9 | C8 | H6 | H7 | 114.6° | 120.0° |
| C8 | C9 | N2 | H8 | 0.3° | 0.1° |
| C2 | O1 | N1 | C4 | 0.2° | 0.0° |
| O1 | C2 | C3 | H2 | 0.0° | 90.0° |
| O1 | C2 | C3 | H3 | 120.0° | 30.0° |
| O1 | C2 | C3 | H4 | 120.0° | 150.0° |
| O1 | C2 | C1 | H1 | 179.9° | 179.7° |
| C5 | C4 | N1 | O1 | 179.9° | 179.9° |
| C4 | C5 | N3 | H18 | 0.9° | 0.1° |
| C5 | C4 | C1 | H1 | 0.1° | 0.2° |
| N1 | C4 | C5 | O2 | 9.8° | 180.0° |
| N1 | C4 | C1 | H1 | 179.8° | 179.7° |
| O2 | C5 | N3 | H18 | 179.5° | 180.0° |
| C9 | N2 | O4 | H8 | 179.9° | 179.9° |
| C9 | N2 | O4 | C10 | 112.3° | 180.0° |
| N2 | C9 | C8 | H6 | 7.3° | 60.0° |
| N2 | C9 | C8 | H7 | 109.4° | 60.0° |
| O5 | C9 | N2 | O4 | 1.1° | 0.0° |
| O5 | C9 | C8 | H6 | 174.0° | 120.0° |
| O5 | C9 | C8 | H7 | 69.3° | 120.0° |
| O5 | C9 | N2 | H8 | 179.0° | 179.9° |
| C13 | C10 | O4 | N2 | 56.7° | 180.0° |
| C13 | C10 | C11 | O4 | 121.3° | 119.9° |
| C13 | C10 | C11 | C12 | 117.2° | 120.0° |
| C13 | C10 | O4 | C12 | 117.0° | 120.0° |
| C13 | C10 | C11 | H9 | 180.0° | 179.9° |
| C13 | C10 | C11 | H10 | 60.0° | 60.1° |
| C13 | C10 | C11 | H11 | 59.9° | 60.0° |
| C13 | C10 | C12 | H12 | 180.0° | 60.0° |
| C13 | C10 | C12 | H13 | 60.0° | 60.0° |
| C13 | C10 | C12 | H14 | 60.0° | 180.0° |
| C10 | C13 | H15 | H16 | 120.0° | 120.0° |
| C10 | C13 | H15 | H17 | 120.0° | 120.0° |
| C10 | C13 | H16 | H17 | 120.0° | 120.0° |
| N2 | O4 | C10 | C11 | 65.1° | 60.1° |
| N2 | O4 | C10 | C12 | 173.7° | 60.0° |
| C11 | C10 | O4 | C12 | 121.2° | 120.0° |
| C10 | C11 | H9 | H10 | 120.0° | 120.0° |
| C10 | C11 | H9 | H11 | 120.1° | 120.0° |
| C10 | C11 | H10 | H11 | 120.0° | 120.0° |
| C11 | C10 | C12 | H12 | 61.4° | 180.0° |
| C11 | C10 | C12 | H13 | 178.6° | 60.0° |
| C11 | C10 | C12 | H14 | 58.6° | 60.0° |
| C11 | C10 | C13 | H15 | 180.0° | 60.0° |
| C11 | C10 | C13 | H16 | 60.0° | 60.0° |
| C11 | C10 | C13 | H17 | 60.0° | 180.0° |
| C10 | O4 | N2 | H8 | 67.9° | 0.1° |
| O4 | C10 | C11 | H9 | 58.8° | 60.0° |
| O4 | C10 | C11 | H10 | 178.7° | 180.0° |
| O4 | C10 | C11 | H11 | 61.3° | 60.0° |
| O4 | C10 | C12 | H12 | 62.1° | 60.0° |
| O4 | C10 | C12 | H13 | 57.9° | 180.0° |
| O4 | C10 | C12 | H14 | 177.8° | 60.0° |
| O4 | C10 | C13 | H15 | 56.3° | 60.0° |
| O4 | C10 | C13 | H16 | 63.7° | 180.0° |
| O4 | C10 | C13 | H17 | 176.3° | 60.0° |
| C12 | C10 | C11 | H9 | 62.7° | 60.0° |
| C12 | C10 | C11 | H10 | 57.2° | 60.0° |
| C12 | C10 | C11 | H11 | 177.2° | 180.0° |
| C10 | C12 | H12 | H13 | 120.0° | 120.0° |
| C10 | C12 | H12 | H14 | 120.0° | 120.0° |
| C10 | C12 | H13 | H14 | 120.0° | 120.0° |
| C12 | C10 | C13 | H15 | 61.9° | 180.0° |
| C12 | C10 | C13 | H16 | 178.1° | 60.0° |
| C12 | C10 | C13 | H17 | 58.1° | 60.0° |
| H25 | N4 | C14 | H19 | 157.5° | 145.0° |
| H19 | C14 | C16 | H20 | 94.1° | 65.0° |
| H19 | C14 | C16 | H21 | 145.8° | 55.0° |
| H30 | N5 | C24 | H31 | 171.2° | 120.0° |
| H30 | N5 | C24 | H32 | 54.1° | 119.9° |
| H33 | C26 | C19 | H27 | 0.2° | 0.0° |
| H27 | C19 | C18 | H26 | 0.3° | 0.4° |
| H28 | C21 | C23 | H29 | 0.1° | 0.1° |
| H29 | C23 | C27 | H34 | 0.1° | 0.0° |
| H34 | C27 | C28 | H35 | 0.1° | 0.1° |
| H22 | C17 | H23 | H24 | 119.9° | 120.0° |
| H5 | C7 | C8 | H6 | 137.7° | 175.0° |
| H5 | C7 | C8 | H7 | 105.6° | 65.0° |
| H5 | C7 | N3 | H18 | 142.2° | 0.0° |
| H9 | C11 | H10 | H11 | 120.0° | 120.0° |
| H12 | C12 | H13 | H14 | 120.0° | 119.9° |
| H15 | C13 | H16 | H17 | 120.0° | 120.0° |
| H2 | C3 | H3 | H4 | 119.9° | 120.1° |
