H9P
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C20 | C19 | doub | 1.35Å | 1.40Å | Aromatic |
| C20 | N5 | sing | 1.34Å | 1.41Å | Aromatic |
| C19 | N4 | sing | 1.37Å | 1.42Å | Aromatic |
| N5 | C21 | doub | 1.30Å | 1.36Å | Aromatic |
| C25 | C24 | sing | 1.53Å | 1.53Å | |
| C25 | C26 | sing | 1.53Å | 1.53Å | |
| N4 | C21 | sing | 1.35Å | 1.41Å | Aromatic |
| N4 | C18 | sing | 1.47Å | 1.47Å | |
| C24 | C23 | sing | 1.53Å | 1.55Å | |
| C18 | C17 | sing | 1.53Å | 1.57Å | |
| O1 | C16 | doub | 1.21Å | 1.21Å | |
| C26 | C27 | sing | 1.53Å | 1.50Å | |
| C15 | N3 | sing | 1.47Å | 1.48Å | |
| C15 | C14 | sing | 1.53Å | 1.56Å | |
| C16 | N3 | sing | 1.35Å | 1.39Å | |
| C16 | C17 | sing | 1.51Å | 1.55Å | |
| C23 | C14 | sing | 1.53Å | 1.58Å | |
| C23 | C28 | sing | 1.53Å | 1.55Å | |
| C17 | C22 | sing | 1.53Å | 1.54Å | |
| C14 | N2 | sing | 1.46Å | 1.47Å | |
| C27 | C28 | sing | 1.53Å | 1.53Å | |
| N2 | C13 | sing | 1.35Å | 1.39Å | |
| O2 | C13 | doub | 1.21Å | 1.23Å | |
| C13 | C9 | sing | 1.51Å | 1.57Å | |
| C9 | N1 | sing | 1.47Å | 1.48Å | |
| C9 | C8 | sing | 1.53Å | 1.55Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| N1 | C10 | sing | 1.35Å | 1.40Å | |
| C8 | C7 | sing | 1.51Å | 1.49Å | |
| O | C10 | doub | 1.21Å | 1.22Å | |
| C10 | C11 | sing | 1.51Å | 1.52Å | |
| C7 | N | doub | 1.28Å | 1.31Å | Aromatic |
| C7 | S | sing | 1.71Å | 1.74Å | Aromatic |
| N | C6 | sing | 1.35Å | 1.41Å | Aromatic |
| S | C5 | sing | 1.76Å | 1.71Å | Aromatic |
| C6 | C5 | doub | 1.40Å | 1.41Å | Aromatic |
| C6 | C29 | sing | 1.41Å | 1.40Å | Aromatic |
| C5 | C4 | sing | 1.39Å | 1.39Å | Aromatic |
| C29 | C30 | doub | 1.36Å | 1.40Å | Aromatic |
| C4 | C3 | doub | 1.38Å | 1.41Å | Aromatic |
| C30 | C3 | sing | 1.39Å | 1.43Å | Aromatic |
| C3 | C1 | sing | 1.51Å | 1.52Å | |
| C1 | C | sing | 1.53Å | 1.53Å | |
| C1 | C2 | sing | 1.53Å | 1.52Å | |
| C9 | H | sing | 1.09Å | 1.10Å | |
| N1 | H12 | sing | 0.97Å | 1.00Å | |
| C11 | H13 | sing | 1.09Å | 1.10Å | |
| C11 | H14 | sing | 1.09Å | 1.10Å | |
| C12 | H16 | sing | 1.09Å | 1.10Å | |
| C12 | H15 | sing | 1.09Å | 1.10Å | |
| C12 | H17 | sing | 1.09Å | 1.10Å | |
| C8 | H10 | sing | 1.09Å | 1.10Å | |
| C8 | H11 | sing | 1.09Å | 1.10Å | |
| C4 | H9 | sing | 1.08Å | 1.08Å | |
| C29 | H42 | sing | 1.08Å | 1.08Å | |
| C30 | H43 | sing | 1.08Å | 1.08Å | |
| C1 | H5 | sing | 1.09Å | 1.10Å | |
| C2 | H7 | sing | 1.09Å | 1.10Å | |
| C2 | H6 | sing | 1.09Å | 1.10Å | |
| C2 | H8 | sing | 1.09Å | 1.10Å | |
| C | H2 | sing | 1.09Å | 1.10Å | |
| C | H4 | sing | 1.09Å | 1.10Å | |
| C | H3 | sing | 1.09Å | 1.10Å | |
| N2 | H18 | sing | 0.97Å | 1.00Å | |
| C14 | H1 | sing | 1.09Å | 1.10Å | |
| C23 | H31 | sing | 1.09Å | 1.10Å | |
| C28 | H40 | sing | 1.09Å | 1.10Å | |
| C28 | H41 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C26 | H36 | sing | 1.09Å | 1.10Å | |
| C26 | H37 | sing | 1.09Å | 1.10Å | |
| C25 | H34 | sing | 1.09Å | 1.10Å | |
| C25 | H35 | sing | 1.09Å | 1.10Å | |
| C24 | H32 | sing | 1.09Å | 1.10Å | |
| C24 | H33 | sing | 1.09Å | 1.10Å | |
| C15 | H19 | sing | 1.09Å | 1.10Å | |
| C15 | H20 | sing | 1.09Å | 1.10Å | |
| N3 | H21 | sing | 0.97Å | 1.00Å | |
| C17 | H22 | sing | 1.09Å | 1.10Å | |
| C22 | H30 | sing | 1.09Å | 1.10Å | |
| C22 | H29 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C18 | H23 | sing | 1.09Å | 1.10Å | |
| C18 | H24 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.08Å | 1.08Å | |
| C20 | H26 | sing | 1.08Å | 1.08Å | |
| C19 | H25 | sing | 1.08Å | 1.08Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C19 | C20 | N5 | 110.6° | 108.0° |
| C20 | C19 | N4 | 105.7° | 106.8° |
| C19 | C20 | H26 | 124.7° | 126.0° |
| C20 | C19 | H25 | 127.1° | 126.6° |
| C20 | N5 | C21 | 106.0° | 109.3° |
| N5 | C20 | H26 | 124.7° | 126.0° |
| C19 | N4 | C21 | 107.3° | 107.2° |
| C19 | N4 | C18 | 125.5° | 126.4° |
| N4 | C19 | H25 | 127.1° | 126.6° |
| N5 | C21 | N4 | 110.3° | 108.7° |
| N5 | C21 | H27 | 124.8° | 125.6° |
| C24 | C25 | C26 | 107.9° | 109.5° |
| C25 | C24 | C23 | 108.4° | 109.5° |
| C24 | C25 | H34 | 109.8° | 109.5° |
| C24 | C25 | H35 | 109.9° | 109.5° |
| C25 | C24 | H32 | 109.8° | 109.5° |
| C25 | C24 | H33 | 109.8° | 109.5° |
| C25 | C26 | C27 | 108.8° | 109.4° |
| C25 | C26 | H36 | 109.6° | 109.4° |
| C25 | C26 | H37 | 109.6° | 109.4° |
| C26 | C25 | H34 | 109.9° | 109.4° |
| C26 | C25 | H35 | 109.8° | 109.4° |
| C21 | N4 | C18 | 127.1° | 126.4° |
| N4 | C21 | H27 | 124.9° | 125.6° |
| N4 | C18 | C17 | 109.6° | 109.5° |
| N4 | C18 | H23 | 109.5° | 109.4° |
| N4 | C18 | H24 | 109.5° | 109.4° |
| C24 | C23 | C14 | 114.8° | 109.5° |
| C24 | C23 | C28 | 109.7° | 109.5° |
| C24 | C23 | H31 | 105.7° | 109.4° |
| C23 | C24 | H32 | 109.7° | 109.4° |
| C23 | C24 | H33 | 109.7° | 109.5° |
| C18 | C17 | C16 | 107.6° | 109.5° |
| C18 | C17 | C22 | 110.2° | 109.5° |
| C18 | C17 | H22 | 109.8° | 109.4° |
| C17 | C18 | H23 | 109.4° | 109.5° |
| C17 | C18 | H24 | 109.4° | 109.5° |
| O1 | C16 | N3 | 121.7° | 120.0° |
| O1 | C16 | C17 | 120.3° | 120.0° |
| C26 | C27 | C28 | 109.4° | 109.5° |
| C26 | C27 | H38 | 109.5° | 109.5° |
| C26 | C27 | H39 | 109.5° | 109.5° |
| C27 | C26 | H36 | 109.6° | 109.5° |
| C27 | C26 | H37 | 109.6° | 109.5° |
| N3 | C15 | C14 | 112.3° | 109.4° |
| C15 | N3 | C16 | 125.4° | 119.9° |
| N3 | C15 | H19 | 108.7° | 109.5° |
| N3 | C15 | H20 | 108.8° | 109.5° |
| C15 | N3 | H21 | 117.3° | 120.0° |
| C15 | C14 | C23 | 116.6° | 109.5° |
| C15 | C14 | N2 | 108.2° | 109.4° |
| C15 | C14 | H1 | 106.8° | 109.5° |
| C14 | C15 | H19 | 108.8° | 109.4° |
| C14 | C15 | H20 | 108.8° | 109.5° |
| N3 | C16 | C17 | 118.0° | 120.0° |
| C16 | N3 | H21 | 117.3° | 120.0° |
| C16 | C17 | C22 | 109.2° | 109.5° |
| C16 | C17 | H22 | 109.9° | 109.4° |
| C14 | C23 | C28 | 114.6° | 109.5° |
| C23 | C14 | N2 | 110.3° | 109.5° |
| C23 | C14 | H1 | 106.6° | 109.5° |
| C14 | C23 | H31 | 105.4° | 109.5° |
| C23 | C28 | C27 | 111.9° | 109.5° |
| C28 | C23 | H31 | 105.7° | 109.4° |
| C23 | C28 | H40 | 108.8° | 109.4° |
| C23 | C28 | H41 | 108.9° | 109.4° |
| C22 | C17 | H22 | 110.1° | 109.5° |
| C17 | C22 | H30 | 109.5° | 109.5° |
| C17 | C22 | H29 | 109.5° | 109.5° |
| C17 | C22 | H28 | 109.4° | 109.5° |
| C14 | N2 | C13 | 121.7° | 120.0° |
| C14 | N2 | H18 | 119.2° | 120.0° |
| N2 | C14 | H1 | 107.9° | 109.5° |
| C27 | C28 | H40 | 108.9° | 109.5° |
| C27 | C28 | H41 | 108.9° | 109.5° |
| C28 | C27 | H38 | 109.5° | 109.5° |
| C28 | C27 | H39 | 109.5° | 109.5° |
| N2 | C13 | O2 | 121.5° | 120.0° |
| N2 | C13 | C9 | 116.3° | 120.0° |
| C13 | N2 | H18 | 119.1° | 120.0° |
| O2 | C13 | C9 | 122.2° | 120.0° |
| C13 | C9 | N1 | 108.8° | 109.4° |
| C13 | C9 | C8 | 109.5° | 109.5° |
| C13 | C9 | H | 109.2° | 109.5° |
| N1 | C9 | C8 | 109.4° | 109.4° |
| C9 | N1 | C10 | 123.8° | 120.0° |
| N1 | C9 | H | 110.4° | 109.5° |
| C9 | N1 | H12 | 118.1° | 120.0° |
| C9 | C8 | C7 | 110.3° | 109.5° |
| C8 | C9 | H | 109.5° | 109.5° |
| C9 | C8 | H10 | 109.3° | 109.5° |
| C9 | C8 | H11 | 109.2° | 109.5° |
| C12 | C11 | C10 | 107.7° | 109.5° |
| C12 | C11 | H13 | 109.9° | 109.5° |
| C12 | C11 | H14 | 109.9° | 109.5° |
| C11 | C12 | H16 | 109.5° | 109.5° |
| C11 | C12 | H15 | 109.5° | 109.5° |
| C11 | C12 | H17 | 109.4° | 109.5° |
| N1 | C10 | O | 122.6° | 120.0° |
| N1 | C10 | C11 | 116.8° | 120.0° |
| C10 | N1 | H12 | 118.1° | 120.0° |
| C8 | C7 | N | 126.7° | 124.3° |
| C8 | C7 | S | 117.7° | 124.2° |
| C7 | C8 | H10 | 109.2° | 109.4° |
| C7 | C8 | H11 | 109.3° | 109.5° |
| O | C10 | C11 | 120.6° | 120.0° |
| C10 | C11 | H13 | 109.9° | 109.5° |
| C10 | C11 | H14 | 109.9° | 109.5° |
| N | C7 | S | 115.6° | 111.5° |
| C7 | N | C6 | 110.2° | 117.9° |
| C7 | S | C5 | 90.0° | 90.9° |
| N | C6 | C5 | 114.5° | 111.9° |
| N | C6 | C29 | 124.7° | 129.7° |
| S | C5 | C6 | 109.8° | 107.9° |
| S | C5 | C4 | 128.7° | 131.7° |
| C5 | C6 | C29 | 120.8° | 118.5° |
| C6 | C5 | C4 | 121.5° | 120.3° |
| C6 | C29 | C30 | 118.2° | 120.4° |
| C6 | C29 | H42 | 120.9° | 119.8° |
| C5 | C4 | C3 | 118.6° | 119.9° |
| C5 | C4 | H9 | 120.7° | 120.1° |
| C29 | C30 | C3 | 121.2° | 120.8° |
| C30 | C29 | H42 | 120.9° | 119.8° |
| C29 | C30 | H43 | 119.4° | 119.6° |
| C4 | C3 | C30 | 119.7° | 120.1° |
| C4 | C3 | C1 | 122.0° | 120.0° |
| C3 | C4 | H9 | 120.7° | 120.0° |
| C30 | C3 | C1 | 118.2° | 119.9° |
| C3 | C30 | H43 | 119.4° | 119.6° |
| C3 | C1 | C | 114.1° | 109.5° |
| C3 | C1 | C2 | 113.0° | 109.5° |
| C3 | C1 | H5 | 106.9° | 109.5° |
| C | C1 | C2 | 108.6° | 109.4° |
| C | C1 | H5 | 106.8° | 109.5° |
| C1 | C | H2 | 109.5° | 109.4° |
| C1 | C | H4 | 109.5° | 109.5° |
| C1 | C | H3 | 109.4° | 109.5° |
| C2 | C1 | H5 | 107.0° | 109.5° |
| C1 | C2 | H7 | 109.5° | 109.5° |
| C1 | C2 | H6 | 109.5° | 109.4° |
| C1 | C2 | H8 | 109.5° | 109.5° |
| H13 | C11 | H14 | 109.5° | 109.5° |
| H16 | C12 | H15 | 109.5° | 109.5° |
| H16 | C12 | H17 | 109.5° | 109.4° |
| H15 | C12 | H17 | 109.5° | 109.5° |
| H10 | C8 | H11 | 109.5° | 109.5° |
| H7 | C2 | H6 | 109.4° | 109.5° |
| H7 | C2 | H8 | 109.5° | 109.5° |
| H6 | C2 | H8 | 109.4° | 109.5° |
| H2 | C | H4 | 109.4° | 109.4° |
| H2 | C | H3 | 109.4° | 109.5° |
| H4 | C | H3 | 109.5° | 109.5° |
| H40 | C28 | H41 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.5° |
| H36 | C26 | H37 | 109.5° | 109.5° |
| H34 | C25 | H35 | 109.5° | 109.5° |
| H32 | C24 | H33 | 109.5° | 109.4° |
| H19 | C15 | H20 | 109.5° | 109.5° |
| H30 | C22 | H29 | 109.5° | 109.5° |
| H30 | C22 | H28 | 109.5° | 109.5° |
| H29 | C22 | H28 | 109.5° | 109.5° |
| H23 | C18 | H24 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C19 | C20 | N5 | H26 | 180.0° | 179.6° |
| C20 | C19 | N4 | H25 | 180.0° | 179.7° |
| C19 | C20 | N5 | C21 | 0.1° | 0.2° |
| C20 | C19 | N4 | C21 | 0.1° | 0.4° |
| C20 | C19 | N4 | C18 | 178.4° | 179.8° |
| N5 | C20 | C19 | N4 | 0.1° | 0.4° |
| C20 | N5 | C21 | N4 | 0.1° | 0.0° |
| C20 | N5 | C21 | H27 | 180.0° | 179.9° |
| N5 | C20 | C19 | H25 | 179.8° | 179.9° |
| C19 | N4 | C21 | N5 | 0.0° | 0.2° |
| C19 | N4 | C21 | C18 | 178.3° | 179.8° |
| C19 | N4 | C18 | C17 | 108.9° | 90.3° |
| C19 | N4 | C18 | H23 | 11.1° | 149.7° |
| C19 | N4 | C18 | H24 | 131.1° | 29.7° |
| C19 | N4 | C21 | H27 | 179.9° | 179.8° |
| N4 | C19 | C20 | H26 | 179.8° | 180.0° |
| N5 | C21 | N4 | H27 | 180.0° | 179.9° |
| N5 | C21 | N4 | C18 | 178.3° | 180.0° |
| C21 | N5 | C20 | H26 | 179.9° | 179.9° |
| C24 | C25 | C26 | H34 | 119.8° | 120.0° |
| C24 | C25 | C26 | H35 | 119.8° | 120.0° |
| C25 | C24 | C23 | H32 | 119.8° | 120.0° |
| C25 | C24 | C23 | H33 | 119.8° | 120.0° |
| C24 | C25 | C26 | C27 | 66.6° | 60.0° |
| C25 | C24 | C23 | C14 | 171.9° | 180.0° |
| C25 | C24 | C23 | C28 | 57.3° | 60.0° |
| C25 | C24 | C23 | H31 | 56.2° | 60.0° |
| C24 | C25 | C26 | H36 | 53.2° | 180.0° |
| C24 | C25 | C26 | H37 | 173.5° | 60.0° |
| C24 | C25 | H34 | H35 | 120.7° | 120.0° |
| C25 | C24 | H32 | H33 | 120.5° | 120.0° |
| C26 | C25 | C24 | C23 | 63.8° | 60.0° |
| C25 | C26 | C27 | H36 | 119.9° | 120.0° |
| C25 | C26 | C27 | H37 | 119.9° | 120.0° |
| C25 | C26 | C27 | C28 | 62.0° | 60.0° |
| C25 | C26 | C27 | H38 | 178.0° | 60.0° |
| C25 | C26 | C27 | H39 | 58.0° | 180.0° |
| C25 | C26 | H36 | H37 | 120.3° | 120.0° |
| C26 | C25 | H34 | H35 | 120.7° | 119.9° |
| C26 | C25 | C24 | H32 | 176.4° | 60.0° |
| C26 | C25 | C24 | H33 | 56.0° | 179.9° |
| C21 | N4 | C18 | C17 | 69.0° | 90.0° |
| C21 | N4 | C18 | H23 | 170.9° | 30.0° |
| C21 | N4 | C18 | H24 | 51.0° | 150.0° |
| C21 | N4 | C19 | H25 | 179.9° | 179.9° |
| N4 | C18 | C17 | H23 | 120.1° | 119.9° |
| N4 | C18 | C17 | H24 | 120.0° | 120.0° |
| N4 | C18 | C17 | C16 | 75.1° | 175.0° |
| N4 | C18 | C17 | C22 | 165.9° | 65.0° |
| N4 | C18 | C17 | H22 | 44.5° | 55.1° |
| N4 | C18 | H23 | H24 | 120.0° | 119.9° |
| C18 | N4 | C21 | H27 | 1.7° | 0.0° |
| C18 | N4 | C19 | H25 | 1.6° | 0.2° |
| C24 | C23 | C14 | C15 | 25.0° | 60.0° |
| C24 | C23 | C14 | C28 | 128.4° | 120.0° |
| C24 | C23 | C14 | H31 | 115.9° | 120.0° |
| C24 | C23 | C28 | H31 | 113.6° | 119.9° |
| C24 | C23 | C14 | N2 | 148.9° | 60.0° |
| C24 | C23 | C28 | C27 | 54.0° | 59.9° |
| C24 | C23 | C14 | H1 | 94.2° | 180.0° |
| C24 | C23 | C28 | H40 | 174.4° | 180.0° |
| C24 | C23 | C28 | H41 | 66.3° | 60.1° |
| C23 | C24 | C25 | H34 | 176.4° | 60.0° |
| C23 | C24 | C25 | H35 | 56.0° | 180.0° |
| C23 | C24 | H32 | H33 | 120.5° | 120.0° |
| C18 | C17 | C16 | O1 | 67.8° | 0.1° |
| C18 | C17 | C16 | N3 | 111.0° | 180.0° |
| C18 | C17 | C16 | C22 | 119.6° | 120.1° |
| C18 | C17 | C16 | H22 | 119.5° | 119.9° |
| C18 | C17 | C22 | H22 | 121.2° | 120.0° |
| C18 | C17 | C22 | H30 | 180.0° | 60.0° |
| C18 | C17 | C22 | H29 | 60.0° | 180.0° |
| C18 | C17 | C22 | H28 | 60.0° | 60.0° |
| C17 | C18 | H23 | H24 | 119.9° | 120.1° |
| O1 | C16 | N3 | C15 | 1.9° | 0.0° |
| O1 | C16 | N3 | C17 | 178.8° | 179.9° |
| O1 | C16 | C17 | C22 | 51.8° | 120.0° |
| O1 | C16 | N3 | H21 | 178.1° | 180.0° |
| O1 | C16 | C17 | H22 | 172.7° | 120.0° |
| C26 | C27 | C28 | C23 | 56.2° | 60.0° |
| C26 | C27 | C28 | H38 | 120.0° | 120.0° |
| C26 | C27 | C28 | H39 | 120.0° | 120.0° |
| C26 | C27 | C28 | H40 | 176.6° | 180.0° |
| C26 | C27 | C28 | H41 | 64.1° | 60.0° |
| C26 | C27 | H38 | H39 | 120.0° | 120.0° |
| C27 | C26 | H36 | H37 | 120.3° | 120.1° |
| C27 | C26 | C25 | H34 | 173.6° | 60.0° |
| C27 | C26 | C25 | H35 | 53.1° | 180.0° |
| N3 | C15 | C14 | H19 | 120.4° | 120.0° |
| N3 | C15 | C14 | H20 | 120.4° | 120.0° |
| C15 | N3 | C16 | H21 | 180.0° | 180.0° |
| C15 | N3 | C16 | C17 | 179.3° | 180.0° |
| N3 | C15 | C14 | C23 | 175.2° | 175.0° |
| N3 | C15 | C14 | N2 | 59.8° | 55.0° |
| N3 | C15 | C14 | H1 | 56.1° | 65.0° |
| N3 | C15 | H19 | H20 | 118.7° | 120.1° |
| C14 | C15 | N3 | C16 | 57.1° | 180.0° |
| C15 | C14 | C23 | N2 | 123.9° | 120.0° |
| C15 | C14 | C23 | H1 | 119.2° | 120.0° |
| C15 | C14 | C23 | C28 | 103.3° | 180.0° |
| C15 | C14 | N2 | H1 | 115.3° | 120.0° |
| C15 | C14 | N2 | C13 | 146.6° | 155.0° |
| C15 | C14 | N2 | H18 | 33.4° | 25.0° |
| C15 | C14 | C23 | H31 | 140.9° | 60.0° |
| C14 | C15 | H19 | H20 | 118.7° | 120.0° |
| C14 | C15 | N3 | H21 | 122.9° | 0.0° |
| N3 | C16 | C17 | C22 | 129.3° | 60.0° |
| C16 | N3 | C15 | H19 | 177.5° | 60.0° |
| C16 | N3 | C15 | H20 | 63.3° | 60.0° |
| N3 | C16 | C17 | H22 | 8.5° | 60.1° |
| C16 | C17 | C22 | H22 | 120.8° | 120.0° |
| C17 | C16 | N3 | H21 | 0.7° | 0.1° |
| C16 | C17 | C22 | H30 | 61.9° | 180.0° |
| C16 | C17 | C22 | H29 | 58.0° | 60.0° |
| C16 | C17 | C22 | H28 | 178.0° | 60.0° |
| C16 | C17 | C18 | H23 | 45.0° | 65.1° |
| C16 | C17 | C18 | H24 | 164.9° | 55.0° |
| C14 | C23 | C28 | H31 | 115.6° | 120.0° |
| C23 | C14 | N2 | H1 | 116.1° | 120.0° |
| C14 | C23 | C28 | C27 | 175.1° | 180.0° |
| C23 | C14 | N2 | C13 | 84.8° | 85.0° |
| C23 | C14 | N2 | H18 | 95.2° | 95.0° |
| C14 | C23 | C28 | H40 | 54.8° | 60.0° |
| C14 | C23 | C28 | H41 | 64.5° | 60.0° |
| C14 | C23 | C24 | H32 | 52.1° | 60.0° |
| C14 | C23 | C24 | H33 | 68.3° | 60.0° |
| C23 | C14 | C15 | H19 | 64.4° | 65.0° |
| C23 | C14 | C15 | H20 | 54.8° | 55.0° |
| C28 | C23 | C14 | N2 | 20.6° | 60.0° |
| C23 | C28 | C27 | H40 | 120.3° | 120.0° |
| C23 | C28 | C27 | H41 | 120.3° | 120.0° |
| C28 | C23 | C14 | H1 | 137.5° | 60.0° |
| C23 | C28 | H40 | H41 | 118.9° | 120.0° |
| C23 | C28 | C27 | H38 | 176.2° | 60.0° |
| C23 | C28 | C27 | H39 | 63.8° | 180.0° |
| C28 | C23 | C24 | H32 | 177.2° | 60.1° |
| C28 | C23 | C24 | H33 | 62.5° | 180.0° |
| C17 | C22 | H30 | H29 | 120.0° | 120.0° |
| C17 | C22 | H30 | H28 | 120.0° | 120.0° |
| C17 | C22 | H29 | H28 | 119.9° | 120.0° |
| C22 | C17 | C18 | H23 | 74.0° | 55.0° |
| C22 | C17 | C18 | H24 | 45.9° | 175.0° |
| C14 | N2 | C13 | H18 | 180.0° | 180.0° |
| C14 | N2 | C13 | O2 | 1.4° | 0.0° |
| C14 | N2 | C13 | C9 | 177.1° | 179.7° |
| N2 | C14 | C23 | H31 | 95.2° | 180.0° |
| N2 | C14 | C15 | H19 | 60.6° | 175.0° |
| N2 | C14 | C15 | H20 | 179.8° | 65.0° |
| C27 | C28 | C23 | H31 | 59.5° | 60.0° |
| C27 | C28 | H40 | H41 | 118.9° | 120.0° |
| C28 | C27 | H38 | H39 | 120.1° | 120.0° |
| C28 | C27 | C26 | H36 | 57.9° | 180.0° |
| C28 | C27 | C26 | H37 | 178.2° | 59.9° |
| N2 | C13 | O2 | C9 | 178.4° | 179.6° |
| N2 | C13 | C9 | N1 | 96.6° | 160.3° |
| N2 | C13 | C9 | C8 | 143.9° | 79.7° |
| N2 | C13 | C9 | H | 23.9° | 40.4° |
| C13 | N2 | C14 | H1 | 31.3° | 35.0° |
| O2 | C13 | C9 | N1 | 81.9° | 20.0° |
| O2 | C13 | C9 | C8 | 37.7° | 99.9° |
| O2 | C13 | C9 | H | 157.6° | 140.0° |
| O2 | C13 | N2 | H18 | 178.6° | 180.0° |
| C13 | C9 | N1 | C8 | 119.6° | 120.0° |
| C13 | C9 | N1 | H | 119.8° | 120.0° |
| C13 | C9 | C8 | H | 119.8° | 120.0° |
| C13 | C9 | N1 | C10 | 99.8° | 60.0° |
| C13 | C9 | C8 | C7 | 175.5° | 175.0° |
| C13 | C9 | N1 | H12 | 80.2° | 120.0° |
| C13 | C9 | C8 | H10 | 64.4° | 65.0° |
| C13 | C9 | C8 | H11 | 55.4° | 55.0° |
| C9 | C13 | N2 | H18 | 2.9° | 0.3° |
| N1 | C9 | C8 | H | 121.1° | 120.0° |
| C9 | N1 | C10 | H12 | 180.0° | 180.0° |
| N1 | C9 | C8 | C7 | 65.4° | 65.0° |
| C9 | N1 | C10 | O | 4.5° | 0.0° |
| C9 | N1 | C10 | C11 | 175.8° | 180.0° |
| N1 | C9 | C8 | H10 | 54.7° | 54.9° |
| N1 | C9 | C8 | H11 | 174.5° | 175.0° |
| C8 | C9 | N1 | C10 | 140.6° | 60.0° |
| C9 | C8 | C7 | H10 | 120.1° | 120.0° |
| C9 | C8 | C7 | H11 | 120.1° | 120.0° |
| C9 | C8 | C7 | N | 77.1° | 90.0° |
| C9 | C8 | C7 | S | 102.0° | 89.7° |
| C8 | C9 | N1 | H12 | 39.4° | 120.0° |
| C9 | C8 | H10 | H11 | 119.6° | 120.0° |
| C12 | C11 | C10 | N1 | 110.0° | 180.0° |
| C12 | C11 | C10 | O | 69.7° | 0.0° |
| C12 | C11 | C10 | H13 | 119.7° | 120.0° |
| C12 | C11 | C10 | H14 | 119.7° | 120.0° |
| C12 | C11 | H13 | H14 | 120.8° | 120.0° |
| C11 | C12 | H16 | H15 | 120.0° | 120.0° |
| C11 | C12 | H16 | H17 | 120.0° | 120.0° |
| C11 | C12 | H15 | H17 | 120.0° | 120.0° |
| N1 | C10 | O | C11 | 179.7° | 180.0° |
| C10 | N1 | C9 | H | 20.0° | 180.0° |
| N1 | C10 | C11 | H13 | 130.3° | 60.0° |
| N1 | C10 | C11 | H14 | 9.7° | 60.0° |
| C8 | C7 | N | S | 179.1° | 179.8° |
| C8 | C7 | N | C6 | 179.2° | 179.8° |
| C8 | C7 | S | C5 | 178.8° | 180.0° |
| C7 | C8 | C9 | H | 55.7° | 55.0° |
| C7 | C8 | H10 | H11 | 119.6° | 120.0° |
| O | C10 | N1 | H12 | 175.6° | 180.0° |
| O | C10 | C11 | H13 | 50.0° | 120.0° |
| O | C10 | C11 | H14 | 170.6° | 120.0° |
| C11 | C10 | N1 | H12 | 4.1° | 0.0° |
| C10 | C11 | H13 | H14 | 120.8° | 120.0° |
| C10 | C11 | C12 | H16 | 180.0° | 60.0° |
| C10 | C11 | C12 | H15 | 60.0° | 60.0° |
| C10 | C11 | C12 | H17 | 60.0° | 179.9° |
| N | C7 | S | C5 | 0.4° | 0.2° |
| C7 | N | C6 | C5 | 0.6° | 0.4° |
| C7 | N | C6 | C29 | 179.0° | 180.0° |
| N | C7 | C8 | H10 | 162.8° | 30.0° |
| N | C7 | C8 | H11 | 43.0° | 150.0° |
| S | C7 | N | C6 | 0.1° | 0.4° |
| C7 | S | C5 | C6 | 0.7° | 0.0° |
| C7 | S | C5 | C4 | 180.0° | 180.0° |
| S | C7 | C8 | H10 | 18.1° | 150.2° |
| S | C7 | C8 | H11 | 137.9° | 30.3° |
| N | C6 | C5 | S | 0.9° | 0.2° |
| N | C6 | C5 | C29 | 179.7° | 179.6° |
| N | C6 | C5 | C4 | 179.8° | 179.8° |
| N | C6 | C29 | C30 | 179.5° | 179.9° |
| N | C6 | C29 | H42 | 0.5° | 0.1° |
| S | C5 | C6 | C4 | 179.3° | 180.0° |
| S | C5 | C6 | C29 | 178.8° | 179.8° |
| S | C5 | C4 | C3 | 178.0° | 180.0° |
| S | C5 | C4 | H9 | 2.1° | 0.0° |
| C5 | C6 | C29 | C30 | 0.1° | 0.4° |
| C6 | C5 | C4 | C3 | 1.3° | 0.0° |
| C6 | C5 | C4 | H9 | 178.7° | 180.0° |
| C5 | C6 | C29 | H42 | 179.8° | 179.6° |
| C29 | C6 | C5 | C4 | 0.6° | 0.2° |
| C6 | C29 | C30 | H42 | 180.0° | 180.0° |
| C6 | C29 | C30 | C3 | 0.2° | 0.5° |
| C6 | C29 | C30 | H43 | 179.8° | 180.0° |
| C5 | C4 | C3 | H9 | 180.0° | 180.0° |
| C5 | C4 | C3 | C30 | 1.2° | 0.0° |
| C5 | C4 | C3 | C1 | 174.9° | 180.0° |
| C29 | C30 | C3 | C4 | 0.5° | 0.3° |
| C29 | C30 | C3 | H43 | 180.0° | 179.5° |
| C29 | C30 | C3 | C1 | 175.8° | 179.8° |
| C4 | C3 | C30 | C1 | 176.3° | 179.9° |
| C4 | C3 | C1 | C | 22.0° | 120.0° |
| C4 | C3 | C1 | C2 | 102.8° | 120.0° |
| C4 | C3 | C30 | H43 | 179.5° | 179.8° |
| C4 | C3 | C1 | H5 | 139.8° | 0.1° |
| C30 | C3 | C1 | C | 154.2° | 59.9° |
| C30 | C3 | C1 | C2 | 81.1° | 60.0° |
| C30 | C3 | C4 | H9 | 178.8° | 180.0° |
| C3 | C30 | C29 | H42 | 179.8° | 179.5° |
| C30 | C3 | C1 | H5 | 36.3° | 180.0° |
| C3 | C1 | C | C2 | 127.0° | 120.0° |
| C3 | C1 | C | H5 | 117.9° | 120.0° |
| C3 | C1 | C2 | H5 | 117.4° | 120.0° |
| C1 | C3 | C4 | H9 | 5.1° | 0.0° |
| C1 | C3 | C30 | H43 | 4.2° | 0.3° |
| C3 | C1 | C2 | H7 | 180.0° | 180.0° |
| C3 | C1 | C2 | H6 | 60.0° | 60.0° |
| C3 | C1 | C2 | H8 | 60.0° | 60.0° |
| C3 | C1 | C | H2 | 180.0° | 60.1° |
| C3 | C1 | C | H4 | 60.0° | 180.0° |
| C3 | C1 | C | H3 | 60.0° | 60.0° |
| C | C1 | C2 | H5 | 115.0° | 120.0° |
| C | C1 | C2 | H7 | 52.4° | 60.0° |
| C | C1 | C2 | H6 | 172.3° | 180.0° |
| C | C1 | C2 | H8 | 67.7° | 60.0° |
| C1 | C | H2 | H4 | 120.0° | 119.9° |
| C1 | C | H2 | H3 | 120.0° | 120.0° |
| C1 | C | H4 | H3 | 120.0° | 120.0° |
| C1 | C2 | H7 | H6 | 120.0° | 119.9° |
| C1 | C2 | H7 | H8 | 120.0° | 120.0° |
| C1 | C2 | H6 | H8 | 120.0° | 120.0° |
| C2 | C1 | C | H2 | 53.0° | 180.0° |
| C2 | C1 | C | H4 | 67.0° | 60.0° |
| C2 | C1 | C | H3 | 173.0° | 60.0° |
| H | C9 | N1 | H12 | 160.0° | 0.0° |
| H | C9 | C8 | H10 | 175.9° | 175.0° |
| H | C9 | C8 | H11 | 64.4° | 65.0° |
| H13 | C11 | C12 | H16 | 60.3° | NaN° |
| H13 | C11 | C12 | H15 | 59.8° | 60.0° |
| H13 | C11 | C12 | H17 | 179.7° | 60.0° |
| H14 | C11 | C12 | H16 | 60.2° | 60.0° |
| H14 | C11 | C12 | H15 | 179.7° | 180.0° |
| H14 | C11 | C12 | H17 | 59.8° | 60.0° |
| H16 | C12 | H15 | H17 | 120.0° | 120.0° |
| H42 | C29 | C30 | H43 | 0.2° | 0.0° |
| H5 | C1 | C2 | H7 | 62.6° | 60.0° |
| H5 | C1 | C2 | H6 | 57.4° | 60.0° |
| H5 | C1 | C2 | H8 | 177.3° | 180.0° |
| H5 | C1 | C | H2 | 62.1° | 60.0° |
| H5 | C1 | C | H4 | 177.9° | 60.0° |
| H5 | C1 | C | H3 | 57.9° | 180.0° |
| H7 | C2 | H6 | H8 | 120.0° | 120.0° |
| H2 | C | H4 | H3 | 120.0° | 120.1° |
| H18 | N2 | C14 | H1 | 148.7° | 145.0° |
| H1 | C14 | C23 | H31 | 21.7° | 60.0° |
| H1 | C14 | C15 | H19 | 176.5° | 55.0° |
| H1 | C14 | C15 | H20 | 64.3° | 175.0° |
| H31 | C23 | C28 | H40 | 60.8° | 60.0° |
| H31 | C23 | C28 | H41 | 179.9° | 180.0° |
| H31 | C23 | C24 | H32 | 63.6° | 180.0° |
| H31 | C23 | C24 | H33 | 176.0° | 60.1° |
| H40 | C28 | C27 | H38 | 63.5° | 60.0° |
| H40 | C28 | C27 | H39 | 56.6° | 60.0° |
| H41 | C28 | C27 | H38 | 55.8° | 180.0° |
| H41 | C28 | C27 | H39 | 175.9° | 60.0° |
| H38 | C27 | C26 | H36 | 62.1° | 59.9° |
| H38 | C27 | C26 | H37 | 58.2° | 180.0° |
| H39 | C27 | C26 | H36 | 177.9° | 60.0° |
| H39 | C27 | C26 | H37 | 61.9° | 60.0° |
| H36 | C26 | C25 | H34 | 66.5° | 60.0° |
| H36 | C26 | C25 | H35 | 173.0° | 60.0° |
| H37 | C26 | C25 | H34 | 53.7° | 180.0° |
| H37 | C26 | C25 | H35 | 66.7° | 60.0° |
| H34 | C25 | C24 | H32 | 56.6° | 180.0° |
| H34 | C25 | C24 | H33 | 63.8° | 60.1° |
| H35 | C25 | C24 | H32 | 63.9° | 60.0° |
| H35 | C25 | C24 | H33 | 175.8° | 60.0° |
| H19 | C15 | N3 | H21 | 2.4° | 120.0° |
| H20 | C15 | N3 | H21 | 116.7° | 119.9° |
| H22 | C17 | C22 | H30 | 58.8° | 60.0° |
| H22 | C17 | C22 | H29 | 178.8° | 60.0° |
| H22 | C17 | C22 | H28 | 61.2° | 180.0° |
| H22 | C17 | C18 | H23 | 164.5° | 175.0° |
| H22 | C17 | C18 | H24 | 75.5° | 64.9° |
| H30 | C22 | H29 | H28 | 120.0° | 120.0° |
| H26 | C20 | C19 | H25 | 0.2° | 0.3° |
