P0O
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C14 | C13 | sing | 1.51Å | 1.50Å | |
| O1 | C13 | doub | 1.21Å | 1.24Å | |
| C13 | C12 | sing | 1.46Å | 1.48Å | |
| C12 | C11 | doub | 1.33Å | 1.33Å | |
| C11 | C10 | sing | 1.51Å | 1.53Å | |
| C23 | C21 | sing | 1.53Å | 1.51Å | |
| C10 | N2 | sing | 1.46Å | 1.45Å | |
| C10 | C15 | sing | 1.53Å | 1.53Å | |
| C20 | C21 | sing | 1.57Å | 1.51Å | |
| C20 | C7 | sing | 1.54Å | 1.52Å | |
| C20 | C8 | sing | 1.55Å | 1.52Å | |
| N2 | C9 | sing | 1.35Å | 1.34Å | |
| C21 | C7 | sing | 1.53Å | 1.50Å | |
| C21 | C22 | sing | 1.53Å | 1.52Å | |
| C15 | C16 | sing | 1.53Å | 1.54Å | |
| C9 | O3 | doub | 1.21Å | 1.23Å | |
| C9 | C8 | sing | 1.51Å | 1.53Å | |
| C7 | C6 | sing | 1.54Å | 1.52Å | |
| C8 | N1 | sing | 1.48Å | 1.46Å | |
| C16 | C17 | sing | 1.55Å | 1.53Å | |
| C16 | C19 | sing | 1.51Å | 1.52Å | |
| C17 | C18 | sing | 1.55Å | 1.53Å | |
| C6 | N1 | sing | 1.48Å | 1.47Å | |
| N1 | C5 | sing | 1.35Å | 1.34Å | |
| C19 | O2 | doub | 1.21Å | 1.24Å | |
| C19 | N3 | sing | 1.34Å | 1.33Å | |
| O4 | C5 | doub | 1.21Å | 1.23Å | |
| C5 | C4 | sing | 1.51Å | 1.53Å | |
| C18 | N3 | sing | 1.47Å | 1.46Å | |
| C1 | C2 | sing | 1.53Å | 1.53Å | |
| C4 | C2 | sing | 1.53Å | 1.54Å | |
| C4 | N4 | sing | 1.46Å | 1.45Å | |
| C2 | C3 | sing | 1.53Å | 1.53Å | |
| C2 | C29 | sing | 1.53Å | 1.53Å | |
| N4 | C24 | sing | 1.35Å | 1.35Å | |
| O5 | C24 | doub | 1.22Å | 1.24Å | |
| C24 | N5 | sing | 1.35Å | 1.35Å | |
| C27 | C25 | sing | 1.53Å | 1.52Å | |
| N5 | C25 | sing | 1.46Å | 1.48Å | |
| C25 | C26 | sing | 1.53Å | 1.52Å | |
| C25 | C28 | sing | 1.53Å | 1.52Å | |
| N3 | H1 | sing | 0.97Å | 1.00Å | |
| C4 | H2 | sing | 1.09Å | 1.10Å | |
| C6 | H3 | sing | 1.09Å | 1.10Å | |
| C6 | H4 | sing | 1.09Å | 1.10Å | |
| C7 | H5 | sing | 1.09Å | 1.10Å | |
| C8 | H6 | sing | 1.09Å | 1.10Å | |
| C10 | H7 | sing | 1.09Å | 1.10Å | |
| C15 | H8 | sing | 1.09Å | 1.10Å | |
| C15 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C20 | H12 | sing | 1.09Å | 1.10Å | |
| C22 | H13 | sing | 1.09Å | 1.10Å | |
| C22 | H14 | sing | 1.09Å | 1.10Å | |
| C22 | H15 | sing | 1.09Å | 1.10Å | |
| C26 | H16 | sing | 1.09Å | 1.10Å | |
| C26 | H17 | sing | 1.09Å | 1.10Å | |
| C26 | H18 | sing | 1.09Å | 1.10Å | |
| C28 | H19 | sing | 1.09Å | 1.10Å | |
| C28 | H20 | sing | 1.09Å | 1.10Å | |
| C28 | H21 | sing | 1.09Å | 1.10Å | |
| C1 | H22 | sing | 1.09Å | 1.10Å | |
| C1 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C11 | H25 | sing | 1.08Å | 1.08Å | |
| C12 | H27 | sing | 1.08Å | 1.08Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C14 | H30 | sing | 1.09Å | 1.10Å | |
| C14 | H31 | sing | 1.09Å | 1.10Å | |
| C16 | H32 | sing | 1.09Å | 1.10Å | |
| C18 | H33 | sing | 1.09Å | 1.10Å | |
| C18 | H34 | sing | 1.09Å | 1.10Å | |
| C23 | H35 | sing | 1.09Å | 1.10Å | |
| C23 | H36 | sing | 1.09Å | 1.10Å | |
| C23 | H37 | sing | 1.09Å | 1.10Å | |
| C27 | H38 | sing | 1.09Å | 1.10Å | |
| C27 | H39 | sing | 1.09Å | 1.10Å | |
| C27 | H40 | sing | 1.09Å | 1.10Å | |
| C29 | H41 | sing | 1.09Å | 1.10Å | |
| C29 | H42 | sing | 1.09Å | 1.10Å | |
| C29 | H43 | sing | 1.09Å | 1.10Å | |
| C3 | H44 | sing | 1.09Å | 1.10Å | |
| C3 | H45 | sing | 1.09Å | 1.10Å | |
| C3 | H46 | sing | 1.09Å | 1.10Å | |
| N2 | H47 | sing | 0.97Å | 1.00Å | |
| N4 | H48 | sing | 0.97Å | 1.00Å | |
| N5 | H49 | sing | 0.97Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C14 | C13 | O1 | 119.1° | 120.0° |
| C14 | C13 | C12 | 118.8° | 120.1° |
| C13 | C14 | H29 | 109.5° | 109.5° |
| C13 | C14 | H30 | 109.5° | 109.5° |
| C13 | C14 | H31 | 109.5° | 109.4° |
| O1 | C13 | C12 | 122.1° | 120.0° |
| C13 | C12 | C11 | 126.8° | 120.0° |
| C13 | C12 | H27 | 116.6° | 120.0° |
| C12 | C11 | C10 | 122.2° | 120.0° |
| C12 | C11 | H25 | 118.9° | 120.0° |
| C11 | C12 | H27 | 116.6° | 120.0° |
| C11 | C10 | N2 | 110.6° | 109.5° |
| C11 | C10 | C15 | 112.8° | 109.5° |
| C11 | C10 | H7 | 106.8° | 109.4° |
| C10 | C11 | H25 | 118.9° | 120.0° |
| C23 | C21 | C20 | 115.4° | 117.5° |
| C23 | C21 | C7 | 118.1° | 117.7° |
| C23 | C21 | C22 | 112.7° | 115.5° |
| C21 | C23 | H35 | 109.5° | 109.5° |
| C21 | C23 | H36 | 109.5° | 109.5° |
| C21 | C23 | H37 | 109.5° | 109.4° |
| N2 | C10 | C15 | 111.9° | 109.5° |
| C10 | N2 | C9 | 122.3° | 120.0° |
| N2 | C10 | H7 | 107.7° | 109.5° |
| C10 | N2 | H47 | 118.8° | 120.0° |
| C10 | C15 | C16 | 110.2° | 109.5° |
| C15 | C10 | H7 | 106.7° | 109.5° |
| C10 | C15 | H8 | 109.3° | 109.5° |
| C10 | C15 | H9 | 109.3° | 109.5° |
| C21 | C20 | C7 | 59.4° | 58.9° |
| C21 | C20 | C8 | 117.3° | 118.3° |
| C20 | C21 | C7 | 60.6° | 59.6° |
| C20 | C21 | C22 | 123.2° | 117.5° |
| C21 | C20 | H12 | 119.1° | 119.5° |
| C7 | C20 | C8 | 108.3° | 104.9° |
| C20 | C7 | C21 | 60.1° | 61.5° |
| C20 | C7 | C6 | 107.8° | 105.0° |
| C20 | C7 | H5 | 117.7° | 121.8° |
| C7 | C20 | H12 | 119.0° | 122.1° |
| C20 | C8 | C9 | 111.9° | 110.6° |
| C20 | C8 | N1 | 104.5° | 104.4° |
| C20 | C8 | H6 | 109.8° | 110.4° |
| C8 | C20 | H12 | 119.0° | 118.2° |
| N2 | C9 | O3 | 123.1° | 120.0° |
| N2 | C9 | C8 | 115.5° | 120.0° |
| C9 | N2 | H47 | 118.9° | 120.0° |
| C7 | C21 | C22 | 117.5° | 117.7° |
| C21 | C7 | C6 | 120.8° | 118.1° |
| C21 | C7 | H5 | 118.0° | 119.5° |
| C21 | C22 | H13 | 109.5° | 109.4° |
| C21 | C22 | H14 | 109.4° | 109.5° |
| C21 | C22 | H15 | 109.5° | 109.4° |
| C15 | C16 | C17 | 115.5° | 110.5° |
| C15 | C16 | C19 | 114.1° | 110.4° |
| C16 | C15 | H8 | 109.3° | 109.5° |
| C16 | C15 | H9 | 109.3° | 109.5° |
| C15 | C16 | H32 | 107.7° | 110.5° |
| O3 | C9 | C8 | 121.3° | 120.0° |
| C9 | C8 | N1 | 110.3° | 110.4° |
| C9 | C8 | H6 | 109.7° | 110.3° |
| C7 | C6 | N1 | 104.4° | 104.6° |
| C7 | C6 | H3 | 110.7° | 110.5° |
| C7 | C6 | H4 | 110.7° | 110.5° |
| C6 | C7 | H5 | 117.7° | 117.7° |
| C8 | N1 | C6 | 114.0° | 104.4° |
| C8 | N1 | C5 | 119.6° | 127.8° |
| N1 | C8 | H6 | 110.6° | 110.4° |
| C17 | C16 | C19 | 103.2° | 104.2° |
| C16 | C17 | C18 | 104.3° | 101.7° |
| C16 | C17 | H10 | 110.7° | 110.9° |
| C16 | C17 | H11 | 110.8° | 111.1° |
| C17 | C16 | H32 | 107.9° | 110.5° |
| C16 | C19 | O2 | 125.6° | 125.0° |
| C16 | C19 | N3 | 108.9° | 110.1° |
| C19 | C16 | H32 | 108.0° | 110.6° |
| C17 | C18 | N3 | 102.5° | 105.5° |
| C18 | C17 | H10 | 110.7° | 111.0° |
| C18 | C17 | H11 | 110.7° | 110.9° |
| C17 | C18 | H33 | 111.2° | 110.2° |
| C17 | C18 | H34 | 111.2° | 110.2° |
| C6 | N1 | C5 | 126.4° | 127.8° |
| N1 | C6 | H3 | 110.7° | 110.4° |
| N1 | C6 | H4 | 110.7° | 110.3° |
| N1 | C5 | O4 | 120.7° | 120.0° |
| N1 | C5 | C4 | 117.6° | 120.0° |
| O2 | C19 | N3 | 125.5° | 124.9° |
| C19 | N3 | C18 | 113.4° | 111.3° |
| C19 | N3 | H1 | 123.3° | 124.4° |
| O4 | C5 | C4 | 121.7° | 120.0° |
| C5 | C4 | C2 | 113.2° | 109.5° |
| C5 | C4 | N4 | 108.7° | 109.5° |
| C5 | C4 | H2 | 107.9° | 109.5° |
| C18 | N3 | H1 | 123.3° | 124.3° |
| N3 | C18 | H33 | 111.2° | 110.3° |
| N3 | C18 | H34 | 111.2° | 110.3° |
| C1 | C2 | C4 | 110.3° | 109.5° |
| C1 | C2 | C3 | 108.9° | 109.5° |
| C1 | C2 | C29 | 108.9° | 109.4° |
| C2 | C1 | H22 | 109.5° | 109.5° |
| C2 | C1 | H23 | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.4° |
| C2 | C4 | N4 | 110.4° | 109.5° |
| C4 | C2 | C3 | 110.9° | 109.5° |
| C4 | C2 | C29 | 109.8° | 109.4° |
| C2 | C4 | H2 | 107.7° | 109.5° |
| C4 | N4 | C24 | 121.5° | 120.0° |
| N4 | C4 | H2 | 108.9° | 109.4° |
| C4 | N4 | H48 | 119.3° | 120.0° |
| C3 | C2 | C29 | 108.0° | 109.5° |
| C2 | C3 | H44 | 109.5° | 109.4° |
| C2 | C3 | H45 | 109.5° | 109.5° |
| C2 | C3 | H46 | 109.4° | 109.4° |
| C2 | C29 | H41 | 109.5° | 109.5° |
| C2 | C29 | H42 | 109.5° | 109.4° |
| C2 | C29 | H43 | 109.5° | 109.4° |
| N4 | C24 | O5 | 120.8° | 120.0° |
| N4 | C24 | N5 | 114.8° | 120.0° |
| C24 | N4 | H48 | 119.3° | 119.9° |
| O5 | C24 | N5 | 124.4° | 120.0° |
| C24 | N5 | C25 | 126.6° | 120.0° |
| C24 | N5 | H49 | 116.7° | 120.0° |
| C27 | C25 | N5 | 108.1° | 109.4° |
| C27 | C25 | C26 | 110.5° | 109.5° |
| C27 | C25 | C28 | 109.9° | 109.4° |
| C25 | C27 | H38 | 109.5° | 109.4° |
| C25 | C27 | H39 | 109.5° | 109.5° |
| C25 | C27 | H40 | 109.4° | 109.5° |
| N5 | C25 | C26 | 109.9° | 109.5° |
| N5 | C25 | C28 | 108.7° | 109.5° |
| C25 | N5 | H49 | 116.7° | 120.1° |
| C26 | C25 | C28 | 109.8° | 109.5° |
| C25 | C26 | H16 | 109.5° | 109.4° |
| C25 | C26 | H17 | 109.5° | 109.5° |
| C25 | C26 | H18 | 109.5° | 109.4° |
| C25 | C28 | H19 | 109.5° | 109.5° |
| C25 | C28 | H20 | 109.4° | 109.5° |
| C25 | C28 | H21 | 109.5° | 109.4° |
| H3 | C6 | H4 | 109.5° | 110.4° |
| H8 | C15 | H9 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 110.8° |
| H13 | C22 | H14 | 109.5° | 109.5° |
| H13 | C22 | H15 | 109.5° | 109.5° |
| H14 | C22 | H15 | 109.5° | 109.5° |
| H16 | C26 | H17 | 109.4° | 109.5° |
| H16 | C26 | H18 | 109.5° | 109.5° |
| H17 | C26 | H18 | 109.5° | 109.5° |
| H19 | C28 | H20 | 109.5° | 109.5° |
| H19 | C28 | H21 | 109.4° | 109.5° |
| H20 | C28 | H21 | 109.5° | 109.5° |
| H22 | C1 | H23 | 109.4° | 109.4° |
| H22 | C1 | H24 | 109.5° | 109.5° |
| H23 | C1 | H24 | 109.5° | 109.5° |
| H29 | C14 | H30 | 109.5° | 109.5° |
| H29 | C14 | H31 | 109.5° | 109.5° |
| H30 | C14 | H31 | 109.5° | 109.5° |
| H33 | C18 | H34 | 109.5° | 110.2° |
| H35 | C23 | H36 | 109.4° | 109.5° |
| H35 | C23 | H37 | 109.4° | 109.4° |
| H36 | C23 | H37 | 109.5° | 109.5° |
| H38 | C27 | H39 | 109.5° | 109.5° |
| H38 | C27 | H40 | 109.5° | 109.4° |
| H39 | C27 | H40 | 109.5° | 109.5° |
| H41 | C29 | H42 | 109.5° | 109.5° |
| H41 | C29 | H43 | 109.5° | 109.5° |
| H42 | C29 | H43 | 109.5° | 109.5° |
| H44 | C3 | H45 | 109.5° | 109.5° |
| H44 | C3 | H46 | 109.5° | 109.5° |
| H45 | C3 | H46 | 109.4° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C14 | C13 | O1 | C12 | 179.9° | 180.0° |
| C14 | C13 | C12 | C11 | 171.5° | 180.0° |
| C14 | C13 | C12 | H27 | 8.5° | 0.0° |
| C13 | C14 | H29 | H30 | 120.0° | 120.0° |
| C13 | C14 | H29 | H31 | 120.0° | 120.0° |
| C13 | C14 | H30 | H31 | 120.0° | 120.0° |
| O1 | C13 | C12 | C11 | 8.6° | 0.0° |
| O1 | C13 | C12 | H27 | 171.4° | 180.0° |
| O1 | C13 | C14 | H29 | 0.0° | 90.0° |
| O1 | C13 | C14 | H30 | 120.0° | 30.0° |
| O1 | C13 | C14 | H31 | 120.0° | 150.0° |
| C13 | C12 | C11 | H27 | 180.0° | 180.0° |
| C13 | C12 | C11 | C10 | 135.9° | 180.0° |
| C13 | C12 | C11 | H25 | 44.0° | 0.0° |
| C12 | C13 | C14 | H29 | 179.9° | 90.0° |
| C12 | C13 | C14 | H30 | 59.9° | 150.0° |
| C12 | C13 | C14 | H31 | 60.1° | 30.0° |
| C12 | C11 | C10 | H25 | 180.0° | 180.0° |
| C12 | C11 | C10 | N2 | 68.5° | 5.0° |
| C12 | C11 | C10 | C15 | 165.4° | 125.0° |
| C12 | C11 | C10 | H7 | 48.4° | 115.0° |
| C11 | C10 | N2 | C15 | 126.6° | 120.0° |
| C11 | C10 | N2 | H7 | 116.4° | 120.0° |
| C11 | C10 | C15 | H7 | 117.0° | 120.0° |
| C11 | C10 | N2 | C9 | 114.3° | 85.0° |
| C11 | C10 | C15 | C16 | 161.2° | 175.0° |
| C11 | C10 | C15 | H8 | 78.7° | 65.0° |
| C11 | C10 | C15 | H9 | 41.0° | 55.0° |
| C10 | C11 | C12 | H27 | 44.1° | 0.0° |
| C11 | C10 | N2 | H47 | 65.7° | 95.0° |
| C23 | C21 | C20 | C7 | 109.3° | 107.6° |
| C23 | C21 | C20 | C22 | 145.3° | 144.7° |
| C23 | C21 | C20 | C8 | 154.6° | 161.4° |
| C23 | C21 | C7 | C22 | 140.6° | 145.6° |
| C23 | C21 | C7 | C6 | 161.3° | 160.3° |
| C23 | C21 | C7 | H5 | 2.6° | 5.2° |
| C23 | C21 | C20 | H12 | 1.0° | 4.2° |
| C23 | C21 | C22 | H13 | 180.0° | 154.6° |
| C23 | C21 | C22 | H14 | 60.0° | 34.6° |
| C23 | C21 | C22 | H15 | 60.0° | 85.4° |
| C21 | C23 | H35 | H36 | 120.0° | 120.0° |
| C21 | C23 | H35 | H37 | 120.0° | 119.9° |
| C21 | C23 | H36 | H37 | 120.0° | 120.0° |
| N2 | C10 | C15 | H7 | 117.6° | 120.0° |
| C10 | N2 | C9 | H47 | 180.0° | 180.0° |
| N2 | C10 | C15 | C16 | 73.4° | 65.0° |
| C10 | N2 | C9 | O3 | 0.2° | 0.0° |
| C10 | N2 | C9 | C8 | 176.4° | 180.0° |
| N2 | C10 | C15 | H8 | 46.7° | 55.0° |
| N2 | C10 | C15 | H9 | 166.5° | 175.0° |
| N2 | C10 | C11 | H25 | 111.5° | 175.0° |
| C15 | C10 | N2 | C9 | 119.0° | 155.0° |
| C10 | C15 | C16 | H8 | 120.1° | 120.0° |
| C10 | C15 | C16 | H9 | 120.1° | 120.0° |
| C10 | C15 | C16 | C17 | 60.8° | 175.0° |
| C10 | C15 | C16 | C19 | 179.9° | 70.2° |
| C10 | C15 | H8 | H9 | 119.6° | 120.0° |
| C15 | C10 | C11 | H25 | 14.6° | 55.0° |
| C10 | C15 | C16 | H32 | 59.9° | 52.5° |
| C15 | C10 | N2 | H47 | 61.0° | 25.1° |
| C21 | C20 | C7 | C8 | 111.4° | 114.4° |
| C21 | C20 | C7 | H12 | 108.6° | 107.5° |
| C21 | C20 | C8 | H12 | 155.7° | 157.6° |
| C20 | C21 | C7 | C22 | 114.6° | 107.2° |
| C21 | C20 | C8 | C9 | 178.2° | 157.0° |
| C21 | C20 | C7 | C6 | 115.9° | 114.2° |
| C21 | C20 | C8 | N1 | 62.5° | 38.2° |
| C21 | C20 | C7 | H5 | 108.1° | 108.8° |
| C21 | C20 | C8 | H6 | 56.1° | 80.5° |
| C20 | C21 | C22 | H13 | 33.9° | 60.0° |
| C20 | C21 | C22 | H14 | 153.9° | 180.0° |
| C20 | C21 | C22 | H15 | 86.1° | 60.0° |
| C20 | C21 | C23 | H35 | 180.0° | 60.0° |
| C20 | C21 | C23 | H36 | 60.0° | 179.9° |
| C20 | C21 | C23 | H37 | 60.0° | 59.9° |
| C7 | C20 | C8 | H12 | 140.0° | 140.1° |
| C7 | C20 | C8 | C9 | 117.5° | 94.6° |
| C20 | C7 | C6 | H5 | 136.0° | 139.1° |
| C7 | C20 | C8 | N1 | 1.8° | 24.2° |
| C20 | C7 | C6 | N1 | 8.8° | 23.8° |
| C20 | C7 | C6 | H3 | 110.4° | 142.7° |
| C20 | C7 | C6 | H4 | 128.0° | 94.9° |
| C7 | C20 | C8 | H6 | 120.4° | 142.9° |
| C20 | C8 | C9 | N2 | 106.7° | 83.4° |
| C8 | C20 | C21 | C22 | 9.3° | 16.7° |
| C20 | C8 | C9 | O3 | 77.0° | 96.6° |
| C20 | C8 | C9 | N1 | 115.9° | 115.1° |
| C20 | C8 | C9 | H6 | 122.1° | 122.5° |
| C8 | C20 | C7 | C6 | 4.5° | 0.2° |
| C20 | C8 | N1 | H6 | 118.1° | 118.7° |
| C20 | C8 | N1 | C6 | 8.0° | 39.9° |
| C20 | C8 | N1 | C5 | 173.0° | 140.4° |
| C8 | C20 | C7 | H5 | 140.5° | 136.8° |
| N2 | C9 | O3 | C8 | 176.0° | 180.0° |
| N2 | C9 | C8 | N1 | 137.4° | 161.5° |
| N2 | C9 | C8 | H6 | 15.4° | 39.1° |
| C9 | N2 | C10 | H7 | 2.0° | 35.0° |
| C21 | C7 | C6 | H5 | 158.7° | 155.6° |
| C21 | C7 | C6 | N1 | 56.5° | 41.5° |
| C21 | C7 | C6 | H3 | 175.6° | 77.3° |
| C21 | C7 | C6 | H4 | 62.7° | 160.2° |
| C7 | C21 | C22 | H13 | 37.4° | 8.3° |
| C7 | C21 | C22 | H14 | 82.6° | 111.7° |
| C7 | C21 | C22 | H15 | 157.4° | 128.3° |
| C7 | C21 | C23 | H35 | 111.3° | 128.3° |
| C7 | C21 | C23 | H36 | 8.7° | 111.7° |
| C7 | C21 | C23 | H37 | 128.7° | 8.3° |
| C22 | C21 | C7 | C6 | 20.7° | 14.7° |
| C22 | C21 | C7 | H5 | 138.0° | 140.4° |
| C22 | C21 | C20 | H12 | 146.3° | 140.5° |
| C21 | C22 | H13 | H14 | 120.0° | 120.0° |
| C21 | C22 | H13 | H15 | 120.0° | 120.0° |
| C21 | C22 | H14 | H15 | 120.0° | 120.0° |
| C22 | C21 | C23 | H35 | 31.1° | 85.4° |
| C22 | C21 | C23 | H36 | 151.0° | 34.6° |
| C22 | C21 | C23 | H37 | 88.9° | 154.7° |
| C15 | C16 | C17 | C19 | 125.2° | 118.6° |
| C15 | C16 | C17 | H32 | 120.6° | 122.5° |
| C15 | C16 | C19 | H32 | 119.8° | 122.6° |
| C15 | C16 | C17 | C18 | 149.5° | 93.9° |
| C15 | C16 | C19 | O2 | 42.9° | 77.6° |
| C15 | C16 | C19 | N3 | 138.2° | 102.6° |
| C16 | C15 | C10 | H7 | 44.2° | 55.0° |
| C16 | C15 | H8 | H9 | 119.7° | 120.0° |
| C15 | C16 | C17 | H10 | 30.3° | 24.2° |
| C15 | C16 | C17 | H11 | 91.4° | 148.0° |
| O3 | C9 | C8 | N1 | 38.9° | 18.5° |
| O3 | C9 | C8 | H6 | 160.9° | 140.9° |
| O3 | C9 | N2 | H47 | 179.8° | 180.0° |
| C9 | C8 | N1 | H6 | 121.5° | 122.3° |
| C9 | C8 | N1 | C6 | 112.5° | 79.1° |
| C9 | C8 | N1 | C5 | 66.6° | 100.7° |
| C9 | C8 | C20 | H12 | 22.5° | 45.4° |
| C8 | C9 | N2 | H47 | 3.6° | 0.0° |
| C7 | C6 | N1 | C8 | 10.7° | 39.8° |
| C7 | C6 | N1 | H3 | 119.2° | 118.8° |
| C7 | C6 | N1 | H4 | 119.2° | 118.8° |
| C7 | C6 | N1 | C5 | 170.4° | 140.4° |
| C7 | C6 | H3 | H4 | 122.4° | 122.5° |
| C6 | C7 | C20 | H12 | 135.6° | 138.3° |
| C8 | N1 | C6 | C5 | 178.9° | 179.8° |
| C8 | N1 | C5 | O4 | 4.0° | 4.1° |
| C8 | N1 | C5 | C4 | 176.6° | 175.9° |
| C8 | N1 | C6 | H3 | 108.5° | 158.7° |
| C8 | N1 | C6 | H4 | 129.9° | 79.0° |
| N1 | C8 | C20 | H12 | 141.8° | 164.2° |
| C17 | C16 | C19 | H32 | 114.1° | 118.7° |
| C16 | C17 | C18 | H10 | 119.2° | 118.0° |
| C16 | C17 | C18 | H11 | 119.2° | 118.3° |
| C17 | C16 | C19 | O2 | 169.0° | 163.8° |
| C17 | C16 | C19 | N3 | 12.1° | 16.0° |
| C16 | C17 | C18 | N3 | 27.4° | 25.6° |
| C17 | C16 | C15 | H8 | 179.1° | 65.0° |
| C17 | C16 | C15 | H9 | 59.3° | 55.0° |
| C16 | C17 | H10 | H11 | 122.4° | 124.0° |
| C16 | C17 | C18 | H33 | 146.2° | 144.6° |
| C16 | C17 | C18 | H34 | 91.5° | 93.5° |
| C19 | C16 | C17 | C18 | 24.2° | 24.8° |
| C16 | C19 | O2 | N3 | 178.8° | 179.8° |
| C16 | C19 | N3 | C18 | 6.0° | 0.8° |
| C16 | C19 | N3 | H1 | 174.0° | 179.6° |
| C19 | C16 | C15 | H8 | 59.8° | 49.8° |
| C19 | C16 | C15 | H9 | 60.0° | 169.8° |
| C19 | C16 | C17 | H10 | 94.9° | 142.8° |
| C19 | C16 | C17 | H11 | 143.4° | 93.4° |
| C17 | C18 | N3 | C19 | 21.5° | 17.3° |
| C17 | C18 | N3 | H33 | 118.9° | 119.0° |
| C17 | C18 | N3 | H34 | 118.9° | 119.0° |
| C17 | C18 | N3 | H1 | 158.5° | 163.0° |
| C18 | C17 | H10 | H11 | 122.4° | 123.7° |
| C18 | C17 | C16 | H32 | 90.0° | 143.6° |
| C17 | C18 | H33 | H34 | 123.2° | 121.9° |
| C6 | N1 | C5 | O4 | 177.1° | 176.2° |
| C6 | N1 | C5 | C4 | 2.3° | 3.8° |
| N1 | C6 | H3 | H4 | 122.4° | 122.3° |
| N1 | C6 | C7 | H5 | 144.8° | 162.9° |
| C6 | N1 | C8 | H6 | 126.0° | 158.6° |
| N1 | C5 | O4 | C4 | 179.4° | 179.9° |
| N1 | C5 | C4 | C2 | 109.8° | 86.9° |
| N1 | C5 | C4 | N4 | 127.2° | 153.1° |
| N1 | C5 | C4 | H2 | 9.3° | 33.2° |
| C5 | N1 | C6 | H3 | 70.4° | 21.6° |
| C5 | N1 | C6 | H4 | 51.2° | 100.7° |
| C5 | N1 | C8 | H6 | 55.0° | 21.6° |
| O2 | C19 | N3 | C18 | 172.9° | 179.4° |
| O2 | C19 | N3 | H1 | 7.1° | 0.2° |
| O2 | C19 | C16 | H32 | 76.9° | 45.0° |
| C19 | N3 | C18 | H1 | 180.0° | 179.6° |
| N3 | C19 | C16 | H32 | 102.0° | 134.8° |
| C19 | N3 | C18 | H33 | 140.4° | 136.3° |
| C19 | N3 | C18 | H34 | 97.4° | 101.7° |
| O4 | C5 | C4 | C2 | 70.8° | 93.1° |
| O4 | C5 | C4 | N4 | 52.2° | 26.9° |
| O4 | C5 | C4 | H2 | 170.1° | 146.9° |
| C5 | C4 | C2 | C1 | 54.0° | 58.3° |
| C5 | C4 | C2 | N4 | 122.1° | 120.0° |
| C5 | C4 | C2 | H2 | 119.2° | 120.0° |
| C5 | C4 | N4 | H2 | 117.2° | 120.0° |
| C5 | C4 | C2 | C3 | 66.8° | 178.4° |
| C5 | C4 | C2 | C29 | 173.9° | 61.6° |
| C5 | C4 | N4 | C24 | 124.0° | 155.0° |
| C5 | C4 | N4 | H48 | 56.1° | 25.1° |
| N3 | C18 | C17 | H10 | 91.8° | 143.6° |
| N3 | C18 | C17 | H11 | 146.6° | 92.7° |
| N3 | C18 | H33 | H34 | 123.2° | 122.1° |
| C1 | C2 | C4 | C3 | 120.8° | 120.0° |
| C1 | C2 | C4 | C29 | 119.9° | 120.0° |
| C1 | C2 | C4 | N4 | 176.1° | 61.7° |
| C1 | C2 | C3 | C29 | 118.1° | 120.0° |
| C1 | C2 | C4 | H2 | 65.2° | 178.4° |
| C2 | C1 | H22 | H23 | 120.0° | 120.0° |
| C2 | C1 | H22 | H24 | 120.0° | 120.0° |
| C2 | C1 | H23 | H24 | 120.0° | 120.0° |
| C1 | C2 | C29 | H41 | 180.0° | 177.8° |
| C1 | C2 | C29 | H42 | 60.0° | 57.8° |
| C1 | C2 | C29 | H43 | 60.0° | 62.1° |
| C1 | C2 | C3 | H44 | 180.0° | 60.1° |
| C1 | C2 | C3 | H45 | 60.0° | 59.9° |
| C1 | C2 | C3 | H46 | 60.0° | 180.0° |
| C2 | C4 | N4 | H2 | 118.0° | 120.0° |
| C4 | C2 | C3 | C29 | 120.3° | 120.0° |
| C2 | C4 | N4 | C24 | 111.3° | 85.0° |
| C4 | C2 | C1 | H22 | 180.0° | 60.0° |
| C4 | C2 | C1 | H23 | 60.0° | 180.0° |
| C4 | C2 | C1 | H24 | 60.0° | 60.0° |
| C4 | C2 | C29 | H41 | 59.2° | 62.2° |
| C4 | C2 | C29 | H42 | 179.2° | 177.8° |
| C4 | C2 | C29 | H43 | 60.8° | 57.9° |
| C4 | C2 | C3 | H44 | 58.4° | 60.0° |
| C4 | C2 | C3 | H45 | 61.6° | 180.0° |
| C4 | C2 | C3 | H46 | 178.4° | 60.0° |
| C2 | C4 | N4 | H48 | 68.7° | 95.0° |
| N4 | C4 | C2 | C3 | 55.3° | 58.4° |
| N4 | C4 | C2 | C29 | 64.0° | 178.4° |
| C4 | N4 | C24 | H48 | 180.0° | 179.9° |
| C4 | N4 | C24 | O5 | 0.2° | 0.0° |
| C4 | N4 | C24 | N5 | 177.7° | 180.0° |
| C3 | C2 | C4 | H2 | 174.0° | 61.6° |
| C3 | C2 | C1 | H22 | 58.0° | 180.0° |
| C3 | C2 | C1 | H23 | 62.0° | 60.0° |
| C3 | C2 | C1 | H24 | 178.0° | 60.0° |
| C3 | C2 | C29 | H41 | 61.8° | 57.8° |
| C3 | C2 | C29 | H42 | 58.2° | 62.1° |
| C3 | C2 | C29 | H43 | 178.1° | 177.9° |
| C2 | C3 | H44 | H45 | 120.0° | 120.0° |
| C2 | C3 | H44 | H46 | 120.0° | 119.9° |
| C2 | C3 | H45 | H46 | 120.0° | 120.0° |
| C29 | C2 | C4 | H2 | 54.7° | 58.4° |
| C29 | C2 | C1 | H22 | 59.5° | 60.0° |
| C29 | C2 | C1 | H23 | 179.5° | 60.0° |
| C29 | C2 | C1 | H24 | 60.5° | 180.0° |
| C2 | C29 | H41 | H42 | 120.0° | 120.0° |
| C2 | C29 | H41 | H43 | 120.0° | 120.0° |
| C2 | C29 | H42 | H43 | 120.0° | 120.0° |
| C29 | C2 | C3 | H44 | 61.9° | 180.0° |
| C29 | C2 | C3 | H45 | 178.1° | 60.0° |
| C29 | C2 | C3 | H46 | 58.1° | 60.0° |
| N4 | C24 | O5 | N5 | 177.7° | 180.0° |
| N4 | C24 | N5 | C25 | 167.6° | 180.0° |
| C24 | N4 | C4 | H2 | 6.7° | 35.0° |
| N4 | C24 | N5 | H49 | 12.4° | 0.1° |
| O5 | C24 | N5 | C25 | 14.6° | 0.1° |
| O5 | C24 | N4 | H48 | 179.8° | 179.9° |
| O5 | C24 | N5 | H49 | 165.4° | 180.0° |
| C24 | N5 | C25 | C27 | 58.3° | 180.0° |
| C24 | N5 | C25 | H49 | 180.0° | 179.9° |
| C24 | N5 | C25 | C26 | 62.3° | 60.0° |
| C24 | N5 | C25 | C28 | 177.5° | 60.1° |
| N5 | C24 | N4 | H48 | 2.3° | 0.0° |
| C27 | C25 | N5 | C26 | 120.7° | 120.0° |
| C27 | C25 | N5 | C28 | 119.2° | 119.9° |
| C27 | C25 | C26 | C28 | 121.3° | 120.0° |
| C27 | C25 | C26 | H16 | 180.0° | 180.0° |
| C27 | C25 | C26 | H17 | 60.0° | 60.0° |
| C27 | C25 | C26 | H18 | 60.0° | 60.0° |
| C27 | C25 | C28 | H19 | 180.0° | 60.0° |
| C27 | C25 | C28 | H20 | 60.0° | 60.0° |
| C27 | C25 | C28 | H21 | 60.0° | 180.0° |
| C25 | C27 | H38 | H39 | 120.0° | 120.0° |
| C25 | C27 | H38 | H40 | 120.0° | 120.0° |
| C25 | C27 | H39 | H40 | 120.0° | 120.0° |
| C27 | C25 | N5 | H49 | 121.7° | 0.1° |
| N5 | C25 | C26 | C28 | 119.5° | 120.1° |
| N5 | C25 | C26 | H16 | 60.8° | 60.0° |
| N5 | C25 | C26 | H17 | 59.2° | 59.9° |
| N5 | C25 | C26 | H18 | 179.3° | 180.0° |
| N5 | C25 | C28 | H19 | 61.8° | 179.9° |
| N5 | C25 | C28 | H20 | 178.2° | 60.0° |
| N5 | C25 | C28 | H21 | 58.1° | 60.1° |
| N5 | C25 | C27 | H38 | 180.0° | 60.0° |
| N5 | C25 | C27 | H39 | 60.0° | 60.0° |
| N5 | C25 | C27 | H40 | 60.0° | 180.0° |
| C25 | C26 | H16 | H17 | 120.0° | 120.0° |
| C25 | C26 | H16 | H18 | 120.0° | 119.9° |
| C25 | C26 | H17 | H18 | 120.0° | 120.0° |
| C26 | C25 | C28 | H19 | 58.3° | 60.0° |
| C26 | C25 | C28 | H20 | 61.7° | 180.0° |
| C26 | C25 | C28 | H21 | 178.3° | 60.0° |
| C26 | C25 | C27 | H38 | 59.7° | 60.0° |
| C26 | C25 | C27 | H39 | 60.3° | 180.0° |
| C26 | C25 | C27 | H40 | 179.7° | 60.0° |
| C26 | C25 | N5 | H49 | 117.7° | 119.9° |
| C28 | C25 | C26 | H16 | 58.7° | 60.0° |
| C28 | C25 | C26 | H17 | 178.7° | 180.0° |
| C28 | C25 | C26 | H18 | 61.3° | 60.0° |
| C25 | C28 | H19 | H20 | 120.0° | 120.0° |
| C25 | C28 | H19 | H21 | 120.0° | 119.9° |
| C25 | C28 | H20 | H21 | 120.0° | 120.0° |
| C28 | C25 | C27 | H38 | 61.5° | 180.0° |
| C28 | C25 | C27 | H39 | 178.5° | 60.0° |
| C28 | C25 | C27 | H40 | 58.5° | 60.1° |
| C28 | C25 | N5 | H49 | 2.4° | 120.0° |
| H1 | N3 | C18 | H33 | 39.6° | 44.0° |
| H1 | N3 | C18 | H34 | 82.6° | 78.0° |
| H2 | C4 | N4 | H48 | 173.3° | 145.1° |
| H3 | C6 | C7 | H5 | 25.6° | 78.3° |
| H4 | C6 | C7 | H5 | 96.0° | 44.2° |
| H5 | C7 | C20 | H12 | 0.5° | 1.3° |
| H6 | C8 | C20 | H12 | 99.6° | 77.1° |
| H7 | C10 | C15 | H8 | 164.3° | 175.0° |
| H7 | C10 | C15 | H9 | 76.0° | 65.0° |
| H7 | C10 | C11 | H25 | 131.5° | 65.0° |
| H7 | C10 | N2 | H47 | 178.0° | 145.1° |
| H8 | C15 | C16 | H32 | 60.2° | 172.5° |
| H9 | C15 | C16 | H32 | 180.0° | 67.5° |
| H10 | C17 | C16 | H32 | 150.9° | 98.3° |
| H10 | C17 | C18 | H33 | 27.1° | 97.4° |
| H10 | C17 | C18 | H34 | 149.3° | 24.5° |
| H11 | C17 | C16 | H32 | 29.2° | 25.5° |
| H11 | C17 | C18 | H33 | 94.6° | 26.3° |
| H11 | C17 | C18 | H34 | 27.7° | 148.2° |
| H13 | C22 | H14 | H15 | 120.0° | 120.1° |
| H16 | C26 | H17 | H18 | 120.0° | 120.0° |
| H19 | C28 | H20 | H21 | 120.0° | 120.1° |
| H22 | C1 | H23 | H24 | 120.0° | 120.0° |
| H25 | C11 | C12 | H27 | 135.9° | 180.0° |
| H29 | C14 | H30 | H31 | 120.0° | 120.0° |
| H35 | C23 | H36 | H37 | 119.9° | 120.0° |
| H38 | C27 | H39 | H40 | 120.0° | 120.0° |
| H41 | C29 | H42 | H43 | 120.0° | 120.1° |
| H44 | C3 | H45 | H46 | 120.0° | 120.1° |
