A1C2Q
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| C2 | C1 | sing | 1.53Å | 1.51Å | |
| C1 | C3 | sing | 1.53Å | 1.51Å | |
| C1 | O2 | sing | 1.43Å | 1.43Å | |
| C27 | O8 | sing | 1.45Å | 1.42Å | |
| C27 | C11 | sing | 1.53Å | 1.53Å | |
| O8 | P1 | sing | 1.64Å | 1.60Å | |
| O4 | C23 | doub | 1.21Å | 1.24Å | |
| O2 | P1 | sing | 1.61Å | 1.58Å | |
| P1 | O1 | doub | 1.48Å | 1.46Å | |
| P1 | N1 | sing | 1.71Å | 1.66Å | |
| C11 | C12 | sing | 1.53Å | 1.51Å | |
| C11 | N1 | sing | 1.48Å | 1.48Å | |
| C23 | N4 | sing | 1.34Å | 1.33Å | |
| C23 | C22 | sing | 1.51Å | 1.52Å | |
| N4 | C24 | sing | 1.47Å | 1.46Å | |
| C12 | O3 | sing | 1.45Å | 1.44Å | |
| O7 | C13 | doub | 1.22Å | 1.22Å | |
| N1 | C4 | sing | 1.47Å | 1.47Å | |
| O3 | C13 | sing | 1.35Å | 1.35Å | |
| C22 | C21 | sing | 1.53Å | 1.53Å | |
| C22 | C25 | sing | 1.55Å | 1.53Å | |
| C13 | N2 | sing | 1.35Å | 1.34Å | |
| C24 | C25 | sing | 1.55Å | 1.52Å | |
| C6 | C7 | doub | 1.38Å | 1.39Å | Aromatic |
| C6 | C5 | sing | 1.38Å | 1.39Å | Aromatic |
| C18 | C16 | sing | 1.53Å | 1.51Å | |
| C7 | C8 | sing | 1.38Å | 1.38Å | Aromatic |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| N2 | C14 | sing | 1.47Å | 1.45Å | |
| C4 | C5 | sing | 1.51Å | 1.51Å | |
| C14 | C19 | sing | 1.51Å | 1.53Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| N3 | C20 | sing | 1.46Å | 1.47Å | |
| N3 | C19 | sing | 1.35Å | 1.34Å | |
| C5 | C10 | doub | 1.38Å | 1.39Å | Aromatic |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C16 | C17 | sing | 1.53Å | 1.53Å | |
| C8 | C9 | doub | 1.38Å | 1.38Å | Aromatic |
| C20 | C26 | sing | 1.53Å | 1.51Å | |
| C19 | O6 | doub | 1.21Å | 1.24Å | |
| C26 | O5 | sing | 1.43Å | 1.42Å | |
| C10 | C9 | sing | 1.38Å | 1.39Å | Aromatic |
| N2 | H1 | sing | 0.97Å | 1.00Å | |
| C2 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C2 | H4 | sing | 1.09Å | 1.10Å | |
| N3 | H5 | sing | 0.97Å | 1.00Å | |
| C4 | H6 | sing | 1.09Å | 1.10Å | |
| C4 | H7 | sing | 1.09Å | 1.10Å | |
| C8 | H8 | sing | 1.08Å | 1.08Å | |
| C17 | H9 | sing | 1.09Å | 1.10Å | |
| C17 | H10 | sing | 1.09Å | 1.10Å | |
| C17 | H11 | sing | 1.09Å | 1.10Å | |
| C18 | H12 | sing | 1.09Å | 1.10Å | |
| C18 | H13 | sing | 1.09Å | 1.10Å | |
| C18 | H14 | sing | 1.09Å | 1.10Å | |
| C6 | H15 | sing | 1.08Å | 1.08Å | |
| C10 | H16 | sing | 1.08Å | 1.08Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C12 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| C15 | H21 | sing | 1.09Å | 1.10Å | |
| C15 | H22 | sing | 1.09Å | 1.10Å | |
| C16 | H23 | sing | 1.09Å | 1.10Å | |
| C1 | H24 | sing | 1.09Å | 1.10Å | |
| C20 | H25 | sing | 1.09Å | 1.10Å | |
| C21 | H26 | sing | 1.09Å | 1.10Å | |
| C21 | H27 | sing | 1.09Å | 1.10Å | |
| C22 | H28 | sing | 1.09Å | 1.10Å | |
| C24 | H29 | sing | 1.09Å | 1.10Å | |
| C24 | H30 | sing | 1.09Å | 1.10Å | |
| C25 | H31 | sing | 1.09Å | 1.10Å | |
| C25 | H32 | sing | 1.09Å | 1.10Å | |
| C26 | H33 | sing | 1.09Å | 1.10Å | |
| C26 | H34 | sing | 1.09Å | 1.10Å | |
| C27 | H35 | sing | 1.09Å | 1.10Å | |
| C27 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C3 | H39 | sing | 1.09Å | 1.10Å | |
| C7 | H40 | sing | 1.08Å | 1.08Å | |
| C9 | H41 | sing | 1.08Å | 1.08Å | |
| N4 | H42 | sing | 0.97Å | 1.00Å | |
| O5 | H43 | sing | 0.97Å | 0.95Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| C2 | C1 | C3 | 112.4° | 109.5° |
| C2 | C1 | O2 | 108.4° | 109.4° |
| C1 | C2 | H2 | 109.5° | 109.5° |
| C1 | C2 | H3 | 109.5° | 109.5° |
| C1 | C2 | H4 | 109.5° | 109.5° |
| C2 | C1 | H24 | 109.5° | 109.5° |
| C3 | C1 | O2 | 106.4° | 109.5° |
| C3 | C1 | H24 | 109.5° | 109.5° |
| C1 | C3 | H37 | 109.5° | 109.5° |
| C1 | C3 | H38 | 109.4° | 109.5° |
| C1 | C3 | H39 | 109.5° | 109.4° |
| C1 | O2 | P1 | 123.1° | 123.0° |
| O2 | C1 | H24 | 110.5° | 109.5° |
| O8 | C27 | C11 | 104.3° | 108.9° |
| C27 | O8 | P1 | 107.8° | 101.7° |
| O8 | C27 | H35 | 110.8° | 109.6° |
| O8 | C27 | H36 | 110.7° | 109.6° |
| C27 | C11 | C12 | 112.2° | 109.5° |
| C27 | C11 | N1 | 101.6° | 109.4° |
| C27 | C11 | H17 | 108.9° | 109.4° |
| C11 | C27 | H35 | 110.7° | 109.6° |
| C11 | C27 | H36 | 110.7° | 109.7° |
| O8 | P1 | O2 | 106.5° | 111.0° |
| O8 | P1 | O1 | 113.1° | 111.0° |
| O8 | P1 | N1 | 94.8° | 101.5° |
| O4 | C23 | N4 | 126.5° | 124.9° |
| O4 | C23 | C22 | 125.3° | 125.0° |
| O2 | P1 | O1 | 112.4° | 110.9° |
| O2 | P1 | N1 | 107.8° | 111.0° |
| O1 | P1 | N1 | 120.2° | 111.1° |
| P1 | N1 | C11 | 111.0° | 103.2° |
| P1 | N1 | C4 | 120.6° | 111.0° |
| C12 | C11 | N1 | 115.3° | 109.5° |
| C11 | C12 | O3 | 107.0° | 109.5° |
| C12 | C11 | H17 | 109.1° | 109.6° |
| C11 | C12 | H18 | 110.1° | 109.5° |
| C11 | C12 | H19 | 110.1° | 109.4° |
| C11 | N1 | C4 | 117.6° | 111.0° |
| N1 | C11 | H17 | 109.5° | 109.5° |
| N4 | C23 | C22 | 108.1° | 110.1° |
| C23 | N4 | C24 | 113.4° | 111.3° |
| C23 | N4 | H42 | 123.3° | 124.4° |
| C23 | C22 | C21 | 112.7° | 110.5° |
| C23 | C22 | C25 | 103.4° | 104.2° |
| C23 | C22 | H28 | 108.6° | 110.5° |
| N4 | C24 | C25 | 102.7° | 105.5° |
| N4 | C24 | H29 | 111.2° | 110.3° |
| N4 | C24 | H30 | 111.2° | 110.3° |
| C24 | N4 | H42 | 123.3° | 124.3° |
| C12 | O3 | C13 | 117.2° | 117.0° |
| O3 | C12 | H18 | 110.1° | 109.5° |
| O3 | C12 | H19 | 110.1° | 109.5° |
| O7 | C13 | O3 | 124.9° | 120.0° |
| O7 | C13 | N2 | 124.9° | 120.0° |
| N1 | C4 | C5 | 115.0° | 109.5° |
| N1 | C4 | H6 | 108.1° | 109.5° |
| N1 | C4 | H7 | 108.1° | 109.5° |
| O3 | C13 | N2 | 110.2° | 120.0° |
| C21 | C22 | C25 | 115.0° | 110.5° |
| C22 | C21 | C20 | 113.5° | 109.4° |
| C22 | C21 | H26 | 108.5° | 109.5° |
| C22 | C21 | H27 | 108.5° | 109.4° |
| C21 | C22 | H28 | 108.5° | 110.4° |
| C22 | C25 | C24 | 103.2° | 101.8° |
| C25 | C22 | H28 | 108.5° | 110.5° |
| C22 | C25 | H31 | 111.0° | 111.0° |
| C22 | C25 | H32 | 111.0° | 111.0° |
| C13 | N2 | C14 | 121.5° | 120.0° |
| C13 | N2 | H1 | 119.3° | 120.0° |
| C25 | C24 | H29 | 111.1° | 110.2° |
| C25 | C24 | H30 | 111.1° | 110.2° |
| C24 | C25 | H31 | 111.0° | 111.0° |
| C24 | C25 | H32 | 111.0° | 111.0° |
| C7 | C6 | C5 | 120.4° | 120.0° |
| C6 | C7 | C8 | 120.3° | 120.0° |
| C7 | C6 | H15 | 119.8° | 120.0° |
| C6 | C7 | H40 | 119.8° | 120.0° |
| C6 | C5 | C4 | 120.3° | 120.0° |
| C6 | C5 | C10 | 118.9° | 120.0° |
| C5 | C6 | H15 | 119.8° | 120.0° |
| C18 | C16 | C15 | 112.2° | 109.4° |
| C18 | C16 | C17 | 110.1° | 109.4° |
| C16 | C18 | H12 | 109.5° | 109.5° |
| C16 | C18 | H13 | 109.5° | 109.5° |
| C16 | C18 | H14 | 109.5° | 109.5° |
| C18 | C16 | H23 | 108.6° | 109.5° |
| C7 | C8 | C9 | 119.8° | 120.0° |
| C7 | C8 | H8 | 120.1° | 120.0° |
| C8 | C7 | H40 | 119.9° | 120.0° |
| C21 | C20 | N3 | 110.8° | 109.5° |
| C21 | C20 | C26 | 112.1° | 109.4° |
| C21 | C20 | H25 | 107.7° | 109.5° |
| C20 | C21 | H26 | 108.5° | 109.5° |
| C20 | C21 | H27 | 108.5° | 109.5° |
| N2 | C14 | C19 | 111.2° | 109.5° |
| N2 | C14 | C15 | 109.7° | 109.5° |
| C14 | N2 | H1 | 119.3° | 120.0° |
| N2 | C14 | H20 | 109.4° | 109.5° |
| C4 | C5 | C10 | 120.8° | 120.0° |
| C5 | C4 | H6 | 108.1° | 109.4° |
| C5 | C4 | H7 | 108.1° | 109.5° |
| C19 | C14 | C15 | 109.8° | 109.5° |
| C14 | C19 | N3 | 116.8° | 120.0° |
| C14 | C19 | O6 | 120.3° | 119.9° |
| C19 | C14 | H20 | 108.3° | 109.4° |
| C14 | C15 | C16 | 115.8° | 109.5° |
| C15 | C14 | H20 | 108.4° | 109.5° |
| C14 | C15 | H21 | 107.9° | 109.4° |
| C14 | C15 | H22 | 107.9° | 109.4° |
| C20 | N3 | C19 | 121.3° | 120.0° |
| N3 | C20 | C26 | 109.8° | 109.5° |
| C20 | N3 | H5 | 119.3° | 120.0° |
| N3 | C20 | H25 | 108.5° | 109.5° |
| N3 | C19 | O6 | 122.9° | 120.0° |
| C19 | N3 | H5 | 119.4° | 120.0° |
| C5 | C10 | C9 | 120.4° | 120.0° |
| C5 | C10 | H16 | 119.8° | 120.0° |
| C15 | C16 | C17 | 109.2° | 109.5° |
| C16 | C15 | H21 | 107.8° | 109.5° |
| C16 | C15 | H22 | 107.8° | 109.5° |
| C15 | C16 | H23 | 108.3° | 109.5° |
| C16 | C17 | H9 | 109.5° | 109.5° |
| C16 | C17 | H10 | 109.5° | 109.5° |
| C16 | C17 | H11 | 109.5° | 109.5° |
| C17 | C16 | H23 | 108.3° | 109.5° |
| C8 | C9 | C10 | 120.3° | 120.0° |
| C9 | C8 | H8 | 120.1° | 120.0° |
| C8 | C9 | H41 | 119.9° | 120.0° |
| C20 | C26 | O5 | 111.9° | 109.4° |
| C26 | C20 | H25 | 107.9° | 109.4° |
| C20 | C26 | H33 | 108.9° | 109.4° |
| C20 | C26 | H34 | 108.9° | 109.5° |
| O5 | C26 | H33 | 108.9° | 109.4° |
| O5 | C26 | H34 | 108.9° | 109.5° |
| C26 | O5 | H43 | 109.5° | 114.0° |
| C9 | C10 | H16 | 119.8° | 120.0° |
| C10 | C9 | H41 | 119.8° | 120.0° |
| H2 | C2 | H3 | 109.5° | 109.5° |
| H2 | C2 | H4 | 109.5° | 109.5° |
| H3 | C2 | H4 | 109.5° | 109.4° |
| H6 | C4 | H7 | 109.5° | 109.4° |
| H9 | C17 | H10 | 109.5° | 109.4° |
| H9 | C17 | H11 | 109.5° | 109.5° |
| H10 | C17 | H11 | 109.5° | 109.4° |
| H12 | C18 | H13 | 109.5° | 109.4° |
| H12 | C18 | H14 | 109.5° | 109.5° |
| H13 | C18 | H14 | 109.5° | 109.4° |
| H18 | C12 | H19 | 109.5° | 109.4° |
| H21 | C15 | H22 | 109.5° | 109.5° |
| H26 | C21 | H27 | 109.4° | 109.5° |
| H29 | C24 | H30 | 109.5° | 110.2° |
| H31 | C25 | H32 | 109.5° | 110.9° |
| H33 | C26 | H34 | 109.5° | 109.5° |
| H35 | C27 | H36 | 109.5° | 109.5° |
| H37 | C3 | H38 | 109.5° | 109.5° |
| H37 | C3 | H39 | 109.5° | 109.5° |
| H38 | C3 | H39 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| C2 | C1 | C3 | O2 | 118.5° | 120.0° |
| C2 | C1 | C3 | H24 | 122.0° | 120.0° |
| C2 | C1 | O2 | H24 | 120.0° | 120.0° |
| C2 | C1 | O2 | P1 | 121.6° | 120.1° |
| C1 | C2 | H2 | H3 | 120.0° | 120.0° |
| C1 | C2 | H2 | H4 | 120.0° | 120.0° |
| C1 | C2 | H3 | H4 | 120.0° | 120.0° |
| C2 | C1 | C3 | H37 | 180.0° | 60.0° |
| C2 | C1 | C3 | H38 | 60.0° | 180.0° |
| C2 | C1 | C3 | H39 | 60.0° | 60.0° |
| C3 | C1 | O2 | H24 | 118.8° | 120.0° |
| C3 | C1 | O2 | P1 | 117.3° | 120.0° |
| C3 | C1 | C2 | H2 | 180.0° | 60.0° |
| C3 | C1 | C2 | H3 | 60.0° | 60.0° |
| C3 | C1 | C2 | H4 | 60.0° | 180.0° |
| C1 | C3 | H37 | H38 | 120.0° | 120.0° |
| C1 | C3 | H37 | H39 | 120.0° | 120.0° |
| C1 | C3 | H38 | H39 | 120.0° | 120.0° |
| C1 | O2 | P1 | O8 | 7.6° | 165.0° |
| C1 | O2 | P1 | O1 | 116.8° | 41.1° |
| C1 | O2 | P1 | N1 | 108.4° | 82.9° |
| O2 | C1 | C2 | H2 | 62.7° | 60.0° |
| O2 | C1 | C2 | H3 | 177.3° | 180.0° |
| O2 | C1 | C2 | H4 | 57.3° | 60.0° |
| O2 | C1 | C3 | H37 | 61.5° | 60.0° |
| O2 | C1 | C3 | H38 | 58.5° | 60.0° |
| O2 | C1 | C3 | H39 | 178.5° | 180.0° |
| O8 | C27 | C11 | H35 | 119.2° | 119.9° |
| O8 | C27 | C11 | H36 | 119.1° | 120.0° |
| C27 | O8 | P1 | O2 | 79.1° | 83.2° |
| C27 | O8 | P1 | O1 | 156.9° | 153.0° |
| C27 | O8 | P1 | N1 | 31.1° | 34.9° |
| O8 | C27 | C11 | C12 | 164.9° | 148.6° |
| O8 | C27 | C11 | N1 | 41.2° | 28.7° |
| O8 | C27 | C11 | H17 | 74.3° | 91.3° |
| O8 | C27 | H35 | H36 | 122.4° | 120.3° |
| C11 | C27 | O8 | P1 | 47.3° | 39.5° |
| C27 | C11 | N1 | P1 | 20.6° | 3.6° |
| C27 | C11 | C12 | N1 | 115.6° | 119.9° |
| C27 | C11 | C12 | H17 | 120.7° | 120.0° |
| C27 | C11 | N1 | H17 | 115.0° | 119.9° |
| C27 | C11 | C12 | O3 | 147.3° | 54.9° |
| C27 | C11 | N1 | C4 | 165.2° | 122.6° |
| C27 | C11 | C12 | H18 | 93.1° | 65.1° |
| C27 | C11 | C12 | H19 | 27.6° | 175.0° |
| C11 | C27 | H35 | H36 | 122.4° | 120.3° |
| O8 | P1 | O2 | O1 | 124.4° | 123.9° |
| O8 | P1 | O2 | N1 | 100.8° | 112.1° |
| O8 | P1 | O1 | N1 | 110.7° | 112.1° |
| O8 | P1 | N1 | C11 | 4.5° | 18.6° |
| O8 | P1 | N1 | C4 | 138.9° | 100.4° |
| P1 | O8 | C27 | H35 | 71.9° | 159.4° |
| P1 | O8 | C27 | H36 | 166.5° | 80.4° |
| O4 | C23 | N4 | C22 | 177.5° | 180.0° |
| O4 | C23 | N4 | C24 | 171.3° | 179.6° |
| O4 | C23 | C22 | C21 | 44.1° | 45.0° |
| O4 | C23 | C22 | C25 | 168.9° | 163.7° |
| O4 | C23 | C22 | H28 | 76.1° | 77.5° |
| O4 | C23 | N4 | H42 | 8.6° | 0.5° |
| O2 | P1 | O1 | N1 | 128.6° | 124.0° |
| O2 | P1 | N1 | C11 | 104.6° | 99.4° |
| O2 | P1 | N1 | C4 | 112.0° | 141.6° |
| P1 | O2 | C1 | H24 | 1.5° | 0.0° |
| O1 | P1 | N1 | C11 | 124.8° | 136.7° |
| O1 | P1 | N1 | C4 | 18.6° | 17.7° |
| P1 | N1 | C11 | C12 | 142.2° | 123.6° |
| P1 | N1 | C11 | C4 | 144.6° | 119.0° |
| P1 | N1 | C4 | C5 | 49.7° | 147.6° |
| P1 | N1 | C4 | H6 | 71.1° | 92.5° |
| P1 | N1 | C4 | H7 | 170.5° | 27.5° |
| P1 | N1 | C11 | H17 | 94.3° | 116.3° |
| C12 | C11 | N1 | H17 | 123.4° | 120.1° |
| C11 | C12 | O3 | H18 | 119.6° | 120.0° |
| C11 | C12 | O3 | H19 | 119.6° | 120.0° |
| C12 | C11 | N1 | C4 | 73.2° | 117.4° |
| C11 | C12 | O3 | C13 | 158.1° | 180.0° |
| C11 | C12 | H18 | H19 | 121.1° | 119.9° |
| C12 | C11 | C27 | H35 | 45.7° | 91.5° |
| C12 | C11 | C27 | H36 | 75.9° | 28.7° |
| N1 | C11 | C12 | O3 | 97.1° | 65.0° |
| C11 | N1 | C4 | C5 | 91.4° | 98.2° |
| C11 | N1 | C4 | H6 | 147.8° | 21.8° |
| C11 | N1 | C4 | H7 | 29.4° | 141.7° |
| N1 | C11 | C12 | H18 | 22.5° | 175.0° |
| N1 | C11 | C12 | H19 | 143.3° | 55.0° |
| N1 | C11 | C27 | H35 | 78.0° | 148.5° |
| N1 | C11 | C27 | H36 | 160.4° | 91.3° |
| C23 | N4 | C24 | H42 | 180.0° | 179.9° |
| N4 | C23 | C22 | C21 | 138.3° | 135.0° |
| N4 | C23 | C22 | C25 | 13.6° | 16.3° |
| C23 | N4 | C24 | C25 | 23.4° | 17.0° |
| N4 | C23 | C22 | H28 | 101.5° | 102.5° |
| C23 | N4 | C24 | H29 | 95.5° | 136.0° |
| C23 | N4 | C24 | H30 | 142.3° | 102.0° |
| C22 | C23 | N4 | C24 | 6.2° | 0.4° |
| C23 | C22 | C21 | C25 | 118.1° | 114.8° |
| C23 | C22 | C21 | H28 | 120.3° | 122.6° |
| C23 | C22 | C25 | H28 | 115.2° | 118.8° |
| C23 | C22 | C25 | C24 | 26.7° | 24.8° |
| C23 | C22 | C21 | C20 | 177.0° | 180.0° |
| C23 | C22 | C21 | H26 | 62.4° | 59.9° |
| C23 | C22 | C21 | H27 | 56.4° | 60.0° |
| C23 | C22 | C25 | H31 | 92.3° | 93.3° |
| C23 | C22 | C25 | H32 | 145.7° | 142.9° |
| C22 | C23 | N4 | H42 | 173.8° | 179.5° |
| N4 | C24 | C25 | C22 | 29.9° | 25.4° |
| N4 | C24 | C25 | H29 | 118.9° | 119.1° |
| N4 | C24 | C25 | H30 | 118.9° | 119.1° |
| N4 | C24 | H29 | H30 | 123.2° | 122.1° |
| N4 | C24 | C25 | H31 | 89.1° | 92.7° |
| N4 | C24 | C25 | H32 | 148.8° | 143.5° |
| C12 | O3 | C13 | O7 | 2.0° | 0.1° |
| C12 | O3 | C13 | N2 | 179.9° | 180.0° |
| O3 | C12 | C11 | H17 | 26.6° | 175.0° |
| O3 | C12 | H18 | H19 | 121.1° | 120.0° |
| O7 | C13 | O3 | N2 | 178.2° | 179.9° |
| O7 | C13 | N2 | C14 | 6.3° | 5.2° |
| O7 | C13 | N2 | H1 | 173.7° | 175.1° |
| N1 | C4 | C5 | C6 | 31.4° | 84.2° |
| N1 | C4 | C5 | H6 | 120.8° | 120.0° |
| N1 | C4 | C5 | H7 | 120.8° | 120.0° |
| N1 | C4 | C5 | C10 | 148.0° | 95.2° |
| N1 | C4 | H6 | H7 | 117.5° | 120.0° |
| C4 | N1 | C11 | H17 | 50.3° | 2.7° |
| O3 | C13 | N2 | C14 | 175.5° | 174.8° |
| O3 | C13 | N2 | H1 | 4.5° | 4.8° |
| C13 | O3 | C12 | H18 | 82.3° | 60.0° |
| C13 | O3 | C12 | H19 | 38.5° | 60.0° |
| C21 | C22 | C25 | H28 | 121.6° | 122.5° |
| C21 | C22 | C25 | C24 | 149.9° | 143.5° |
| C22 | C21 | C20 | H26 | 120.6° | 120.0° |
| C22 | C21 | C20 | H27 | 120.6° | 119.9° |
| C22 | C21 | C20 | N3 | 66.7° | 64.9° |
| C22 | C21 | C20 | C26 | 170.4° | 175.1° |
| C22 | C21 | C20 | H25 | 51.8° | 55.1° |
| C22 | C21 | H26 | H27 | 118.2° | 119.9° |
| C21 | C22 | C25 | H31 | 30.9° | 25.4° |
| C21 | C22 | C25 | H32 | 91.1° | 98.4° |
| C22 | C25 | C24 | H31 | 119.0° | 118.1° |
| C22 | C25 | C24 | H32 | 119.0° | 118.1° |
| C25 | C22 | C21 | C20 | 64.9° | 65.2° |
| C25 | C22 | C21 | H26 | 55.7° | 174.8° |
| C25 | C22 | C21 | H27 | 174.5° | 54.8° |
| C22 | C25 | C24 | H29 | 89.1° | 144.5° |
| C22 | C25 | C24 | H30 | 148.8° | 93.7° |
| C22 | C25 | H31 | H32 | 122.9° | 123.8° |
| C13 | N2 | C14 | H1 | 180.0° | 179.7° |
| C13 | N2 | C14 | C19 | 58.6° | 157.7° |
| C13 | N2 | C14 | C15 | 179.8° | 82.3° |
| C13 | N2 | C14 | H20 | 61.1° | 37.7° |
| C24 | C25 | C22 | H28 | 88.5° | 94.0° |
| C25 | C24 | H29 | H30 | 123.1° | 121.9° |
| C24 | C25 | H31 | H32 | 122.9° | 123.8° |
| C25 | C24 | N4 | H42 | 156.6° | 162.9° |
| C7 | C6 | C5 | H15 | 180.0° | 180.0° |
| C6 | C7 | C8 | H40 | 180.0° | 180.0° |
| C7 | C6 | C5 | C4 | 179.7° | 179.7° |
| C7 | C6 | C5 | C10 | 0.2° | 0.3° |
| C6 | C7 | C8 | C9 | 0.0° | 0.0° |
| C6 | C7 | C8 | H8 | 180.0° | 179.7° |
| C5 | C6 | C7 | C8 | 0.1° | 0.0° |
| C6 | C5 | C4 | C10 | 179.4° | 179.4° |
| C6 | C5 | C10 | C9 | 0.3° | 0.6° |
| C6 | C5 | C4 | H6 | 152.2° | 155.8° |
| C6 | C5 | C4 | H7 | 89.4° | 35.8° |
| C6 | C5 | C10 | H16 | 179.7° | 180.0° |
| C5 | C6 | C7 | H40 | 179.9° | 180.0° |
| C18 | C16 | C15 | C14 | 61.8° | 173.8° |
| C18 | C16 | C15 | C17 | 122.3° | 119.9° |
| C18 | C16 | C15 | H23 | 119.9° | 120.1° |
| C18 | C16 | C17 | H23 | 118.6° | 120.0° |
| C18 | C16 | C17 | H9 | 180.0° | 63.6° |
| C18 | C16 | C17 | H10 | 60.0° | 176.4° |
| C18 | C16 | C17 | H11 | 60.0° | 56.4° |
| C16 | C18 | H12 | H13 | 120.0° | 120.0° |
| C16 | C18 | H12 | H14 | 120.0° | 120.1° |
| C16 | C18 | H13 | H14 | 120.0° | 120.0° |
| C18 | C16 | C15 | H21 | 177.3° | 66.3° |
| C18 | C16 | C15 | H22 | 59.1° | 53.8° |
| C7 | C8 | C9 | H8 | 180.0° | 179.7° |
| C7 | C8 | C9 | C10 | 0.1° | 0.3° |
| C8 | C7 | C6 | H15 | 179.9° | 180.0° |
| C7 | C8 | C9 | H41 | 179.9° | 179.7° |
| C21 | C20 | N3 | C26 | 124.3° | 120.0° |
| C21 | C20 | N3 | H25 | 118.0° | 120.1° |
| C21 | C20 | N3 | C19 | 127.9° | 152.3° |
| C21 | C20 | C26 | H25 | 118.4° | 120.0° |
| C21 | C20 | C26 | O5 | 60.2° | 55.1° |
| C21 | C20 | N3 | H5 | 52.1° | 27.7° |
| C20 | C21 | H26 | H27 | 118.1° | 120.1° |
| C20 | C21 | C22 | H28 | 56.7° | 57.4° |
| C21 | C20 | C26 | H33 | 60.2° | 175.0° |
| C21 | C20 | C26 | H34 | 179.5° | 65.0° |
| N2 | C14 | C19 | C15 | 121.5° | 120.0° |
| N2 | C14 | C19 | H20 | 120.3° | 120.0° |
| N2 | C14 | C15 | H20 | 119.4° | 120.0° |
| N2 | C14 | C19 | N3 | 124.3° | 157.1° |
| N2 | C14 | C15 | C16 | 61.5° | 178.7° |
| N2 | C14 | C19 | O6 | 56.5° | 22.9° |
| N2 | C14 | C15 | H21 | 59.4° | 58.7° |
| N2 | C14 | C15 | H22 | 177.6° | 61.3° |
| C4 | C5 | C10 | C9 | 179.8° | 180.0° |
| C5 | C4 | H6 | H7 | 117.5° | 120.0° |
| C4 | C5 | C6 | H15 | 0.3° | 0.2° |
| C4 | C5 | C10 | H16 | 0.2° | 0.6° |
| C19 | C14 | C15 | H20 | 118.2° | 119.9° |
| C14 | C19 | N3 | C20 | 177.4° | 175.2° |
| C14 | C19 | N3 | O6 | 179.2° | 180.0° |
| C19 | C14 | C15 | C16 | 176.0° | 61.2° |
| C19 | C14 | N2 | H1 | 121.4° | 22.7° |
| C14 | C19 | N3 | H5 | 2.6° | 4.8° |
| C19 | C14 | C15 | H21 | 63.1° | 178.8° |
| C19 | C14 | C15 | H22 | 55.1° | 58.8° |
| C15 | C14 | C19 | N3 | 114.1° | 82.8° |
| C14 | C15 | C16 | H21 | 120.9° | 120.0° |
| C14 | C15 | C16 | H22 | 120.9° | 120.0° |
| C14 | C15 | C16 | C17 | 175.9° | 66.3° |
| C15 | C14 | C19 | O6 | 65.1° | 97.2° |
| C15 | C14 | N2 | H1 | 0.2° | 97.3° |
| C14 | C15 | H21 | H22 | 117.1° | 119.9° |
| C14 | C15 | C16 | H23 | 58.1° | 53.7° |
| C20 | N3 | C19 | H5 | 180.0° | 180.0° |
| N3 | C20 | C26 | H25 | 118.1° | 120.0° |
| C20 | N3 | C19 | O6 | 3.4° | 4.8° |
| N3 | C20 | C26 | O5 | 176.3° | 65.0° |
| N3 | C20 | C21 | H26 | 172.7° | 55.1° |
| N3 | C20 | C21 | H27 | 54.0° | 175.1° |
| N3 | C20 | C26 | H33 | 63.3° | 54.9° |
| N3 | C20 | C26 | H34 | 56.0° | 175.0° |
| C19 | N3 | C20 | C26 | 107.8° | 87.7° |
| N3 | C19 | C14 | H20 | 4.0° | 37.1° |
| C19 | N3 | C20 | H25 | 9.9° | 32.2° |
| C5 | C10 | C9 | C8 | 0.3° | 0.6° |
| C5 | C10 | C9 | H16 | 180.0° | 179.4° |
| C10 | C5 | C4 | H6 | 27.2° | 24.8° |
| C10 | C5 | C4 | H7 | 91.2° | 144.7° |
| C10 | C5 | C6 | H15 | 179.8° | 179.7° |
| C5 | C10 | C9 | H41 | 179.8° | 179.4° |
| C15 | C16 | C17 | H23 | 117.8° | 120.0° |
| C15 | C16 | C17 | H9 | 56.4° | 176.5° |
| C15 | C16 | C17 | H10 | 63.6° | 56.5° |
| C15 | C16 | C17 | H11 | 176.4° | 63.5° |
| C15 | C16 | C18 | H12 | 180.0° | 60.1° |
| C15 | C16 | C18 | H13 | 60.0° | 180.0° |
| C15 | C16 | C18 | H14 | 60.0° | 60.0° |
| C16 | C15 | C14 | H20 | 57.9° | 58.7° |
| C16 | C15 | H21 | H22 | 117.1° | 120.1° |
| C16 | C17 | H9 | H10 | 120.0° | 120.0° |
| C16 | C17 | H9 | H11 | 120.0° | 120.1° |
| C16 | C17 | H10 | H11 | 120.0° | 120.0° |
| C17 | C16 | C18 | H12 | 58.2° | 180.0° |
| C17 | C16 | C18 | H13 | 61.9° | 60.0° |
| C17 | C16 | C18 | H14 | 178.1° | 59.9° |
| C17 | C16 | C15 | H21 | 55.0° | 53.7° |
| C17 | C16 | C15 | H22 | 63.2° | 173.8° |
| C8 | C9 | C10 | H41 | 180.0° | 180.0° |
| C8 | C9 | C10 | H16 | 179.7° | 179.9° |
| C9 | C8 | C7 | H40 | 180.0° | 180.0° |
| C20 | C26 | O5 | H33 | 120.4° | 119.9° |
| C20 | C26 | O5 | H34 | 120.3° | 120.0° |
| C26 | C20 | N3 | H5 | 72.2° | 92.3° |
| C26 | C20 | C21 | H26 | 49.8° | 64.9° |
| C26 | C20 | C21 | H27 | 69.0° | 55.1° |
| C20 | C26 | H33 | H34 | 118.9° | 120.0° |
| C20 | C26 | O5 | H43 | 180.0° | 180.0° |
| O6 | C19 | N3 | H5 | 176.6° | 175.2° |
| O6 | C19 | C14 | H20 | 176.8° | 142.9° |
| O5 | C26 | C20 | H25 | 58.2° | 175.0° |
| O5 | C26 | H33 | H34 | 118.9° | 120.1° |
| C10 | C9 | C8 | H8 | 179.9° | 180.0° |
| H1 | N2 | C14 | H20 | 119.0° | 142.6° |
| H2 | C2 | H3 | H4 | 120.0° | 120.0° |
| H2 | C2 | C1 | H24 | 58.0° | 180.0° |
| H3 | C2 | C1 | H24 | 62.0° | 60.0° |
| H4 | C2 | C1 | H24 | 178.0° | 60.0° |
| H5 | N3 | C20 | H25 | 170.1° | 147.7° |
| H8 | C8 | C7 | H40 | 0.0° | 0.3° |
| H8 | C8 | C9 | H41 | 0.1° | 0.1° |
| H9 | C17 | H10 | H11 | 120.0° | 120.0° |
| H9 | C17 | C16 | H23 | 61.4° | 56.4° |
| H10 | C17 | C16 | H23 | 178.6° | 63.6° |
| H11 | C17 | C16 | H23 | 58.6° | 176.5° |
| H12 | C18 | H13 | H14 | 120.0° | 120.0° |
| H12 | C18 | C16 | H23 | 60.2° | 60.0° |
| H13 | C18 | C16 | H23 | 179.7° | 60.0° |
| H14 | C18 | C16 | H23 | 59.7° | 179.9° |
| H15 | C6 | C7 | H40 | 0.1° | 0.0° |
| H16 | C10 | C9 | H41 | 0.2° | 0.0° |
| H17 | C11 | C12 | H18 | 146.2° | 54.9° |
| H17 | C11 | C12 | H19 | 93.1° | 65.0° |
| H17 | C11 | C27 | H35 | 166.5° | 28.6° |
| H17 | C11 | C27 | H36 | 44.9° | 148.8° |
| H20 | C14 | C15 | H21 | 178.8° | 61.3° |
| H20 | C14 | C15 | H22 | 63.0° | 178.7° |
| H21 | C15 | C16 | H23 | 62.8° | 173.7° |
| H22 | C15 | C16 | H23 | 179.0° | 66.2° |
| H24 | C1 | C3 | H37 | 58.0° | NaN° |
| H24 | C1 | C3 | H38 | 178.0° | 60.0° |
| H24 | C1 | C3 | H39 | 62.0° | 60.0° |
| H25 | C20 | C21 | H26 | 68.8° | 175.1° |
| H25 | C20 | C21 | H27 | 172.4° | 64.8° |
| H25 | C20 | C26 | H33 | 178.6° | 65.1° |
| H25 | C20 | C26 | H34 | 62.1° | 55.0° |
| H26 | C21 | C22 | H28 | 177.3° | 62.7° |
| H27 | C21 | C22 | H28 | 63.9° | 177.4° |
| H28 | C22 | C25 | H31 | 152.5° | 147.9° |
| H28 | C22 | C25 | H32 | 30.5° | 24.1° |
| H29 | C24 | C25 | H31 | 151.9° | 26.3° |
| H29 | C24 | C25 | H32 | 29.9° | 97.4° |
| H29 | C24 | N4 | H42 | 84.5° | 43.9° |
| H30 | C24 | C25 | H31 | 29.8° | 148.2° |
| H30 | C24 | C25 | H32 | 92.3° | 24.4° |
| H30 | C24 | N4 | H42 | 37.7° | 78.1° |
| H33 | C26 | O5 | H43 | 59.6° | 60.1° |
| H34 | C26 | O5 | H43 | 59.7° | 60.0° |
| H37 | C3 | H38 | H39 | 120.0° | 120.0° |
