84G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N4 | C13 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C8 | sing | 1.53Å | 1.53Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| O9 | C21 | sing | 1.43Å | 1.42Å | |
| N2 | C6 | sing | 1.47Å | 1.47Å | |
| O2 | C8 | sing | 1.43Å | 1.41Å | |
| O2 | C7 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C6 | C5 | sing | 1.53Å | 1.52Å | |
| C8 | O3 | sing | 1.43Å | 1.41Å | |
| C14 | C7 | sing | 1.53Å | 1.52Å | |
| C14 | O4 | sing | 1.43Å | 1.42Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C5 | C4 | sing | 1.53Å | 1.53Å | |
| O5 | C15 | sing | 1.43Å | 1.44Å | |
| O5 | C16 | sing | 1.43Å | 1.40Å | |
| N5 | C20 | sing | 1.47Å | 1.47Å | |
| C4 | C15 | sing | 1.53Å | 1.54Å | |
| C4 | N1 | sing | 1.46Å | 1.46Å | |
| C11 | C9 | sing | 1.53Å | 1.51Å | |
| C21 | C20 | sing | 1.53Å | 1.53Å | |
| C21 | C16 | sing | 1.53Å | 1.53Å | |
| C20 | C19 | sing | 1.53Å | 1.52Å | |
| C16 | O6 | sing | 1.43Å | 1.41Å | |
| O3 | C9 | sing | 1.43Å | 1.44Å | |
| C9 | C10 | sing | 1.53Å | 1.51Å | |
| N1 | C3 | sing | 1.35Å | 1.34Å | |
| C19 | O8 | sing | 1.43Å | 1.42Å | |
| C19 | C17 | sing | 1.53Å | 1.53Å | |
| O6 | C17 | sing | 1.43Å | 1.44Å | |
| C17 | C18 | sing | 1.53Å | 1.52Å | |
| C10 | N3 | sing | 1.47Å | 1.45Å | |
| C3 | O1 | doub | 1.21Å | 1.23Å | |
| C3 | C2 | sing | 1.51Å | 1.57Å | |
| O | C2 | sing | 1.43Å | 1.42Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C18 | O7 | sing | 1.43Å | 1.43Å | |
| C1 | C | sing | 1.53Å | 1.52Å | |
| C | N | sing | 1.47Å | 1.49Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C4 | H4 | sing | 1.09Å | 1.10Å | |
| C5 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| O4 | H7 | sing | 0.97Å | 0.95Å | |
| O | H8 | sing | 0.97Å | 0.95Å | |
| C | H9 | sing | 1.09Å | 1.10Å | |
| C | H10 | sing | 1.09Å | 1.10Å | |
| N | H11 | sing | 1.01Å | 1.00Å | |
| N | H12 | sing | 1.01Å | 1.00Å | |
| N1 | H14 | sing | 0.97Å | 1.00Å | |
| C15 | H15 | sing | 1.09Å | 1.10Å | |
| C16 | H16 | sing | 1.09Å | 1.10Å | |
| C21 | H17 | sing | 1.09Å | 1.10Å | |
| O9 | H18 | sing | 0.97Å | 0.95Å | |
| C20 | H19 | sing | 1.09Å | 1.10Å | |
| N5 | H20 | sing | 1.01Å | 1.00Å | |
| N5 | H21 | sing | 1.01Å | 1.00Å | |
| C19 | H23 | sing | 1.09Å | 1.10Å | |
| O8 | H24 | sing | 0.97Å | 0.95Å | |
| C17 | H25 | sing | 1.09Å | 1.10Å | |
| C18 | H26 | sing | 1.09Å | 1.10Å | |
| C18 | H27 | sing | 1.09Å | 1.10Å | |
| O7 | H28 | sing | 0.97Å | 0.95Å | |
| C14 | H29 | sing | 1.09Å | 1.10Å | |
| C7 | H30 | sing | 1.09Å | 1.10Å | |
| C6 | H31 | sing | 1.09Å | 1.10Å | |
| N2 | H32 | sing | 1.01Å | 1.00Å | |
| N2 | H33 | sing | 1.01Å | 1.00Å | |
| C8 | H35 | sing | 1.09Å | 1.10Å | |
| C13 | H36 | sing | 1.09Å | 1.10Å | |
| N4 | H37 | sing | 1.01Å | 1.00Å | |
| N4 | H38 | sing | 1.01Å | 1.00Å | |
| C12 | H40 | sing | 1.09Å | 1.10Å | |
| C12 | H41 | sing | 1.09Å | 1.10Å | |
| C11 | H42 | sing | 1.09Å | 1.10Å | |
| C11 | H43 | sing | 1.09Å | 1.10Å | |
| C9 | H44 | sing | 1.09Å | 1.10Å | |
| C10 | H45 | sing | 1.09Å | 1.10Å | |
| C10 | H46 | sing | 1.09Å | 1.10Å | |
| N3 | H47 | sing | 1.01Å | 1.00Å | |
| N3 | H48 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N4 | C13 | C12 | 109.2° | 109.5° |
| N4 | C13 | C8 | 108.8° | 109.5° |
| N4 | C13 | H36 | 107.9° | 109.5° |
| C13 | N4 | H37 | 109.5° | 111.0° |
| C13 | N4 | H38 | 109.5° | 111.0° |
| C12 | C13 | C8 | 116.4° | 109.2° |
| C13 | C12 | C11 | 113.4° | 109.0° |
| C12 | C13 | H36 | 107.1° | 109.5° |
| C13 | C12 | H40 | 108.4° | 109.6° |
| C13 | C12 | H41 | 108.5° | 109.6° |
| C13 | C8 | O2 | 105.6° | 109.5° |
| C13 | C8 | O3 | 110.8° | 109.4° |
| C13 | C8 | H35 | 108.1° | 109.5° |
| C8 | C13 | H36 | 107.1° | 109.6° |
| C12 | C11 | C9 | 109.8° | 109.2° |
| C11 | C12 | H40 | 108.5° | 109.5° |
| C11 | C12 | H41 | 108.5° | 109.5° |
| C12 | C11 | H42 | 109.4° | 109.5° |
| C12 | C11 | H43 | 109.4° | 109.5° |
| O9 | C21 | C20 | 111.3° | 109.5° |
| O9 | C21 | C16 | 111.1° | 109.6° |
| O9 | C21 | H17 | 109.1° | 109.6° |
| C21 | O9 | H18 | 109.5° | 114.0° |
| N2 | C6 | C7 | 113.4° | 109.5° |
| N2 | C6 | C5 | 109.9° | 109.4° |
| N2 | C6 | H31 | 108.6° | 109.5° |
| C6 | N2 | H32 | 109.5° | 111.0° |
| C6 | N2 | H33 | 109.4° | 110.9° |
| C8 | O2 | C7 | 119.2° | 114.0° |
| O2 | C8 | O3 | 112.8° | 109.5° |
| O2 | C8 | H35 | 109.6° | 109.5° |
| O2 | C7 | C6 | 107.3° | 109.4° |
| O2 | C7 | C14 | 109.8° | 109.5° |
| O2 | C7 | H30 | 110.8° | 109.4° |
| C7 | C6 | C5 | 109.0° | 109.5° |
| C6 | C7 | C14 | 109.7° | 109.5° |
| C6 | C7 | H30 | 109.6° | 109.5° |
| C7 | C6 | H31 | 107.9° | 109.5° |
| C6 | C5 | C4 | 112.1° | 109.5° |
| C6 | C5 | H5 | 108.8° | 109.5° |
| C6 | C5 | H6 | 108.8° | 109.5° |
| C5 | C6 | H31 | 107.9° | 109.4° |
| C8 | O3 | C9 | 114.9° | 114.1° |
| O3 | C8 | H35 | 109.7° | 109.5° |
| C7 | C14 | O4 | 111.5° | 109.5° |
| C7 | C14 | C15 | 110.1° | 109.4° |
| C7 | C14 | H29 | 107.7° | 109.5° |
| C14 | C7 | H30 | 109.7° | 109.5° |
| O4 | C14 | C15 | 110.8° | 109.5° |
| C14 | O4 | H7 | 109.5° | 114.0° |
| O4 | C14 | H29 | 109.0° | 109.5° |
| C14 | C15 | O5 | 103.0° | 109.5° |
| C14 | C15 | C4 | 113.4° | 109.5° |
| C14 | C15 | H15 | 110.9° | 109.5° |
| C15 | C14 | H29 | 107.7° | 109.4° |
| C5 | C4 | C15 | 114.5° | 109.5° |
| C5 | C4 | N1 | 108.4° | 109.5° |
| C5 | C4 | H4 | 107.8° | 109.4° |
| C4 | C5 | H5 | 108.8° | 109.4° |
| C4 | C5 | H6 | 108.8° | 109.5° |
| C15 | O5 | C16 | 117.3° | 114.0° |
| O5 | C15 | C4 | 106.5° | 109.5° |
| O5 | C15 | H15 | 112.2° | 109.4° |
| O5 | C16 | C21 | 110.3° | 109.4° |
| O5 | C16 | O6 | 107.8° | 109.5° |
| O5 | C16 | H16 | 110.2° | 109.5° |
| N5 | C20 | C21 | 111.5° | 109.5° |
| N5 | C20 | C19 | 110.1° | 109.5° |
| N5 | C20 | H19 | 109.7° | 109.6° |
| C20 | N5 | H20 | 109.5° | 111.0° |
| C20 | N5 | H21 | 109.5° | 111.0° |
| C15 | C4 | N1 | 109.7° | 109.5° |
| C15 | C4 | H4 | 107.6° | 109.5° |
| C4 | C15 | H15 | 110.6° | 109.5° |
| C4 | N1 | C3 | 121.1° | 120.0° |
| N1 | C4 | H4 | 108.6° | 109.5° |
| C4 | N1 | H14 | 119.4° | 120.0° |
| C11 | C9 | O3 | 110.1° | 109.4° |
| C11 | C9 | C10 | 113.1° | 109.5° |
| C9 | C11 | H42 | 109.4° | 109.5° |
| C9 | C11 | H43 | 109.4° | 109.6° |
| C11 | C9 | H44 | 109.7° | 109.5° |
| C20 | C21 | C16 | 109.9° | 109.1° |
| C21 | C20 | C19 | 107.8° | 109.0° |
| C20 | C21 | H17 | 107.7° | 109.5° |
| C21 | C20 | H19 | 108.8° | 109.6° |
| C21 | C16 | O6 | 109.9° | 109.4° |
| C21 | C16 | H16 | 108.5° | 109.4° |
| C16 | C21 | H17 | 107.7° | 109.5° |
| C20 | C19 | O8 | 109.5° | 109.5° |
| C20 | C19 | C17 | 109.4° | 109.1° |
| C19 | C20 | H19 | 108.9° | 109.5° |
| C20 | C19 | H23 | 109.6° | 109.5° |
| C16 | O6 | C17 | 113.6° | 114.1° |
| O6 | C16 | H16 | 110.1° | 109.5° |
| O3 | C9 | C10 | 103.5° | 109.5° |
| O3 | C9 | H44 | 110.7° | 109.5° |
| C9 | C10 | N3 | 111.8° | 109.5° |
| C10 | C9 | H44 | 109.6° | 109.5° |
| C9 | C10 | H45 | 108.9° | 109.5° |
| C9 | C10 | H46 | 108.9° | 109.5° |
| N1 | C3 | O1 | 122.7° | 120.0° |
| N1 | C3 | C2 | 118.0° | 120.0° |
| C3 | N1 | H14 | 119.5° | 119.9° |
| O8 | C19 | C17 | 107.7° | 109.5° |
| O8 | C19 | H23 | 111.1° | 109.6° |
| C19 | O8 | H24 | 109.5° | 114.0° |
| C19 | C17 | O6 | 110.0° | 109.4° |
| C19 | C17 | C18 | 112.6° | 109.5° |
| C17 | C19 | H23 | 109.5° | 109.6° |
| C19 | C17 | H25 | 108.8° | 109.5° |
| O6 | C17 | C18 | 106.6° | 109.5° |
| O6 | C17 | H25 | 109.9° | 109.5° |
| C17 | C18 | O7 | 111.1° | 109.5° |
| C18 | C17 | H25 | 108.9° | 109.5° |
| C17 | C18 | H26 | 109.0° | 109.5° |
| C17 | C18 | H27 | 109.0° | 109.4° |
| N3 | C10 | H45 | 108.9° | 109.5° |
| N3 | C10 | H46 | 108.9° | 109.5° |
| C10 | N3 | H47 | 109.5° | 111.0° |
| C10 | N3 | H48 | 109.5° | 111.0° |
| O1 | C3 | C2 | 119.4° | 120.0° |
| C3 | C2 | O | 113.3° | 109.5° |
| C3 | C2 | C1 | 110.0° | 109.4° |
| C3 | C2 | H3 | 107.5° | 109.5° |
| O | C2 | C1 | 108.5° | 109.5° |
| O | C2 | H3 | 109.5° | 109.5° |
| C2 | O | H8 | 109.5° | 114.0° |
| C2 | C1 | C | 113.4° | 109.4° |
| C2 | C1 | H1 | 108.5° | 109.5° |
| C2 | C1 | H2 | 108.5° | 109.4° |
| C1 | C2 | H3 | 108.1° | 109.5° |
| O7 | C18 | H26 | 109.1° | 109.5° |
| O7 | C18 | H27 | 109.0° | 109.5° |
| C18 | O7 | H28 | 109.5° | 114.0° |
| C1 | C | N | 111.6° | 109.4° |
| C | C1 | H1 | 108.5° | 109.5° |
| C | C1 | H2 | 108.5° | 109.5° |
| C1 | C | H9 | 109.0° | 109.4° |
| C1 | C | H10 | 108.9° | 109.5° |
| N | C | H9 | 108.9° | 109.5° |
| N | C | H10 | 109.0° | 109.5° |
| C | N | H11 | 109.5° | 111.0° |
| C | N | H12 | 109.5° | 111.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H5 | C5 | H6 | 109.5° | 109.4° |
| H9 | C | H10 | 109.5° | 109.5° |
| H11 | N | H12 | 109.5° | 111.1° |
| H20 | N5 | H21 | 109.5° | 111.0° |
| H26 | C18 | H27 | 109.5° | 109.5° |
| H32 | N2 | H33 | 109.5° | 111.0° |
| H37 | N4 | H38 | 109.5° | 111.0° |
| H40 | C12 | H41 | 109.5° | 109.6° |
| H42 | C11 | H43 | 109.5° | 109.5° |
| H45 | C10 | H46 | 109.5° | 109.4° |
| H47 | N3 | H48 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N4 | C13 | C12 | C8 | 123.6° | 119.9° |
| N4 | C13 | C12 | H36 | 116.6° | 120.1° |
| N4 | C13 | C8 | H36 | 116.3° | 120.2° |
| N4 | C13 | C12 | C11 | 160.4° | 176.9° |
| N4 | C13 | C8 | O2 | 40.8° | 57.6° |
| N4 | C13 | C8 | O3 | 163.2° | 177.5° |
| N4 | C13 | C8 | H35 | 76.5° | 62.5° |
| C13 | N4 | H37 | H38 | 120.0° | 123.9° |
| N4 | C13 | C12 | H40 | 39.8° | 57.0° |
| N4 | C13 | C12 | H41 | 79.0° | 63.2° |
| C12 | C13 | C8 | H36 | 119.8° | 119.9° |
| C13 | C12 | C11 | H40 | 120.6° | 119.9° |
| C13 | C12 | C11 | H41 | 120.6° | 119.9° |
| C12 | C13 | C8 | O2 | 83.1° | 62.3° |
| C12 | C13 | C8 | O3 | 39.4° | 57.6° |
| C13 | C12 | C11 | C9 | 45.0° | 57.0° |
| C12 | C13 | C8 | H35 | 159.6° | 177.6° |
| C12 | C13 | N4 | H37 | 180.0° | 60.0° |
| C12 | C13 | N4 | H38 | 60.0° | 64.0° |
| C13 | C12 | H40 | H41 | 118.2° | 120.3° |
| C13 | C12 | C11 | H42 | 165.0° | 176.9° |
| C13 | C12 | C11 | H43 | 75.0° | 63.0° |
| C8 | C13 | C12 | C11 | 36.8° | 57.0° |
| C13 | C8 | O2 | O3 | 121.1° | 119.9° |
| C13 | C8 | O2 | H35 | 116.3° | 120.1° |
| C13 | C8 | O2 | C7 | 177.6° | 163.8° |
| C13 | C8 | O3 | H35 | 119.3° | 120.0° |
| C13 | C8 | O3 | C9 | 54.1° | 61.2° |
| C8 | C13 | N4 | H37 | 52.0° | 179.7° |
| C8 | C13 | N4 | H38 | 172.0° | 55.7° |
| C8 | C13 | C12 | H40 | 83.8° | 62.9° |
| C8 | C13 | C12 | H41 | 157.4° | 176.9° |
| C12 | C11 | C9 | H42 | 120.0° | 119.9° |
| C12 | C11 | C9 | H43 | 120.0° | 119.9° |
| C12 | C11 | C9 | O3 | 58.2° | 57.6° |
| C12 | C11 | C9 | C10 | 173.4° | 177.6° |
| C11 | C12 | C13 | H36 | 83.0° | 63.0° |
| C11 | C12 | H40 | H41 | 118.2° | 120.2° |
| C12 | C11 | H42 | H43 | 119.9° | 120.1° |
| C12 | C11 | C9 | H44 | 63.9° | 62.4° |
| O9 | C21 | C16 | O5 | 63.2° | 57.5° |
| O9 | C21 | C20 | N5 | 58.1° | 63.3° |
| O9 | C21 | C20 | C16 | 123.4° | 119.9° |
| O9 | C21 | C20 | H17 | 119.5° | 120.2° |
| O9 | C21 | C16 | H17 | 119.4° | 120.2° |
| O9 | C21 | C20 | C19 | 179.1° | 176.9° |
| O9 | C21 | C16 | O6 | 178.1° | 177.5° |
| O9 | C21 | C16 | H16 | 57.6° | 62.5° |
| O9 | C21 | C20 | H19 | 63.0° | 57.0° |
| N2 | C6 | C7 | O2 | 53.2° | 60.0° |
| N2 | C6 | C7 | C5 | 122.8° | 119.9° |
| N2 | C6 | C7 | H31 | 120.3° | 120.1° |
| N2 | C6 | C5 | H31 | 118.3° | 120.0° |
| N2 | C6 | C7 | C14 | 172.5° | 180.0° |
| N2 | C6 | C5 | C4 | 178.9° | 180.0° |
| N2 | C6 | C5 | H5 | 58.5° | 60.0° |
| N2 | C6 | C5 | H6 | 60.7° | 60.0° |
| N2 | C6 | C7 | H30 | 67.1° | 59.9° |
| C6 | N2 | H32 | H33 | 120.0° | 123.9° |
| C8 | O2 | C7 | C6 | 174.2° | 148.9° |
| O2 | C8 | O3 | H35 | 122.6° | 120.1° |
| C8 | O2 | C7 | C14 | 66.7° | 91.1° |
| O2 | C8 | O3 | C9 | 64.0° | 58.8° |
| C8 | O2 | C7 | H30 | 54.6° | 28.9° |
| O2 | C8 | C13 | H36 | 157.1° | 177.7° |
| O2 | C7 | C6 | C14 | 119.2° | 120.0° |
| O2 | C7 | C6 | H30 | 120.3° | 120.0° |
| O2 | C7 | C6 | C5 | 176.0° | 180.0° |
| C7 | O2 | C8 | O3 | 61.3° | 76.3° |
| O2 | C7 | C14 | H30 | 122.0° | 120.0° |
| O2 | C7 | C14 | O4 | 57.4° | 60.0° |
| O2 | C7 | C14 | C15 | 179.2° | 180.0° |
| O2 | C7 | C14 | H29 | 62.1° | 60.1° |
| O2 | C7 | C6 | H31 | 67.1° | 60.0° |
| C7 | O2 | C8 | H35 | 61.3° | 43.7° |
| C7 | C6 | C5 | H31 | 116.9° | 120.1° |
| C6 | C7 | C14 | H30 | 120.4° | 120.1° |
| C6 | C7 | C14 | O4 | 175.1° | 180.0° |
| C6 | C7 | C14 | C15 | 61.5° | 60.0° |
| C7 | C6 | C5 | C4 | 56.3° | 60.0° |
| C7 | C6 | C5 | H5 | 176.7° | 60.0° |
| C7 | C6 | C5 | H6 | 64.1° | 180.0° |
| C6 | C7 | C14 | H29 | 55.6° | 59.9° |
| C7 | C6 | N2 | H32 | 180.0° | 168.8° |
| C7 | C6 | N2 | H33 | 60.0° | 67.3° |
| C5 | C6 | C7 | C14 | 64.8° | 60.0° |
| C6 | C5 | C4 | H5 | 120.4° | 120.0° |
| C6 | C5 | C4 | H6 | 120.4° | 120.1° |
| C6 | C5 | C4 | C15 | 46.1° | 59.9° |
| C6 | C5 | C4 | N1 | 169.0° | 180.0° |
| C6 | C5 | C4 | H4 | 73.6° | 60.0° |
| C6 | C5 | H5 | H6 | 118.8° | 120.1° |
| C5 | C6 | C7 | H30 | 55.7° | 60.0° |
| C5 | C6 | N2 | H32 | 57.7° | 48.8° |
| C5 | C6 | N2 | H33 | 177.7° | 172.7° |
| C8 | O3 | C9 | C11 | 65.8° | 61.2° |
| C8 | O3 | C9 | C10 | 173.1° | 178.9° |
| O3 | C8 | C13 | H36 | 80.5° | 62.3° |
| C8 | O3 | C9 | H44 | 55.7° | 58.8° |
| C7 | C14 | O4 | C15 | 123.0° | 120.0° |
| C7 | C14 | O4 | H29 | 118.7° | 120.1° |
| C7 | C14 | C15 | H29 | 117.1° | 119.9° |
| C7 | C14 | C15 | O5 | 164.9° | 180.0° |
| C7 | C14 | C15 | C4 | 50.2° | 60.0° |
| C7 | C14 | O4 | H7 | 180.0° | 65.9° |
| C7 | C14 | C15 | H15 | 75.0° | 60.1° |
| C14 | C7 | C6 | H31 | 52.1° | 59.9° |
| O4 | C14 | C15 | H29 | 119.0° | 120.0° |
| O4 | C14 | C15 | O5 | 71.3° | 60.0° |
| O4 | C14 | C15 | C4 | 174.0° | 180.0° |
| O4 | C14 | C15 | H15 | 48.9° | 60.0° |
| O4 | C14 | C7 | H30 | 64.6° | 60.0° |
| C14 | C15 | C4 | C5 | 43.1° | 60.0° |
| C14 | C15 | O5 | C4 | 119.6° | 120.0° |
| C14 | C15 | O5 | H15 | 119.3° | 120.0° |
| C14 | C15 | O5 | C16 | 169.4° | 122.2° |
| C14 | C15 | C4 | H15 | 125.3° | 120.1° |
| C14 | C15 | C4 | N1 | 165.2° | 180.0° |
| C14 | C15 | C4 | H4 | 76.7° | 59.9° |
| C15 | C14 | O4 | H7 | 57.0° | 174.2° |
| C15 | C14 | C7 | H30 | 58.8° | 60.0° |
| C5 | C4 | C15 | O5 | 155.7° | 180.0° |
| C5 | C4 | C15 | N1 | 122.1° | 120.1° |
| C5 | C4 | C15 | H4 | 119.8° | 119.9° |
| C5 | C4 | N1 | H4 | 116.9° | 119.9° |
| C5 | C4 | N1 | C3 | 70.1° | 84.9° |
| C4 | C5 | H5 | H6 | 118.8° | 120.0° |
| C5 | C4 | N1 | H14 | 109.9° | 95.0° |
| C5 | C4 | C15 | H15 | 82.2° | 60.1° |
| C4 | C5 | C6 | H31 | 60.6° | 60.1° |
| O5 | C15 | C4 | H15 | 122.1° | 119.9° |
| O5 | C15 | C4 | N1 | 82.2° | 60.0° |
| C15 | O5 | C16 | C21 | 170.7° | 163.3° |
| C15 | O5 | C16 | O6 | 50.7° | 76.8° |
| O5 | C15 | C4 | H4 | 35.8° | 60.1° |
| C15 | O5 | C16 | H16 | 69.5° | 43.3° |
| O5 | C15 | C14 | H29 | 47.7° | 60.0° |
| C16 | O5 | C15 | C4 | 71.0° | 117.8° |
| O5 | C16 | C21 | C20 | 60.4° | 62.4° |
| O5 | C16 | C21 | O6 | 118.7° | 120.0° |
| O5 | C16 | C21 | H16 | 120.8° | 120.0° |
| O5 | C16 | O6 | H16 | 120.2° | 120.1° |
| O5 | C16 | O6 | C17 | 60.4° | 58.8° |
| C16 | O5 | C15 | H15 | 50.2° | 2.2° |
| O5 | C16 | C21 | H17 | 177.5° | 177.7° |
| N5 | C20 | C21 | C19 | 121.0° | 119.8° |
| N5 | C20 | C21 | H19 | 121.1° | 120.3° |
| N5 | C20 | C21 | C16 | 178.5° | 176.8° |
| N5 | C20 | C19 | H19 | 120.2° | 120.3° |
| N5 | C20 | C19 | O8 | 63.1° | 63.3° |
| N5 | C20 | C19 | C17 | 179.1° | 176.8° |
| N5 | C20 | C21 | H17 | 61.4° | 56.9° |
| C20 | N5 | H20 | H21 | 120.0° | 124.0° |
| N5 | C20 | C19 | H23 | 59.0° | 56.8° |
| C15 | C4 | N1 | H4 | 117.4° | 120.0° |
| C15 | C4 | N1 | C3 | 55.6° | 155.0° |
| C15 | C4 | C5 | H5 | 166.5° | 60.1° |
| C15 | C4 | C5 | H6 | 74.3° | 180.0° |
| C15 | C4 | N1 | H14 | 124.4° | 25.0° |
| C4 | C15 | C14 | H29 | 67.0° | 60.0° |
| C4 | N1 | C3 | H14 | 180.0° | 179.9° |
| C4 | N1 | C3 | O1 | 1.9° | 0.1° |
| C4 | N1 | C3 | C2 | 177.9° | 180.0° |
| N1 | C4 | C5 | H5 | 70.7° | 60.0° |
| N1 | C4 | C5 | H6 | 48.6° | 59.9° |
| N1 | C4 | C15 | H15 | 40.0° | 60.0° |
| C11 | C9 | O3 | C10 | 121.1° | 119.9° |
| C11 | C9 | O3 | H44 | 121.5° | 120.0° |
| C11 | C9 | C10 | H44 | 122.8° | 120.1° |
| C11 | C9 | C10 | N3 | 173.7° | 175.1° |
| C9 | C11 | C12 | H40 | 75.6° | 62.9° |
| C9 | C11 | C12 | H41 | 165.6° | 176.9° |
| C9 | C11 | H42 | H43 | 119.8° | 120.2° |
| C11 | C9 | C10 | H45 | 53.4° | 55.1° |
| C11 | C9 | C10 | H46 | 65.9° | 64.9° |
| C20 | C21 | C16 | H17 | 117.1° | 119.9° |
| C21 | C20 | C19 | H19 | 117.9° | 119.9° |
| C20 | C21 | C16 | O6 | 58.3° | 57.6° |
| C21 | C20 | C19 | O8 | 175.1° | 176.9° |
| C21 | C20 | C19 | C17 | 57.3° | 57.0° |
| C20 | C21 | C16 | H16 | 178.8° | 177.6° |
| C20 | C21 | O9 | H18 | 180.0° | 180.0° |
| C21 | C20 | N5 | H20 | 180.0° | 60.0° |
| C21 | C20 | N5 | H21 | 60.0° | 64.0° |
| C21 | C20 | C19 | H23 | 62.8° | 63.0° |
| C16 | C21 | C20 | C19 | 57.5° | 57.0° |
| C21 | C16 | O6 | H16 | 119.5° | 120.0° |
| C21 | C16 | O6 | C17 | 59.8° | 61.1° |
| C16 | C21 | O9 | H18 | 57.3° | 60.3° |
| C16 | C21 | C20 | H19 | 60.4° | 62.9° |
| C20 | C19 | O8 | C17 | 118.9° | 119.7° |
| C20 | C19 | O8 | H23 | 121.2° | 120.1° |
| C20 | C19 | C17 | H23 | 120.1° | 119.9° |
| C20 | C19 | C17 | O6 | 57.7° | 57.6° |
| C20 | C19 | C17 | C18 | 176.4° | 177.6° |
| C19 | C20 | C21 | H17 | 59.6° | 62.9° |
| C19 | C20 | N5 | H20 | 60.4° | 179.6° |
| C19 | C20 | N5 | H21 | 179.6° | 55.5° |
| C20 | C19 | O8 | H24 | 180.0° | 180.0° |
| C20 | C19 | C17 | H25 | 62.8° | 62.4° |
| C16 | O6 | C17 | C19 | 59.9° | 61.2° |
| C16 | O6 | C17 | C18 | 177.8° | 178.9° |
| O6 | C16 | C21 | H17 | 58.7° | 62.3° |
| C16 | O6 | C17 | H25 | 59.9° | 58.8° |
| O3 | C9 | C10 | H44 | 118.1° | 120.0° |
| O3 | C9 | C10 | N3 | 67.2° | 65.0° |
| C9 | O3 | C8 | H35 | 173.5° | 178.9° |
| O3 | C9 | C11 | H42 | 178.2° | 177.5° |
| O3 | C9 | C11 | H43 | 61.8° | 62.3° |
| O3 | C9 | C10 | H45 | 172.5° | 174.9° |
| O3 | C9 | C10 | H46 | 53.2° | 55.0° |
| C9 | C10 | N3 | H45 | 120.3° | 120.0° |
| C9 | C10 | N3 | H46 | 120.4° | 120.0° |
| C10 | C9 | C11 | H42 | 66.5° | 62.6° |
| C10 | C9 | C11 | H43 | 53.4° | 57.6° |
| C9 | C10 | H45 | H46 | 119.0° | 120.0° |
| C9 | C10 | N3 | H47 | 180.0° | 56.0° |
| C9 | C10 | N3 | H48 | 60.0° | 180.0° |
| N1 | C3 | O1 | C2 | 179.8° | 179.9° |
| N1 | C3 | C2 | O | 7.8° | 175.0° |
| N1 | C3 | C2 | C1 | 129.4° | 65.1° |
| N1 | C3 | C2 | H3 | 113.2° | 55.0° |
| C3 | N1 | C4 | H4 | 173.0° | 35.0° |
| O8 | C19 | C17 | H23 | 120.9° | 120.2° |
| O8 | C19 | C17 | O6 | 176.7° | 177.5° |
| O8 | C19 | C17 | C18 | 64.6° | 62.5° |
| O8 | C19 | C20 | H19 | 57.2° | 57.0° |
| O8 | C19 | C17 | H25 | 56.2° | 57.5° |
| C19 | C17 | O6 | C18 | 122.3° | 120.0° |
| C19 | C17 | O6 | H25 | 119.8° | 120.0° |
| C19 | C17 | C18 | H25 | 120.7° | 120.0° |
| C19 | C17 | C18 | O7 | 98.2° | 170.1° |
| C17 | C19 | C20 | H19 | 60.6° | 62.9° |
| C17 | C19 | O8 | H24 | 61.1° | 60.3° |
| C19 | C17 | C18 | H26 | 141.5° | 50.1° |
| C19 | C17 | C18 | H27 | 22.0° | 70.0° |
| O6 | C17 | C18 | H25 | 118.6° | 120.0° |
| O6 | C17 | C18 | O7 | 22.5° | 69.9° |
| C17 | O6 | C16 | H16 | 179.3° | 178.9° |
| O6 | C17 | C19 | H23 | 62.4° | 62.3° |
| O6 | C17 | C18 | H26 | 97.7° | 170.0° |
| O6 | C17 | C18 | H27 | 142.7° | 50.0° |
| C17 | C18 | O7 | H26 | 120.2° | 120.0° |
| C17 | C18 | O7 | H27 | 120.2° | 119.9° |
| C18 | C17 | C19 | H23 | 56.3° | 57.7° |
| C17 | C18 | H26 | H27 | 119.2° | 120.0° |
| C17 | C18 | O7 | H28 | 180.0° | 179.9° |
| N3 | C10 | C9 | H44 | 50.9° | 55.0° |
| N3 | C10 | H45 | H46 | 118.9° | 120.0° |
| C10 | N3 | H47 | H48 | 120.0° | 123.9° |
| O1 | C3 | C2 | O | 172.4° | 4.9° |
| O1 | C3 | C2 | C1 | 50.8° | 115.0° |
| O1 | C3 | C2 | H3 | 66.6° | 124.9° |
| O1 | C3 | N1 | H14 | 178.1° | 180.0° |
| C3 | C2 | O | C1 | 122.4° | 120.0° |
| C3 | C2 | O | H3 | 119.9° | 120.0° |
| C3 | C2 | C1 | H3 | 117.1° | 120.0° |
| C3 | C2 | C1 | C | 101.6° | 175.0° |
| C3 | C2 | C1 | H1 | 137.9° | 65.0° |
| C3 | C2 | C1 | H2 | 19.0° | 55.0° |
| C3 | C2 | O | H8 | 180.0° | 60.0° |
| C2 | C3 | N1 | H14 | 2.1° | 0.1° |
| O | C2 | C1 | H3 | 118.6° | 120.0° |
| O | C2 | C1 | C | 134.1° | 65.0° |
| O | C2 | C1 | H1 | 13.5° | 55.0° |
| O | C2 | C1 | H2 | 105.3° | 175.0° |
| C2 | C1 | C | H1 | 120.6° | 120.0° |
| C2 | C1 | C | H2 | 120.6° | 120.0° |
| C2 | C1 | C | N | 130.5° | 179.9° |
| C2 | C1 | H1 | H2 | 118.2° | 120.0° |
| C1 | C2 | O | H8 | 57.6° | 60.0° |
| C2 | C1 | C | H9 | 109.2° | 60.0° |
| C2 | C1 | C | H10 | 10.1° | 60.0° |
| O7 | C18 | C17 | H25 | 141.1° | 50.1° |
| O7 | C18 | H26 | H27 | 119.3° | 120.0° |
| C1 | C | N | H9 | 120.3° | 119.9° |
| C1 | C | N | H10 | 120.3° | 120.0° |
| C | C1 | H1 | H2 | 118.2° | 120.0° |
| C | C1 | C2 | H3 | 15.5° | 55.0° |
| C1 | C | H9 | H10 | 119.0° | 120.0° |
| C1 | C | N | H11 | 180.0° | 56.0° |
| C1 | C | N | H12 | 60.0° | 180.0° |
| N | C | C1 | H1 | 9.9° | 60.1° |
| N | C | C1 | H2 | 108.9° | 60.0° |
| N | C | H9 | H10 | 119.0° | 120.0° |
| C | N | H11 | H12 | 120.1° | 124.0° |
| H1 | C1 | C2 | H3 | 105.1° | 175.0° |
| H1 | C1 | C | H9 | 130.2° | 180.0° |
| H1 | C1 | C | H10 | 110.4° | 60.0° |
| H2 | C1 | C2 | H3 | 136.1° | 65.0° |
| H2 | C1 | C | H9 | 11.4° | 60.0° |
| H2 | C1 | C | H10 | 130.7° | 180.0° |
| H3 | C2 | O | H8 | 60.1° | 180.0° |
| H4 | C4 | C5 | H5 | 46.7° | 180.0° |
| H4 | C4 | C5 | H6 | 166.0° | 60.0° |
| H4 | C4 | N1 | H14 | 7.0° | 145.1° |
| H4 | C4 | C15 | H15 | 158.0° | 180.0° |
| H5 | C5 | C6 | H31 | 59.8° | 180.0° |
| H6 | C5 | C6 | H31 | 179.0° | 60.0° |
| H7 | O4 | C14 | H29 | 61.3° | 54.2° |
| H9 | C | N | H11 | 59.7° | 64.0° |
| H9 | C | N | H12 | 179.7° | 60.1° |
| H10 | C | N | H11 | 59.7° | 176.0° |
| H10 | C | N | H12 | 60.3° | 60.0° |
| H15 | C15 | C14 | H29 | 167.9° | 180.0° |
| H16 | C16 | C21 | H17 | 61.8° | 57.7° |
| H17 | C21 | O9 | H18 | 61.3° | 59.8° |
| H17 | C21 | C20 | H19 | 177.5° | 177.2° |
| H19 | C20 | N5 | H20 | 59.4° | 60.2° |
| H19 | C20 | N5 | H21 | 60.6° | 175.8° |
| H19 | C20 | C19 | H23 | 179.3° | 177.1° |
| H23 | C19 | O8 | H24 | 58.8° | 59.9° |
| H23 | C19 | C17 | H25 | 177.1° | 177.7° |
| H25 | C17 | C18 | H26 | 20.8° | 69.9° |
| H25 | C17 | C18 | H27 | 98.7° | 170.0° |
| H26 | C18 | O7 | H28 | 59.8° | 60.0° |
| H27 | C18 | O7 | H28 | 59.8° | 60.0° |
| H29 | C14 | C7 | H30 | 176.0° | 180.0° |
| H30 | C7 | C6 | H31 | 172.6° | 180.0° |
| H31 | C6 | N2 | H32 | 60.1° | 71.1° |
| H31 | C6 | N2 | H33 | 59.9° | 52.8° |
| H35 | C8 | C13 | H36 | 39.8° | 57.6° |
| H36 | C13 | N4 | H37 | 63.9° | 60.1° |
| H36 | C13 | N4 | H38 | 56.1° | 175.9° |
| H36 | C13 | C12 | H40 | 156.4° | 177.2° |
| H36 | C13 | C12 | H41 | 37.6° | 56.9° |
| H40 | C12 | C11 | H42 | 44.4° | 57.0° |
| H40 | C12 | C11 | H43 | 164.4° | 177.1° |
| H41 | C12 | C11 | H42 | 74.4° | 63.2° |
| H41 | C12 | C11 | H43 | 45.6° | 56.9° |
| H42 | C11 | C9 | H44 | 56.2° | 57.5° |
| H43 | C11 | C9 | H44 | 176.1° | 177.7° |
| H44 | C9 | C10 | H45 | 69.4° | 65.0° |
| H44 | C9 | C10 | H46 | 171.3° | 175.1° |
| H45 | C10 | N3 | H47 | 59.7° | 64.0° |
| H45 | C10 | N3 | H48 | 179.7° | 59.9° |
| H46 | C10 | N3 | H47 | 59.6° | 176.1° |
| H46 | C10 | N3 | H48 | 60.4° | 60.0° |
