51G
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| N3 | C5 | sing | 1.47Å | 1.46Å | |
| C5 | C4 | sing | 1.53Å | 1.52Å | |
| C5 | C6 | sing | 1.53Å | 1.53Å | |
| C4 | C3 | sing | 1.53Å | 1.51Å | |
| C3 | C2 | sing | 1.53Å | 1.51Å | |
| C6 | O | sing | 1.43Å | 1.41Å | |
| C6 | O1 | sing | 1.43Å | 1.41Å | |
| O5 | C16 | sing | 1.43Å | 1.44Å | |
| O2 | C12 | sing | 1.43Å | 1.43Å | |
| C | C1 | sing | 1.53Å | 1.52Å | |
| O4 | C17 | sing | 1.43Å | 1.43Å | |
| O4 | C13 | sing | 1.43Å | 1.42Å | |
| C17 | C16 | sing | 1.53Å | 1.53Å | |
| O | C2 | sing | 1.43Å | 1.45Å | |
| C2 | C1 | sing | 1.53Å | 1.50Å | |
| O1 | C7 | sing | 1.43Å | 1.44Å | |
| C16 | C18 | sing | 1.53Å | 1.52Å | |
| C16 | C15 | sing | 1.53Å | 1.52Å | |
| C1 | N4 | sing | 1.47Å | 1.47Å | |
| C13 | C14 | sing | 1.53Å | 1.52Å | |
| C13 | O3 | sing | 1.43Å | 1.40Å | |
| C12 | C7 | sing | 1.53Å | 1.52Å | |
| C12 | C11 | sing | 1.53Å | 1.52Å | |
| C7 | C8 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.53Å | |
| C14 | O6 | sing | 1.43Å | 1.43Å | |
| C15 | N | sing | 1.47Å | 1.46Å | |
| O3 | C11 | sing | 1.43Å | 1.45Å | |
| C11 | C10 | sing | 1.53Å | 1.53Å | |
| N4 | C20 | sing | 1.47Å | 1.45Å | |
| N | C19 | sing | 1.47Å | 1.46Å | |
| C8 | N2 | sing | 1.47Å | 1.48Å | |
| C8 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | C9 | sing | 1.53Å | 1.53Å | |
| C10 | N1 | sing | 1.47Å | 1.48Å | |
| O6 | H1 | sing | 0.97Å | 0.95Å | |
| C14 | H2 | sing | 1.09Å | 1.10Å | |
| C15 | H3 | sing | 1.09Å | 1.10Å | |
| N | H4 | sing | 1.01Å | 1.00Å | |
| C19 | H6 | sing | 1.09Å | 1.10Å | |
| C19 | H7 | sing | 1.09Å | 1.10Å | |
| C19 | H8 | sing | 1.09Å | 1.10Å | |
| C18 | H9 | sing | 1.09Å | 1.10Å | |
| C18 | H10 | sing | 1.09Å | 1.10Å | |
| C18 | H11 | sing | 1.09Å | 1.10Å | |
| O5 | H12 | sing | 0.97Å | 0.95Å | |
| C17 | H13 | sing | 1.09Å | 1.10Å | |
| C17 | H14 | sing | 1.09Å | 1.10Å | |
| C13 | H15 | sing | 1.09Å | 1.10Å | |
| C11 | H16 | sing | 1.09Å | 1.10Å | |
| C10 | H17 | sing | 1.09Å | 1.10Å | |
| N1 | H18 | sing | 1.01Å | 1.00Å | |
| N1 | H19 | sing | 1.01Å | 1.00Å | |
| C9 | H21 | sing | 1.09Å | 1.10Å | |
| C9 | H22 | sing | 1.09Å | 1.10Å | |
| C8 | H23 | sing | 1.09Å | 1.10Å | |
| N2 | H24 | sing | 1.01Å | 1.00Å | |
| N2 | H25 | sing | 1.01Å | 1.00Å | |
| C12 | H27 | sing | 1.09Å | 1.10Å | |
| O2 | H28 | sing | 0.97Å | 0.95Å | |
| C7 | H29 | sing | 1.09Å | 1.10Å | |
| C6 | H30 | sing | 1.09Å | 1.10Å | |
| C5 | H31 | sing | 1.09Å | 1.10Å | |
| N3 | H32 | sing | 1.01Å | 1.00Å | |
| N3 | H33 | sing | 1.01Å | 1.00Å | |
| C4 | H35 | sing | 1.09Å | 1.10Å | |
| C4 | H36 | sing | 1.09Å | 1.10Å | |
| C3 | H37 | sing | 1.09Å | 1.10Å | |
| C3 | H38 | sing | 1.09Å | 1.10Å | |
| C2 | H39 | sing | 1.09Å | 1.10Å | |
| C1 | H40 | sing | 1.09Å | 1.10Å | |
| C | H41 | sing | 1.09Å | 1.10Å | |
| C | H42 | sing | 1.09Å | 1.10Å | |
| C | H43 | sing | 1.09Å | 1.10Å | |
| N4 | H44 | sing | 1.01Å | 1.00Å | |
| C20 | H46 | sing | 1.09Å | 1.10Å | |
| C20 | H47 | sing | 1.09Å | 1.10Å | |
| C20 | H48 | sing | 1.09Å | 1.10Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| N3 | C5 | C4 | 109.3° | 109.5° |
| N3 | C5 | C6 | 111.0° | 109.5° |
| N3 | C5 | H31 | 110.4° | 109.5° |
| C5 | N3 | H32 | 109.5° | 111.0° |
| C5 | N3 | H33 | 109.5° | 111.0° |
| C4 | C5 | C6 | 107.1° | 109.2° |
| C5 | C4 | C3 | 108.1° | 109.0° |
| C4 | C5 | H31 | 109.6° | 109.5° |
| C5 | C4 | H35 | 109.8° | 109.5° |
| C5 | C4 | H36 | 109.8° | 109.5° |
| C5 | C6 | O | 112.0° | 109.4° |
| C5 | C6 | O1 | 110.0° | 109.5° |
| C5 | C6 | H30 | 106.4° | 109.5° |
| C6 | C5 | H31 | 109.4° | 109.5° |
| C4 | C3 | C2 | 111.4° | 109.2° |
| C3 | C4 | H35 | 109.8° | 109.5° |
| C3 | C4 | H36 | 109.8° | 109.6° |
| C4 | C3 | H37 | 109.0° | 109.5° |
| C4 | C3 | H38 | 109.0° | 109.5° |
| C3 | C2 | O | 109.8° | 109.4° |
| C3 | C2 | C1 | 114.5° | 109.5° |
| C2 | C3 | H37 | 109.0° | 109.5° |
| C2 | C3 | H38 | 109.0° | 109.5° |
| C3 | C2 | H39 | 108.4° | 109.5° |
| O | C6 | O1 | 112.5° | 109.5° |
| C6 | O | C2 | 113.6° | 114.1° |
| O | C6 | H30 | 107.8° | 109.5° |
| C6 | O1 | C7 | 118.1° | 114.0° |
| O1 | C6 | H30 | 107.8° | 109.5° |
| O5 | C16 | C17 | 112.1° | 109.6° |
| O5 | C16 | C18 | 108.1° | 109.5° |
| O5 | C16 | C15 | 105.3° | 109.5° |
| C16 | O5 | H12 | 109.5° | 114.0° |
| O2 | C12 | C7 | 106.1° | 109.5° |
| O2 | C12 | C11 | 110.5° | 109.5° |
| O2 | C12 | H27 | 110.2° | 109.5° |
| C12 | O2 | H28 | 109.5° | 114.1° |
| C | C1 | C2 | 111.0° | 109.5° |
| C | C1 | N4 | 110.0° | 109.5° |
| C | C1 | H40 | 107.8° | 109.5° |
| C1 | C | H41 | 109.5° | 109.5° |
| C1 | C | H42 | 109.4° | 109.5° |
| C1 | C | H43 | 109.5° | 109.5° |
| C17 | O4 | C13 | 115.8° | 114.1° |
| O4 | C17 | C16 | 112.7° | 109.4° |
| O4 | C17 | H13 | 108.7° | 109.5° |
| O4 | C17 | H14 | 108.7° | 109.5° |
| O4 | C13 | C14 | 108.2° | 109.4° |
| O4 | C13 | O3 | 107.3° | 109.5° |
| O4 | C13 | H15 | 110.6° | 109.5° |
| C17 | C16 | C18 | 110.2° | 109.5° |
| C17 | C16 | C15 | 109.8° | 109.2° |
| C16 | C17 | H13 | 108.7° | 109.5° |
| C16 | C17 | H14 | 108.7° | 109.5° |
| O | C2 | C1 | 106.3° | 109.4° |
| O | C2 | H39 | 109.2° | 109.5° |
| C2 | C1 | N4 | 111.5° | 109.5° |
| C1 | C2 | H39 | 108.5° | 109.5° |
| C2 | C1 | H40 | 108.0° | 109.4° |
| O1 | C7 | C12 | 107.0° | 109.5° |
| O1 | C7 | C8 | 106.5° | 109.5° |
| O1 | C7 | H29 | 111.1° | 109.5° |
| C18 | C16 | C15 | 111.4° | 109.5° |
| C16 | C18 | H9 | 109.5° | 109.5° |
| C16 | C18 | H10 | 109.5° | 109.5° |
| C16 | C18 | H11 | 109.4° | 109.5° |
| C16 | C15 | C14 | 109.2° | 109.1° |
| C16 | C15 | N | 108.6° | 109.6° |
| C16 | C15 | H3 | 108.8° | 109.6° |
| C1 | N4 | C20 | 112.9° | 111.0° |
| N4 | C1 | H40 | 108.4° | 109.4° |
| C1 | N4 | H44 | 108.6° | 111.0° |
| C14 | C13 | O3 | 110.6° | 109.5° |
| C13 | C14 | C15 | 110.3° | 109.1° |
| C13 | C14 | O6 | 110.5° | 109.5° |
| C13 | C14 | H2 | 108.1° | 109.6° |
| C14 | C13 | H15 | 109.2° | 109.5° |
| C13 | O3 | C11 | 119.3° | 114.0° |
| O3 | C13 | H15 | 110.9° | 109.5° |
| C7 | C12 | C11 | 112.0° | 109.5° |
| C12 | C7 | C8 | 112.3° | 109.5° |
| C7 | C12 | H27 | 109.0° | 109.5° |
| C12 | C7 | H29 | 109.9° | 109.5° |
| C12 | C11 | O3 | 110.0° | 109.5° |
| C12 | C11 | C10 | 109.8° | 109.5° |
| C12 | C11 | H16 | 109.5° | 109.4° |
| C11 | C12 | H27 | 108.9° | 109.4° |
| C7 | C8 | N2 | 112.4° | 109.5° |
| C7 | C8 | C9 | 110.9° | 109.5° |
| C7 | C8 | H23 | 107.8° | 109.5° |
| C8 | C7 | H29 | 110.0° | 109.5° |
| C15 | C14 | O6 | 110.4° | 109.5° |
| C14 | C15 | N | 111.7° | 109.5° |
| C15 | C14 | H2 | 108.1° | 109.5° |
| C14 | C15 | H3 | 108.8° | 109.5° |
| C14 | O6 | H1 | 109.5° | 114.0° |
| O6 | C14 | H2 | 109.4° | 109.6° |
| C15 | N | C19 | 113.0° | 111.0° |
| N | C15 | H3 | 109.6° | 109.6° |
| C15 | N | H4 | 108.6° | 111.0° |
| O3 | C11 | C10 | 107.6° | 109.5° |
| O3 | C11 | H16 | 110.6° | 109.5° |
| C11 | C10 | C9 | 109.6° | 109.5° |
| C11 | C10 | N1 | 113.7° | 109.5° |
| C10 | C11 | H16 | 109.4° | 109.5° |
| C11 | C10 | H17 | 107.3° | 109.5° |
| C20 | N4 | H44 | 108.6° | 111.0° |
| N4 | C20 | H46 | 109.5° | 109.5° |
| N4 | C20 | H47 | 109.5° | 109.5° |
| N4 | C20 | H48 | 109.5° | 109.5° |
| C19 | N | H4 | 108.6° | 111.0° |
| N | C19 | H6 | 109.5° | 109.5° |
| N | C19 | H7 | 109.5° | 109.5° |
| N | C19 | H8 | 109.5° | 109.5° |
| N2 | C8 | C9 | 109.8° | 109.4° |
| N2 | C8 | H23 | 108.2° | 109.5° |
| C8 | N2 | H24 | 109.5° | 111.0° |
| C8 | N2 | H25 | 109.5° | 110.9° |
| C8 | C9 | C10 | 111.4° | 109.4° |
| C8 | C9 | H21 | 109.0° | 109.5° |
| C8 | C9 | H22 | 109.0° | 109.5° |
| C9 | C8 | H23 | 107.6° | 109.5° |
| C9 | C10 | N1 | 110.7° | 109.4° |
| C9 | C10 | H17 | 107.3° | 109.5° |
| C10 | C9 | H21 | 109.0° | 109.5° |
| C10 | C9 | H22 | 109.0° | 109.5° |
| N1 | C10 | H17 | 108.0° | 109.5° |
| C10 | N1 | H18 | 109.5° | 111.0° |
| C10 | N1 | H19 | 109.5° | 111.0° |
| H6 | C19 | H7 | 109.4° | 109.5° |
| H6 | C19 | H8 | 109.5° | 109.4° |
| H7 | C19 | H8 | 109.5° | 109.5° |
| H9 | C18 | H10 | 109.4° | 109.4° |
| H9 | C18 | H11 | 109.5° | 109.4° |
| H10 | C18 | H11 | 109.5° | 109.5° |
| H13 | C17 | H14 | 109.5° | 109.5° |
| H18 | N1 | H19 | 109.5° | 111.0° |
| H21 | C9 | H22 | 109.5° | 109.5° |
| H24 | N2 | H25 | 109.5° | 111.0° |
| H32 | N3 | H33 | 109.5° | 111.0° |
| H35 | C4 | H36 | 109.5° | 109.6° |
| H37 | C3 | H38 | 109.4° | 109.6° |
| H41 | C | H42 | 109.5° | 109.4° |
| H41 | C | H43 | 109.5° | 109.4° |
| H42 | C | H43 | 109.5° | 109.5° |
| H46 | C20 | H47 | 109.5° | 109.5° |
| H46 | C20 | H48 | 109.4° | 109.5° |
| H47 | C20 | H48 | 109.5° | 109.5° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| N3 | C5 | C4 | C6 | 120.4° | 119.9° |
| N3 | C5 | C4 | H31 | 121.1° | 120.2° |
| N3 | C5 | C6 | H31 | 122.0° | 120.2° |
| N3 | C5 | C4 | C3 | 179.0° | 176.9° |
| N3 | C5 | C6 | O | 179.0° | 177.5° |
| N3 | C5 | C6 | O1 | 53.1° | 57.5° |
| N3 | C5 | C6 | H30 | 63.4° | 62.5° |
| C5 | N3 | H32 | H33 | 120.0° | 123.9° |
| N3 | C5 | C4 | H35 | 59.3° | 57.0° |
| N3 | C5 | C4 | H36 | 61.2° | 63.2° |
| C4 | C5 | C6 | H31 | 118.7° | 119.9° |
| C5 | C4 | C3 | H35 | 119.8° | 119.8° |
| C5 | C4 | C3 | H36 | 119.8° | 119.9° |
| C5 | C4 | C3 | C2 | 58.9° | 56.9° |
| C4 | C5 | C6 | O | 59.7° | 57.6° |
| C4 | C5 | C6 | O1 | 66.3° | 62.4° |
| C4 | C5 | C6 | H30 | 177.3° | 177.6° |
| C4 | C5 | N3 | H32 | 180.0° | 60.0° |
| C4 | C5 | N3 | H33 | 60.0° | 64.0° |
| C5 | C4 | H35 | H36 | 120.7° | 120.2° |
| C5 | C4 | C3 | H37 | 179.2° | 176.8° |
| C5 | C4 | C3 | H38 | 61.4° | 62.9° |
| C6 | C5 | C4 | C3 | 58.7° | 57.0° |
| C5 | C6 | O | O1 | 124.6° | 120.0° |
| C5 | C6 | O | H30 | 116.7° | 120.0° |
| C5 | C6 | O1 | H30 | 115.6° | 120.1° |
| C5 | C6 | O | C2 | 58.8° | 61.2° |
| C5 | C6 | O1 | C7 | 127.4° | 168.2° |
| C6 | C5 | N3 | H32 | 62.0° | 179.7° |
| C6 | C5 | N3 | H33 | 178.0° | 55.7° |
| C6 | C5 | C4 | H35 | 61.1° | 62.9° |
| C6 | C5 | C4 | H36 | 178.4° | 176.9° |
| C4 | C3 | C2 | H37 | 120.3° | 119.9° |
| C4 | C3 | C2 | H38 | 120.3° | 119.9° |
| C4 | C3 | C2 | O | 55.3° | 57.6° |
| C4 | C3 | C2 | C1 | 174.7° | 177.6° |
| C3 | C4 | C5 | H31 | 59.9° | 63.0° |
| C3 | C4 | H35 | H36 | 120.6° | 120.3° |
| C4 | C3 | H37 | H38 | 119.1° | 120.2° |
| C4 | C3 | C2 | H39 | 63.9° | 62.4° |
| C3 | C2 | O | C6 | 55.1° | 61.2° |
| C3 | C2 | C1 | C | 54.1° | 65.0° |
| C3 | C2 | O | C1 | 124.3° | 120.0° |
| C3 | C2 | O | H39 | 118.7° | 120.0° |
| C3 | C2 | C1 | H39 | 121.2° | 120.0° |
| C3 | C2 | C1 | N4 | 177.2° | 175.0° |
| C2 | C3 | C4 | H35 | 60.9° | 62.9° |
| C2 | C3 | C4 | H36 | 178.7° | 176.8° |
| C2 | C3 | H37 | H38 | 119.1° | 120.1° |
| C3 | C2 | C1 | H40 | 63.8° | 55.0° |
| O | C6 | O1 | H30 | 118.8° | 120.0° |
| C6 | O | C2 | C1 | 179.5° | 178.9° |
| O | C6 | O1 | C7 | 107.0° | 71.9° |
| O | C6 | C5 | H31 | 59.0° | 62.3° |
| C6 | O | C2 | H39 | 63.6° | 58.8° |
| O1 | C6 | O | C2 | 65.7° | 58.8° |
| C6 | O1 | C7 | C12 | 137.6° | 88.0° |
| C6 | O1 | C7 | C8 | 102.0° | 152.0° |
| C6 | O1 | C7 | H29 | 17.8° | 32.0° |
| O1 | C6 | C5 | H31 | 175.1° | 177.7° |
| O5 | C16 | C17 | O4 | 65.7° | 62.3° |
| O5 | C16 | C17 | C18 | 120.3° | 120.2° |
| O5 | C16 | C17 | C15 | 116.6° | 119.9° |
| O5 | C16 | C18 | C15 | 115.2° | 120.1° |
| O5 | C16 | C15 | C14 | 67.7° | 63.0° |
| O5 | C16 | C15 | N | 54.3° | 56.9° |
| O5 | C16 | C15 | H3 | 173.6° | 177.1° |
| O5 | C16 | C18 | H9 | 180.0° | 60.2° |
| O5 | C16 | C18 | H10 | 60.0° | 59.9° |
| O5 | C16 | C18 | H11 | 60.0° | 179.9° |
| O5 | C16 | C17 | H13 | 54.8° | 177.7° |
| O5 | C16 | C17 | H14 | 173.9° | 57.7° |
| O2 | C12 | C7 | O1 | 68.7° | 60.0° |
| O2 | C12 | C7 | C11 | 120.7° | 120.1° |
| O2 | C12 | C7 | H27 | 118.7° | 120.0° |
| O2 | C12 | C11 | H27 | 121.2° | 120.0° |
| O2 | C12 | C7 | C8 | 174.8° | 180.0° |
| O2 | C12 | C11 | O3 | 67.2° | 59.9° |
| O2 | C12 | C11 | C10 | 174.7° | 180.0° |
| O2 | C12 | C11 | H16 | 54.6° | 60.0° |
| O2 | C12 | C7 | H29 | 52.0° | 60.0° |
| C | C1 | C2 | O | 67.3° | 55.0° |
| C | C1 | C2 | N4 | 123.1° | 120.1° |
| C | C1 | C2 | H40 | 117.9° | 120.0° |
| C | C1 | N4 | H40 | 117.6° | 120.0° |
| C | C1 | N4 | C20 | 69.5° | 85.0° |
| C | C1 | C2 | H39 | 175.4° | 175.0° |
| C1 | C | H41 | H42 | 120.0° | 120.0° |
| C1 | C | H41 | H43 | 120.0° | 120.0° |
| C1 | C | H42 | H43 | 120.0° | 120.0° |
| C | C1 | N4 | H44 | 51.1° | 39.0° |
| O4 | C17 | C16 | H13 | 120.5° | 120.0° |
| O4 | C17 | C16 | H14 | 120.5° | 120.0° |
| O4 | C17 | C16 | C18 | 174.0° | 177.5° |
| O4 | C17 | C16 | C15 | 50.9° | 57.6° |
| C17 | O4 | C13 | C14 | 58.3° | 61.2° |
| C17 | O4 | C13 | O3 | 61.0° | 58.8° |
| O4 | C17 | H13 | H14 | 118.5° | 120.0° |
| C17 | O4 | C13 | H15 | 177.9° | 178.9° |
| C13 | O4 | C17 | C16 | 55.6° | 61.2° |
| O4 | C13 | C14 | O3 | 117.2° | 120.0° |
| O4 | C13 | C14 | H15 | 120.5° | 120.0° |
| O4 | C13 | O3 | H15 | 121.0° | 120.1° |
| O4 | C13 | C14 | C15 | 59.2° | 57.6° |
| O4 | C13 | C14 | O6 | 178.5° | 177.5° |
| O4 | C13 | O3 | C11 | 87.8° | 73.2° |
| O4 | C13 | C14 | H2 | 58.8° | 62.3° |
| C13 | O4 | C17 | H13 | 176.0° | 58.8° |
| C13 | O4 | C17 | H14 | 64.9° | 178.8° |
| C17 | C16 | C18 | C15 | 122.1° | 119.7° |
| C17 | C16 | C15 | C14 | 53.1° | 57.0° |
| C17 | C16 | C15 | N | 175.1° | 176.8° |
| C17 | C16 | C15 | H3 | 65.6° | 62.9° |
| C17 | C16 | C18 | H9 | 57.3° | 179.7° |
| C17 | C16 | C18 | H10 | 177.3° | 60.3° |
| C17 | C16 | C18 | H11 | 62.7° | 59.7° |
| C17 | C16 | O5 | H12 | 180.0° | 60.2° |
| C16 | C17 | H13 | H14 | 118.5° | 120.0° |
| O | C2 | C1 | H39 | 117.4° | 120.1° |
| O | C2 | C1 | N4 | 55.8° | 65.1° |
| C2 | O | C6 | H30 | 175.5° | 178.8° |
| O | C2 | C3 | H37 | 175.6° | 177.5° |
| O | C2 | C3 | H38 | 65.0° | 62.3° |
| O | C2 | C1 | H40 | 174.8° | 174.9° |
| C2 | C1 | N4 | H40 | 118.7° | 120.0° |
| C2 | C1 | N4 | C20 | 166.9° | 155.0° |
| C1 | C2 | C3 | H37 | 65.0° | 62.5° |
| C1 | C2 | C3 | H38 | 54.4° | 57.7° |
| C2 | C1 | C | H41 | 180.0° | 180.0° |
| C2 | C1 | C | H42 | 60.0° | 60.0° |
| C2 | C1 | C | H43 | 60.0° | 60.0° |
| C2 | C1 | N4 | H44 | 72.5° | 81.0° |
| O1 | C7 | C12 | C8 | 116.6° | 120.0° |
| O1 | C7 | C12 | H29 | 120.6° | 120.0° |
| O1 | C7 | C12 | C11 | 170.6° | 180.0° |
| O1 | C7 | C8 | H29 | 120.5° | 120.0° |
| O1 | C7 | C8 | N2 | 67.2° | 60.1° |
| O1 | C7 | C8 | C9 | 169.5° | 180.0° |
| O1 | C7 | C8 | H23 | 52.0° | 60.0° |
| O1 | C7 | C12 | H27 | 50.0° | 60.0° |
| C7 | O1 | C6 | H30 | 11.8° | 48.1° |
| C18 | C16 | C15 | C14 | 175.4° | 176.9° |
| C18 | C16 | C15 | N | 62.6° | 63.2° |
| C18 | C16 | C15 | H3 | 56.7° | 57.0° |
| C16 | C18 | H9 | H10 | 120.0° | 120.1° |
| C16 | C18 | H9 | H11 | 120.0° | 120.0° |
| C16 | C18 | H10 | H11 | 120.0° | 120.0° |
| C18 | C16 | O5 | H12 | 58.4° | 59.9° |
| C18 | C16 | C17 | H13 | 65.5° | 57.5° |
| C18 | C16 | C17 | H14 | 53.5° | 62.5° |
| C16 | C15 | C14 | C13 | 58.5° | 57.0° |
| C16 | C15 | C14 | N | 120.1° | 119.9° |
| C16 | C15 | C14 | H3 | 118.7° | 120.0° |
| C16 | C15 | C14 | O6 | 179.1° | 176.9° |
| C16 | C15 | N | H3 | 118.8° | 120.3° |
| C16 | C15 | N | C19 | 108.3° | 155.4° |
| C16 | C15 | C14 | H2 | 59.5° | 62.9° |
| C16 | C15 | N | H4 | 131.2° | 80.6° |
| C15 | C16 | C18 | H9 | 64.8° | 60.0° |
| C15 | C16 | C18 | H10 | 55.2° | 180.0° |
| C15 | C16 | C18 | H11 | 175.2° | 60.0° |
| C15 | C16 | O5 | H12 | 60.8° | 179.9° |
| C15 | C16 | C17 | H13 | 171.4° | 62.4° |
| C15 | C16 | C17 | H14 | 69.5° | 177.6° |
| C1 | N4 | C20 | H44 | 120.5° | 123.9° |
| N4 | C1 | C2 | H39 | 61.6° | 55.0° |
| N4 | C1 | C | H41 | 56.1° | 60.0° |
| N4 | C1 | C | H42 | 176.1° | 179.9° |
| N4 | C1 | C | H43 | 63.9° | 60.0° |
| C1 | N4 | C20 | H46 | 180.0° | 60.1° |
| C1 | N4 | C20 | H47 | 60.0° | 60.0° |
| C1 | N4 | C20 | H48 | 60.0° | 180.0° |
| C14 | C13 | O3 | H15 | 121.2° | 120.0° |
| C13 | C14 | C15 | O6 | 122.4° | 119.9° |
| C13 | C14 | C15 | H2 | 118.0° | 119.9° |
| C13 | C14 | O6 | H2 | 118.9° | 120.2° |
| C13 | C14 | C15 | N | 178.6° | 176.9° |
| C14 | C13 | O3 | C11 | 154.4° | 166.9° |
| C13 | C14 | O6 | H1 | 180.0° | 60.4° |
| C13 | C14 | C15 | H3 | 60.2° | 63.0° |
| C13 | O3 | C11 | C12 | 87.7° | 150.2° |
| O3 | C13 | C14 | C15 | 58.1° | 62.4° |
| O3 | C13 | C14 | O6 | 64.3° | 57.5° |
| C13 | O3 | C11 | C10 | 152.7° | 89.8° |
| O3 | C13 | C14 | H2 | 176.0° | 177.7° |
| C13 | O3 | C11 | H16 | 33.3° | 30.2° |
| C7 | C12 | C11 | H27 | 120.6° | 120.0° |
| C12 | C7 | C8 | H29 | 122.7° | 120.0° |
| C7 | C12 | C11 | O3 | 174.7° | 180.0° |
| C7 | C12 | C11 | C10 | 56.5° | 60.0° |
| C12 | C7 | C8 | N2 | 176.0° | 180.0° |
| C12 | C7 | C8 | C9 | 52.6° | 60.0° |
| C7 | C12 | C11 | H16 | 63.6° | 60.0° |
| C12 | C7 | C8 | H23 | 64.9° | 60.0° |
| C7 | C12 | O2 | H28 | 180.0° | 174.9° |
| C11 | C12 | C7 | C8 | 54.1° | 60.0° |
| C12 | C11 | O3 | C10 | 119.5° | 120.0° |
| C12 | C11 | O3 | H16 | 121.1° | 119.9° |
| C12 | C11 | C10 | H16 | 120.2° | 120.0° |
| C12 | C11 | C10 | C9 | 58.4° | 60.0° |
| C12 | C11 | C10 | N1 | 177.1° | 180.0° |
| C12 | C11 | C10 | H17 | 57.8° | 60.0° |
| C11 | C12 | O2 | H28 | 58.3° | 65.1° |
| C11 | C12 | C7 | H29 | 68.7° | 60.1° |
| C7 | C8 | N2 | C9 | 124.0° | 120.0° |
| C7 | C8 | N2 | H23 | 118.9° | 120.1° |
| C7 | C8 | C9 | H23 | 117.6° | 120.0° |
| C7 | C8 | C9 | C10 | 55.4° | 60.0° |
| C7 | C8 | C9 | H21 | 175.7° | 60.0° |
| C7 | C8 | C9 | H22 | 64.9° | 180.0° |
| C7 | C8 | N2 | H24 | 180.0° | 173.2° |
| C7 | C8 | N2 | H25 | 60.0° | 62.9° |
| C8 | C7 | C12 | H27 | 66.6° | 60.0° |
| C15 | C14 | O6 | H2 | 118.8° | 120.2° |
| C14 | C15 | N | H3 | 120.7° | 120.1° |
| C14 | C15 | N | C19 | 131.2° | 85.0° |
| C15 | C14 | O6 | H1 | 57.7° | 180.0° |
| C14 | C15 | N | H4 | 10.7° | 39.0° |
| C15 | C14 | C13 | H15 | 179.6° | 177.6° |
| O6 | C14 | C15 | N | 59.0° | 63.3° |
| O6 | C14 | C15 | H3 | 62.2° | 56.9° |
| O6 | C14 | C13 | H15 | 58.0° | 62.5° |
| C15 | N | C19 | H4 | 120.5° | 124.0° |
| N | C15 | C14 | H2 | 60.6° | 56.9° |
| C15 | N | C19 | H6 | 180.0° | 60.0° |
| C15 | N | C19 | H7 | 60.0° | 60.0° |
| C15 | N | C19 | H8 | 60.0° | 180.0° |
| O3 | C11 | C10 | H16 | 120.2° | 120.0° |
| O3 | C11 | C10 | C9 | 178.1° | 180.0° |
| O3 | C11 | C10 | N1 | 57.5° | 60.0° |
| C11 | O3 | C13 | H15 | 33.2° | 46.9° |
| O3 | C11 | C10 | H17 | 61.9° | 60.0° |
| O3 | C11 | C12 | H27 | 54.1° | 60.0° |
| C11 | C10 | C9 | C8 | 58.6° | 60.0° |
| C11 | C10 | C9 | N1 | 126.2° | 120.0° |
| C11 | C10 | C9 | H17 | 116.2° | 120.0° |
| C11 | C10 | N1 | H17 | 119.0° | 120.0° |
| C11 | C10 | N1 | H18 | 180.0° | 180.0° |
| C11 | C10 | N1 | H19 | 60.0° | 56.0° |
| C11 | C10 | C9 | H21 | 178.9° | 60.0° |
| C11 | C10 | C9 | H22 | 61.7° | 180.0° |
| C10 | C11 | C12 | H27 | 64.1° | 60.0° |
| C20 | N4 | C1 | H40 | 48.2° | 35.0° |
| N4 | C20 | H46 | H47 | 120.0° | 120.0° |
| N4 | C20 | H46 | H48 | 120.0° | 120.0° |
| N4 | C20 | H47 | H48 | 120.0° | 120.0° |
| C19 | N | C15 | H3 | 10.5° | 35.1° |
| N | C19 | H6 | H7 | 120.0° | 120.0° |
| N | C19 | H6 | H8 | 120.0° | 120.0° |
| N | C19 | H7 | H8 | 120.0° | 120.0° |
| N2 | C8 | C9 | H23 | 117.5° | 120.0° |
| N2 | C8 | C9 | C10 | 179.7° | 180.0° |
| N2 | C8 | C9 | H21 | 59.4° | 60.0° |
| N2 | C8 | C9 | H22 | 60.0° | 60.0° |
| C8 | N2 | H24 | H25 | 120.0° | 123.9° |
| N2 | C8 | C7 | H29 | 53.3° | 59.9° |
| C8 | C9 | C10 | H21 | 120.3° | 120.0° |
| C8 | C9 | C10 | H22 | 120.3° | 120.0° |
| C8 | C9 | C10 | N1 | 175.2° | 180.0° |
| C8 | C9 | C10 | H17 | 57.6° | 60.0° |
| C8 | C9 | H21 | H22 | 119.1° | 120.0° |
| C9 | C8 | N2 | H24 | 56.0° | 53.3° |
| C9 | C8 | N2 | H25 | 176.1° | 177.2° |
| C9 | C8 | C7 | H29 | 70.1° | 60.0° |
| C9 | C10 | N1 | H17 | 117.2° | 120.0° |
| C9 | C10 | C11 | H16 | 61.7° | 60.0° |
| C9 | C10 | N1 | H18 | 56.2° | 60.0° |
| C9 | C10 | N1 | H19 | 63.9° | 64.0° |
| C10 | C9 | H21 | H22 | 119.1° | 120.0° |
| C10 | C9 | C8 | H23 | 62.2° | 60.0° |
| N1 | C10 | C11 | H16 | 62.7° | 60.0° |
| C10 | N1 | H18 | H19 | 120.0° | 124.0° |
| N1 | C10 | C9 | H21 | 54.9° | 60.0° |
| N1 | C10 | C9 | H22 | 64.5° | 60.0° |
| H1 | O6 | C14 | H2 | 61.1° | 59.8° |
| H2 | C14 | C15 | H3 | 178.2° | 177.1° |
| H2 | C14 | C13 | H15 | 61.7° | 57.7° |
| H3 | C15 | N | H4 | 110.0° | 159.1° |
| H4 | N | C19 | H6 | 59.5° | 176.0° |
| H4 | N | C19 | H7 | 179.5° | 64.0° |
| H4 | N | C19 | H8 | 60.5° | 56.0° |
| H6 | C19 | H7 | H8 | 120.0° | 120.0° |
| H9 | C18 | H10 | H11 | 120.0° | 119.9° |
| H16 | C11 | C10 | H17 | 177.9° | 180.0° |
| H16 | C11 | C12 | H27 | 175.8° | 180.0° |
| H17 | C10 | N1 | H18 | 61.0° | 60.0° |
| H17 | C10 | N1 | H19 | 178.9° | 176.0° |
| H17 | C10 | C9 | H21 | 62.7° | 180.0° |
| H17 | C10 | C9 | H22 | 177.9° | 60.0° |
| H21 | C9 | C8 | H23 | 58.1° | 180.0° |
| H22 | C9 | C8 | H23 | 177.5° | 60.0° |
| H23 | C8 | N2 | H24 | 61.1° | 66.7° |
| H23 | C8 | N2 | H25 | 58.9° | 57.2° |
| H23 | C8 | C7 | H29 | 172.4° | 180.0° |
| H27 | C12 | O2 | H28 | 62.2° | 54.9° |
| H27 | C12 | C7 | H29 | 170.6° | 180.0° |
| H30 | C6 | C5 | H31 | 58.6° | 57.7° |
| H31 | C5 | N3 | H32 | 59.4° | 60.1° |
| H31 | C5 | N3 | H33 | 60.6° | 175.9° |
| H31 | C5 | C4 | H35 | 179.7° | 177.2° |
| H31 | C5 | C4 | H36 | 59.9° | 56.9° |
| H35 | C4 | C3 | H37 | 59.4° | 57.0° |
| H35 | C4 | C3 | H38 | 178.8° | 177.3° |
| H36 | C4 | C3 | H37 | 61.0° | 63.3° |
| H36 | C4 | C3 | H38 | 58.4° | 56.9° |
| H37 | C3 | C2 | H39 | 56.4° | 57.5° |
| H38 | C3 | C2 | H39 | 175.8° | 177.7° |
| H39 | C2 | C1 | H40 | 57.4° | 65.0° |
| H40 | C1 | C | H41 | 61.9° | 60.0° |
| H40 | C1 | C | H42 | 58.1° | 59.9° |
| H40 | C1 | C | H43 | 178.1° | 180.0° |
| H40 | C1 | N4 | H44 | 168.7° | 159.0° |
| H41 | C | H42 | H43 | 120.0° | 120.0° |
| H44 | N4 | C20 | H46 | 59.4° | 176.0° |
| H44 | N4 | C20 | H47 | 179.4° | 64.0° |
| H44 | N4 | C20 | H48 | 60.5° | 56.0° |
| H46 | C20 | H47 | H48 | 120.0° | 120.0° |
