84D
Bonds
| First atom | Second atom | Bond order type | Distance (experimental model) | Distance (ideal model) | Properties |
| O7 | C13 | sing | 1.43Å | 1.43Å | |
| N | C5 | sing | 1.47Å | 1.47Å | |
| C13 | C12 | sing | 1.53Å | 1.52Å | |
| C13 | C14 | sing | 1.53Å | 1.54Å | |
| N1 | C14 | sing | 1.47Å | 1.47Å | |
| C12 | O4 | sing | 1.43Å | 1.41Å | |
| C12 | O3 | sing | 1.43Å | 1.40Å | |
| C5 | C4 | sing | 1.53Å | 1.51Å | |
| C14 | C15 | sing | 1.53Å | 1.54Å | |
| O4 | C16 | sing | 1.43Å | 1.44Å | |
| C15 | C16 | sing | 1.53Å | 1.52Å | |
| C15 | O6 | sing | 1.43Å | 1.43Å | |
| O5 | C17 | sing | 1.43Å | 1.43Å | |
| C16 | C17 | sing | 1.53Å | 1.51Å | |
| O3 | C10 | sing | 1.43Å | 1.42Å | |
| O2 | C11 | sing | 1.43Å | 1.43Å | |
| C10 | C11 | sing | 1.53Å | 1.51Å | |
| C10 | C9 | sing | 1.53Å | 1.51Å | |
| O | C4 | sing | 1.43Å | 1.44Å | |
| O | C3 | sing | 1.43Å | 1.41Å | |
| C4 | C | sing | 1.53Å | 1.51Å | |
| N2 | C9 | sing | 1.47Å | 1.47Å | |
| C11 | C6 | sing | 1.53Å | 1.53Å | |
| C6 | O1 | sing | 1.43Å | 1.44Å | |
| C6 | C7 | sing | 1.53Å | 1.53Å | |
| C9 | C8 | sing | 1.53Å | 1.53Å | |
| C8 | C7 | sing | 1.53Å | 1.53Å | |
| C3 | O1 | sing | 1.43Å | 1.42Å | |
| C3 | C2 | sing | 1.53Å | 1.52Å | |
| C | C1 | sing | 1.53Å | 1.53Å | |
| C7 | N3 | sing | 1.47Å | 1.47Å | |
| C2 | C1 | sing | 1.53Å | 1.52Å | |
| C2 | N4 | sing | 1.47Å | 1.47Å | |
| C1 | H1 | sing | 1.09Å | 1.10Å | |
| C1 | H2 | sing | 1.09Å | 1.10Å | |
| C2 | H3 | sing | 1.09Å | 1.10Å | |
| C3 | H4 | sing | 1.09Å | 1.10Å | |
| C4 | H5 | sing | 1.09Å | 1.10Å | |
| C5 | H6 | sing | 1.09Å | 1.10Å | |
| C5 | H7 | sing | 1.09Å | 1.10Å | |
| O5 | H8 | sing | 0.97Å | 0.95Å | |
| C6 | H9 | sing | 1.09Å | 1.10Å | |
| O6 | H10 | sing | 0.97Å | 0.95Å | |
| C7 | H11 | sing | 1.09Å | 1.10Å | |
| O7 | H12 | sing | 0.97Å | 0.95Å | |
| C8 | H13 | sing | 1.09Å | 1.10Å | |
| C8 | H14 | sing | 1.09Å | 1.10Å | |
| C9 | H15 | sing | 1.09Å | 1.10Å | |
| C10 | H16 | sing | 1.09Å | 1.10Å | |
| C11 | H17 | sing | 1.09Å | 1.10Å | |
| C12 | H18 | sing | 1.09Å | 1.10Å | |
| C13 | H19 | sing | 1.09Å | 1.10Å | |
| C14 | H20 | sing | 1.09Å | 1.10Å | |
| N1 | H21 | sing | 1.01Å | 1.00Å | |
| N1 | H22 | sing | 1.01Å | 1.00Å | |
| C15 | H24 | sing | 1.09Å | 1.10Å | |
| C16 | H25 | sing | 1.09Å | 1.10Å | |
| C17 | H26 | sing | 1.09Å | 1.10Å | |
| C17 | H27 | sing | 1.09Å | 1.10Å | |
| N2 | H28 | sing | 1.01Å | 1.00Å | |
| N2 | H29 | sing | 1.01Å | 1.00Å | |
| N3 | H31 | sing | 1.01Å | 1.00Å | |
| N3 | H32 | sing | 1.01Å | 1.00Å | |
| O2 | H34 | sing | 0.97Å | 0.95Å | |
| N4 | H35 | sing | 1.01Å | 1.00Å | |
| N4 | H36 | sing | 1.01Å | 1.00Å | |
| C | H38 | sing | 1.09Å | 1.10Å | |
| C | H39 | sing | 1.09Å | 1.10Å | |
| N | H40 | sing | 1.01Å | 1.00Å | |
| N | H41 | sing | 1.01Å | 1.00Å |
Angles
| First atom | Second atom | Third atom | Angle (experimental model) | Angle (ideal model) |
| O7 | C13 | C12 | 110.8° | 109.5° |
| O7 | C13 | C14 | 115.1° | 109.5° |
| C13 | O7 | H12 | 109.5° | 114.0° |
| O7 | C13 | H19 | 108.9° | 109.5° |
| N | C5 | C4 | 114.4° | 109.5° |
| N | C5 | H6 | 108.2° | 109.5° |
| N | C5 | H7 | 108.2° | 109.5° |
| C5 | N | H40 | 109.5° | 111.0° |
| C5 | N | H41 | 109.4° | 111.1° |
| C12 | C13 | C14 | 106.5° | 109.1° |
| C13 | C12 | O4 | 110.3° | 109.4° |
| C13 | C12 | O3 | 109.7° | 109.5° |
| C13 | C12 | H18 | 108.8° | 109.5° |
| C12 | C13 | H19 | 107.7° | 109.5° |
| C13 | C14 | N1 | 115.1° | 109.5° |
| C13 | C14 | C15 | 106.6° | 109.0° |
| C14 | C13 | H19 | 107.5° | 109.6° |
| C13 | C14 | H20 | 107.0° | 109.6° |
| N1 | C14 | C15 | 112.7° | 109.5° |
| N1 | C14 | H20 | 107.9° | 109.6° |
| C14 | N1 | H21 | 109.5° | 111.1° |
| C14 | N1 | H22 | 109.5° | 111.0° |
| O4 | C12 | O3 | 107.4° | 109.5° |
| C12 | O4 | C16 | 115.0° | 114.1° |
| O4 | C12 | H18 | 110.2° | 109.5° |
| C12 | O3 | C10 | 115.8° | 114.1° |
| O3 | C12 | H18 | 110.5° | 109.4° |
| C5 | C4 | O | 101.7° | 109.5° |
| C5 | C4 | C | 115.1° | 109.5° |
| C5 | C4 | H5 | 109.5° | 109.5° |
| C4 | C5 | H6 | 108.2° | 109.5° |
| C4 | C5 | H7 | 108.2° | 109.5° |
| C14 | C15 | C16 | 106.5° | 109.1° |
| C14 | C15 | O6 | 113.3° | 109.5° |
| C15 | C14 | H20 | 107.0° | 109.6° |
| C14 | C15 | H24 | 109.0° | 109.6° |
| O4 | C16 | C15 | 110.3° | 109.4° |
| O4 | C16 | C17 | 106.0° | 109.5° |
| O4 | C16 | H25 | 110.0° | 109.5° |
| C16 | C15 | O6 | 108.1° | 109.5° |
| C15 | C16 | C17 | 112.7° | 109.5° |
| C16 | C15 | H24 | 109.2° | 109.5° |
| C15 | C16 | H25 | 108.8° | 109.5° |
| C15 | O6 | H10 | 109.5° | 114.0° |
| O6 | C15 | H24 | 110.6° | 109.6° |
| O5 | C17 | C16 | 110.0° | 109.5° |
| C17 | O5 | H8 | 109.5° | 114.0° |
| O5 | C17 | H26 | 109.3° | 109.4° |
| O5 | C17 | H27 | 109.3° | 109.5° |
| C17 | C16 | H25 | 109.1° | 109.4° |
| C16 | C17 | H26 | 109.3° | 109.5° |
| C16 | C17 | H27 | 109.3° | 109.5° |
| O3 | C10 | C11 | 108.2° | 109.5° |
| O3 | C10 | C9 | 110.1° | 109.4° |
| O3 | C10 | H16 | 110.1° | 109.4° |
| O2 | C11 | C10 | 109.2° | 109.5° |
| O2 | C11 | C6 | 114.8° | 109.5° |
| O2 | C11 | H17 | 109.3° | 109.5° |
| C11 | O2 | H34 | 109.5° | 114.0° |
| C11 | C10 | C9 | 110.6° | 109.5° |
| C10 | C11 | C6 | 107.2° | 109.4° |
| C11 | C10 | H16 | 108.9° | 109.5° |
| C10 | C11 | H17 | 108.1° | 109.5° |
| C10 | C9 | N2 | 110.7° | 109.5° |
| C10 | C9 | C8 | 106.7° | 109.5° |
| C10 | C9 | H15 | 108.7° | 109.5° |
| C9 | C10 | H16 | 109.0° | 109.4° |
| C4 | O | C3 | 114.5° | 114.1° |
| O | C4 | C | 110.1° | 109.5° |
| O | C4 | H5 | 110.6° | 109.5° |
| O | C3 | O1 | 110.5° | 109.5° |
| O | C3 | C2 | 109.4° | 109.4° |
| O | C3 | H4 | 111.0° | 109.5° |
| C4 | C | C1 | 111.7° | 109.0° |
| C | C4 | H5 | 109.6° | 109.5° |
| C4 | C | H38 | 108.9° | 109.5° |
| C4 | C | H39 | 108.9° | 109.5° |
| N2 | C9 | C8 | 112.8° | 109.5° |
| N2 | C9 | H15 | 109.2° | 109.4° |
| C9 | N2 | H28 | 109.5° | 111.0° |
| C9 | N2 | H29 | 109.5° | 111.0° |
| C11 | C6 | O1 | 111.5° | 109.5° |
| C11 | C6 | C7 | 110.8° | 109.5° |
| C11 | C6 | H9 | 109.4° | 109.5° |
| C6 | C11 | H17 | 108.0° | 109.4° |
| O1 | C6 | C7 | 105.0° | 109.4° |
| C6 | O1 | C3 | 122.6° | 114.0° |
| O1 | C6 | H9 | 110.6° | 109.5° |
| C6 | C7 | C8 | 111.1° | 109.5° |
| C6 | C7 | N3 | 112.3° | 109.5° |
| C7 | C6 | H9 | 109.4° | 109.4° |
| C6 | C7 | H11 | 107.1° | 109.5° |
| C9 | C8 | C7 | 111.7° | 109.4° |
| C9 | C8 | H13 | 108.9° | 109.4° |
| C9 | C8 | H14 | 108.9° | 109.4° |
| C8 | C9 | H15 | 108.5° | 109.5° |
| C8 | C7 | N3 | 111.0° | 109.5° |
| C8 | C7 | H11 | 107.1° | 109.5° |
| C7 | C8 | H13 | 108.9° | 109.5° |
| C7 | C8 | H14 | 108.9° | 109.5° |
| O1 | C3 | C2 | 105.7° | 109.5° |
| O1 | C3 | H4 | 110.8° | 109.4° |
| C3 | C2 | C1 | 106.0° | 109.2° |
| C3 | C2 | N4 | 110.8° | 109.5° |
| C3 | C2 | H3 | 109.8° | 109.6° |
| C2 | C3 | H4 | 109.4° | 109.5° |
| C | C1 | C2 | 117.0° | 109.1° |
| C | C1 | H1 | 107.6° | 109.5° |
| C | C1 | H2 | 107.6° | 109.5° |
| C1 | C | H38 | 108.9° | 109.7° |
| C1 | C | H39 | 108.9° | 109.5° |
| N3 | C7 | H11 | 107.9° | 109.4° |
| C7 | N3 | H31 | 109.5° | 110.9° |
| C7 | N3 | H32 | 109.4° | 111.0° |
| C1 | C2 | N4 | 109.8° | 109.5° |
| C2 | C1 | H1 | 107.5° | 109.6° |
| C2 | C1 | H2 | 107.6° | 109.6° |
| C1 | C2 | H3 | 109.8° | 109.5° |
| N4 | C2 | H3 | 110.5° | 109.5° |
| C2 | N4 | H35 | 109.5° | 111.0° |
| C2 | N4 | H36 | 109.5° | 111.0° |
| H1 | C1 | H2 | 109.5° | 109.5° |
| H6 | C5 | H7 | 109.5° | 109.5° |
| H13 | C8 | H14 | 109.5° | 109.4° |
| H21 | N1 | H22 | 109.5° | 111.0° |
| H26 | C17 | H27 | 109.5° | 109.5° |
| H28 | N2 | H29 | 109.5° | 111.0° |
| H31 | N3 | H32 | 109.5° | 111.0° |
| H35 | N4 | H36 | 109.5° | 111.0° |
| H38 | C | H39 | 109.5° | 109.6° |
| H40 | N | H41 | 109.5° | 111.0° |
Dihedrals
| First atom | Second atom | Third atom | Fourth atom | Torsion (experimental model) | Torsion (ideal model) |
| O7 | C13 | C12 | C14 | 125.9° | 119.9° |
| O7 | C13 | C12 | H19 | 119.0° | 120.1° |
| O7 | C13 | C14 | H19 | 121.6° | 120.2° |
| O7 | C13 | C14 | N1 | 46.1° | 63.3° |
| O7 | C13 | C12 | O4 | 173.8° | 177.5° |
| O7 | C13 | C12 | O3 | 68.1° | 57.5° |
| O7 | C13 | C14 | C15 | 171.9° | 176.9° |
| O7 | C13 | C12 | H18 | 52.8° | 62.5° |
| O7 | C13 | C14 | H20 | 73.8° | 57.0° |
| N | C5 | C4 | H6 | 120.7° | 120.0° |
| N | C5 | C4 | H7 | 120.7° | 120.0° |
| N | C5 | C4 | O | 76.0° | 65.0° |
| N | C5 | C4 | C | 165.0° | 175.0° |
| N | C5 | C4 | H5 | 41.0° | 55.0° |
| N | C5 | H6 | H7 | 117.7° | 120.0° |
| C5 | N | H40 | H41 | 120.0° | 124.0° |
| C12 | C13 | C14 | H19 | 115.2° | 120.0° |
| C12 | C13 | C14 | N1 | 169.3° | 176.9° |
| C13 | C12 | O4 | O3 | 119.5° | 120.1° |
| C13 | C12 | O4 | H18 | 120.2° | 120.0° |
| C13 | C12 | O3 | H18 | 119.9° | 120.0° |
| C12 | C13 | C14 | C15 | 64.8° | 57.0° |
| C13 | C12 | O4 | C16 | 57.5° | 61.2° |
| C13 | C12 | O3 | C10 | 129.4° | 174.6° |
| C12 | C13 | O7 | H12 | 180.0° | 60.0° |
| C12 | C13 | C14 | H20 | 49.4° | 62.9° |
| C13 | C14 | N1 | C15 | 122.6° | 119.5° |
| C13 | C14 | N1 | H20 | 119.4° | 120.2° |
| C14 | C13 | C12 | O4 | 60.3° | 57.7° |
| C14 | C13 | C12 | O3 | 57.8° | 62.4° |
| C13 | C14 | C15 | H20 | 114.3° | 119.9° |
| C13 | C14 | C15 | C16 | 64.2° | 57.0° |
| C13 | C14 | C15 | O6 | 177.1° | 176.9° |
| C14 | C13 | O7 | H12 | 59.1° | 179.6° |
| C14 | C13 | C12 | H18 | 178.7° | 177.6° |
| C13 | C14 | N1 | H21 | 180.0° | 60.0° |
| C13 | C14 | N1 | H22 | 60.0° | 64.0° |
| C13 | C14 | C15 | H24 | 53.5° | 62.9° |
| N1 | C14 | C15 | H20 | 118.5° | 120.2° |
| N1 | C14 | C15 | C16 | 168.5° | 176.8° |
| N1 | C14 | C15 | O6 | 49.8° | 63.3° |
| N1 | C14 | C13 | H19 | 75.5° | 56.9° |
| C14 | N1 | H21 | H22 | 120.0° | 124.0° |
| N1 | C14 | C15 | H24 | 73.8° | 57.0° |
| O4 | C12 | O3 | H18 | 120.2° | 120.0° |
| C12 | O4 | C16 | C15 | 56.8° | 61.1° |
| C12 | O4 | C16 | C17 | 179.0° | 178.9° |
| O4 | C12 | O3 | C10 | 110.8° | 65.4° |
| O4 | C12 | C13 | H19 | 54.8° | 62.3° |
| C12 | O4 | C16 | H25 | 63.2° | 58.9° |
| O3 | C12 | O4 | C16 | 62.0° | 58.9° |
| C12 | O3 | C10 | C11 | 88.5° | 150.0° |
| C12 | O3 | C10 | C9 | 150.6° | 90.0° |
| C12 | O3 | C10 | H16 | 30.4° | 29.9° |
| O3 | C12 | C13 | H19 | 172.8° | 177.6° |
| C5 | C4 | O | C | 122.5° | 120.0° |
| C5 | C4 | O | H5 | 116.2° | 120.0° |
| C5 | C4 | O | C3 | 177.5° | 178.8° |
| C5 | C4 | C | H5 | 123.9° | 120.0° |
| C5 | C4 | C | C1 | 157.9° | 177.6° |
| C4 | C5 | H6 | H7 | 117.8° | 120.0° |
| C5 | C4 | C | H38 | 37.6° | 62.4° |
| C5 | C4 | C | H39 | 81.7° | 57.8° |
| C4 | C5 | N | H40 | 180.0° | 56.0° |
| C4 | C5 | N | H41 | 60.0° | 180.0° |
| C14 | C15 | C16 | O4 | 58.7° | 57.6° |
| C14 | C15 | C16 | O6 | 122.1° | 119.9° |
| C14 | C15 | C16 | H24 | 117.6° | 119.9° |
| C14 | C15 | O6 | H24 | 122.7° | 120.2° |
| C14 | C15 | C16 | C17 | 176.9° | 177.6° |
| C14 | C15 | O6 | H10 | 180.0° | 180.0° |
| C15 | C14 | C13 | H19 | 50.3° | 62.9° |
| C15 | C14 | N1 | H21 | 57.4° | 179.6° |
| C15 | C14 | N1 | H22 | 177.4° | 55.6° |
| C14 | C15 | C16 | H25 | 62.0° | 62.4° |
| O4 | C16 | C15 | C17 | 118.2° | 120.0° |
| O4 | C16 | C15 | H25 | 120.7° | 120.0° |
| O4 | C16 | C15 | O6 | 179.2° | 177.5° |
| O4 | C16 | C17 | O5 | 20.6° | 63.6° |
| O4 | C16 | C17 | H25 | 118.4° | 120.0° |
| C16 | O4 | C12 | H18 | 177.6° | 178.9° |
| O4 | C16 | C15 | H24 | 58.9° | 62.3° |
| O4 | C16 | C17 | H26 | 99.5° | 56.4° |
| O4 | C16 | C17 | H27 | 140.7° | 176.4° |
| C16 | C15 | O6 | H24 | 119.5° | 120.1° |
| C15 | C16 | C17 | O5 | 141.3° | 176.4° |
| C15 | C16 | C17 | H25 | 121.0° | 120.0° |
| C16 | C15 | O6 | H10 | 62.2° | 60.3° |
| C16 | C15 | C14 | H20 | 50.1° | 62.9° |
| C15 | C16 | C17 | H26 | 21.2° | 63.6° |
| C15 | C16 | C17 | H27 | 98.6° | 56.4° |
| O6 | C15 | C16 | C17 | 61.0° | 62.5° |
| O6 | C15 | C14 | H20 | 68.7° | 57.0° |
| O6 | C15 | C16 | H25 | 60.1° | 57.5° |
| O5 | C17 | C16 | H26 | 120.1° | 120.0° |
| O5 | C17 | C16 | H27 | 120.1° | 120.0° |
| O5 | C17 | C16 | H25 | 97.7° | 56.4° |
| O5 | C17 | H26 | H27 | 119.7° | 120.0° |
| C16 | C17 | O5 | H8 | 180.0° | 180.0° |
| C17 | C16 | C15 | H24 | 59.3° | 57.7° |
| C16 | C17 | H26 | H27 | 119.8° | 120.0° |
| O3 | C10 | C11 | O2 | 48.8° | 60.0° |
| O3 | C10 | C11 | C9 | 120.6° | 120.0° |
| O3 | C10 | C11 | H16 | 119.7° | 120.0° |
| O3 | C10 | C9 | H16 | 120.9° | 119.9° |
| O3 | C10 | C9 | N2 | 52.5° | 60.0° |
| O3 | C10 | C11 | C6 | 173.7° | 180.0° |
| O3 | C10 | C9 | C8 | 175.6° | 180.0° |
| O3 | C10 | C9 | H15 | 67.5° | 60.0° |
| O3 | C10 | C11 | H17 | 70.0° | 60.0° |
| C10 | O3 | C12 | H18 | 9.5° | 54.6° |
| O2 | C11 | C10 | C6 | 124.9° | 120.0° |
| O2 | C11 | C10 | H17 | 118.8° | 120.1° |
| O2 | C11 | C10 | C9 | 169.5° | 180.0° |
| O2 | C11 | C6 | H17 | 122.1° | 120.0° |
| O2 | C11 | C6 | O1 | 63.4° | 60.0° |
| O2 | C11 | C6 | C7 | 179.9° | 180.0° |
| O2 | C11 | C6 | H9 | 59.4° | 60.0° |
| O2 | C11 | C10 | H16 | 70.9° | 60.0° |
| C11 | C10 | C9 | H16 | 119.6° | 120.1° |
| C11 | C10 | C9 | N2 | 171.9° | 180.0° |
| C10 | C11 | C6 | H17 | 116.3° | 120.0° |
| C10 | C11 | C6 | O1 | 175.1° | 180.0° |
| C10 | C11 | C6 | C7 | 58.5° | 60.0° |
| C11 | C10 | C9 | C8 | 64.9° | 60.0° |
| C10 | C11 | C6 | H9 | 62.2° | 60.0° |
| C11 | C10 | C9 | H15 | 51.9° | 60.0° |
| C10 | C11 | O2 | H34 | 180.0° | 66.7° |
| C10 | C9 | N2 | C8 | 119.5° | 120.0° |
| C10 | C9 | N2 | H15 | 119.7° | 120.0° |
| C9 | C10 | C11 | C6 | 65.6° | 60.0° |
| C10 | C9 | C8 | H15 | 117.0° | 120.0° |
| C10 | C9 | C8 | C7 | 58.1° | 60.0° |
| C10 | C9 | C8 | H13 | 62.2° | 180.0° |
| C10 | C9 | C8 | H14 | 178.5° | 60.0° |
| C9 | C10 | C11 | H17 | 50.6° | 59.9° |
| C10 | C9 | N2 | H28 | 180.0° | 180.0° |
| C10 | C9 | N2 | H29 | 60.0° | 56.1° |
| O | C4 | C | H5 | 121.9° | 120.0° |
| C4 | O | C3 | O1 | 46.7° | 58.9° |
| C4 | O | C3 | C2 | 69.2° | 61.2° |
| O | C4 | C | C1 | 43.7° | 57.5° |
| C4 | O | C3 | H4 | 170.0° | 178.8° |
| O | C4 | C5 | H6 | 44.7° | 175.0° |
| O | C4 | C5 | H7 | 163.3° | 55.0° |
| O | C4 | C | H38 | 76.6° | 177.5° |
| O | C4 | C | H39 | 164.0° | 62.3° |
| C3 | O | C4 | C | 60.0° | 61.2° |
| O | C3 | O1 | C6 | 73.6° | 72.6° |
| O | C3 | O1 | C2 | 118.2° | 120.0° |
| O | C3 | O1 | H4 | 123.4° | 120.0° |
| O | C3 | C2 | H4 | 121.7° | 120.0° |
| O | C3 | C2 | C1 | 58.5° | 57.6° |
| O | C3 | C2 | N4 | 177.7° | 177.5° |
| O | C3 | C2 | H3 | 60.0° | 62.3° |
| C3 | O | C4 | H5 | 61.3° | 58.8° |
| C4 | C | C1 | H38 | 120.3° | 119.9° |
| C4 | C | C1 | H39 | 120.3° | 119.8° |
| C4 | C | C1 | C2 | 42.3° | 56.9° |
| C4 | C | C1 | H1 | 163.3° | 63.0° |
| C4 | C | C1 | H2 | 78.8° | 176.9° |
| C | C4 | C5 | H6 | 74.3° | 55.0° |
| C | C4 | C5 | H7 | 44.3° | 65.0° |
| C4 | C | H38 | H39 | 119.0° | 120.1° |
| N2 | C9 | C8 | H15 | 121.2° | 120.0° |
| N2 | C9 | C8 | C7 | 180.0° | 180.0° |
| N2 | C9 | C8 | H13 | 59.6° | 60.0° |
| N2 | C9 | C8 | H14 | 59.7° | 60.0° |
| N2 | C9 | C10 | H16 | 68.4° | 60.0° |
| C9 | N2 | H28 | H29 | 120.0° | 123.9° |
| C11 | C6 | O1 | C7 | 120.1° | 120.0° |
| C11 | C6 | O1 | H9 | 122.0° | 120.1° |
| C11 | C6 | C7 | H9 | 120.7° | 120.0° |
| C11 | C6 | C7 | C8 | 53.7° | 60.0° |
| C11 | C6 | O1 | C3 | 55.9° | 88.5° |
| C11 | C6 | C7 | N3 | 178.7° | 180.0° |
| C11 | C6 | C7 | H11 | 63.0° | 60.0° |
| C6 | C11 | C10 | H16 | 54.1° | 60.0° |
| C6 | C11 | O2 | H34 | 59.6° | 173.3° |
| O1 | C6 | C7 | H9 | 118.7° | 120.0° |
| O1 | C6 | C7 | C8 | 174.3° | 179.9° |
| C6 | O1 | C3 | C2 | 168.2° | 167.4° |
| O1 | C6 | C7 | N3 | 60.8° | 60.0° |
| C6 | O1 | C3 | H4 | 49.8° | 47.3° |
| O1 | C6 | C7 | H11 | 57.5° | 60.0° |
| O1 | C6 | C11 | H17 | 58.8° | 60.0° |
| C6 | C7 | C8 | C9 | 53.9° | 60.0° |
| C6 | C7 | C8 | N3 | 125.7° | 120.0° |
| C6 | C7 | C8 | H11 | 116.7° | 120.1° |
| C7 | C6 | O1 | C3 | 176.0° | 151.5° |
| C6 | C7 | N3 | H11 | 117.9° | 120.0° |
| C6 | C7 | C8 | H13 | 66.5° | 180.0° |
| C6 | C7 | C8 | H14 | 174.2° | 60.0° |
| C7 | C6 | C11 | H17 | 57.8° | 60.0° |
| C6 | C7 | N3 | H31 | 180.0° | 173.3° |
| C6 | C7 | N3 | H32 | 60.0° | 62.8° |
| C9 | C8 | C7 | H13 | 120.3° | 120.0° |
| C9 | C8 | C7 | H14 | 120.3° | 120.0° |
| C9 | C8 | C7 | N3 | 179.6° | 180.0° |
| C9 | C8 | C7 | H11 | 62.8° | 60.0° |
| C9 | C8 | H13 | H14 | 119.0° | 119.9° |
| C8 | C9 | C10 | H16 | 54.7° | 60.0° |
| C8 | C9 | N2 | H28 | 60.5° | 60.0° |
| C8 | C9 | N2 | H29 | 59.6° | 63.9° |
| C8 | C7 | N3 | H11 | 117.1° | 120.0° |
| C8 | C7 | C6 | H9 | 67.0° | 60.0° |
| C7 | C8 | H13 | H14 | 119.0° | 120.1° |
| C7 | C8 | C9 | H15 | 58.8° | 60.0° |
| C8 | C7 | N3 | H31 | 55.0° | 53.3° |
| C8 | C7 | N3 | H32 | 175.0° | 177.2° |
| O1 | C3 | C2 | H4 | 119.3° | 120.0° |
| O1 | C3 | C2 | C1 | 60.4° | 62.4° |
| O1 | C3 | C2 | N4 | 58.7° | 57.5° |
| O1 | C3 | C2 | H3 | 179.0° | 177.7° |
| C3 | O1 | C6 | H9 | 66.2° | 31.6° |
| C3 | C2 | C1 | C | 48.1° | 57.0° |
| C3 | C2 | C1 | N4 | 119.8° | 119.9° |
| C3 | C2 | C1 | H3 | 118.6° | 120.0° |
| C3 | C2 | N4 | H3 | 122.0° | 120.2° |
| C3 | C2 | C1 | H1 | 169.2° | 62.9° |
| C3 | C2 | C1 | H2 | 73.0° | 177.0° |
| C3 | C2 | N4 | H35 | 180.0° | 179.7° |
| C3 | C2 | N4 | H36 | 60.0° | 55.7° |
| C | C1 | C2 | H1 | 121.1° | 119.9° |
| C | C1 | C2 | H2 | 121.1° | 119.9° |
| C | C1 | C2 | N4 | 167.8° | 176.9° |
| C | C1 | H1 | H2 | 116.6° | 120.1° |
| C | C1 | C2 | H3 | 70.5° | 62.9° |
| C1 | C | C4 | H5 | 78.2° | 62.4° |
| C1 | C | H38 | H39 | 119.0° | 120.2° |
| N3 | C7 | C6 | H9 | 58.0° | 60.0° |
| N3 | C7 | C8 | H13 | 59.3° | 60.1° |
| N3 | C7 | C8 | H14 | 60.1° | 60.0° |
| C7 | N3 | H31 | H32 | 120.0° | 123.9° |
| C1 | C2 | N4 | H3 | 121.3° | 120.1° |
| C2 | C1 | H1 | H2 | 116.6° | 120.2° |
| C1 | C2 | C3 | H4 | 179.7° | 177.6° |
| C1 | C2 | N4 | H35 | 63.3° | 60.1° |
| C1 | C2 | N4 | H36 | 56.8° | 64.0° |
| C2 | C1 | C | H38 | 78.1° | 176.8° |
| C2 | C1 | C | H39 | 162.6° | 62.9° |
| N4 | C2 | C1 | H1 | 71.1° | 57.0° |
| N4 | C2 | C1 | H2 | 46.8° | 63.1° |
| N4 | C2 | C3 | H4 | 60.6° | 62.5° |
| C2 | N4 | H35 | H36 | 120.0° | 124.0° |
| H1 | C1 | C2 | H3 | 50.6° | 177.1° |
| H1 | C1 | C | H38 | 43.0° | 56.9° |
| H1 | C1 | C | H39 | 76.3° | 177.2° |
| H2 | C1 | C2 | H3 | 168.5° | 57.0° |
| H2 | C1 | C | H38 | 160.9° | 63.2° |
| H2 | C1 | C | H39 | 41.5° | 57.1° |
| H3 | C2 | C3 | H4 | 61.8° | 57.7° |
| H3 | C2 | N4 | H35 | 58.0° | 60.1° |
| H3 | C2 | N4 | H36 | 178.1° | 175.9° |
| H5 | C4 | C5 | H6 | 161.7° | 65.0° |
| H5 | C4 | C5 | H7 | 79.6° | 175.0° |
| H5 | C4 | C | H38 | 161.5° | 57.6° |
| H5 | C4 | C | H39 | 42.1° | 177.8° |
| H6 | C5 | N | H40 | 59.3° | 64.0° |
| H6 | C5 | N | H41 | 60.7° | 60.0° |
| H7 | C5 | N | H40 | 59.3° | 176.0° |
| H7 | C5 | N | H41 | 179.3° | 60.0° |
| H8 | O5 | C17 | H26 | 59.9° | 60.0° |
| H8 | O5 | C17 | H27 | 59.9° | 60.0° |
| H9 | C6 | C7 | H11 | 176.3° | 180.0° |
| H9 | C6 | C11 | H17 | 178.5° | 180.0° |
| H10 | O6 | C15 | H24 | 57.3° | 59.8° |
| H11 | C7 | C8 | H13 | 176.8° | 59.9° |
| H11 | C7 | C8 | H14 | 57.5° | 180.0° |
| H11 | C7 | N3 | H31 | 62.1° | 66.7° |
| H11 | C7 | N3 | H32 | 57.9° | 57.1° |
| H12 | O7 | C13 | H19 | 61.7° | 60.1° |
| H13 | C8 | C9 | H15 | 179.2° | 60.0° |
| H14 | C8 | C9 | H15 | 61.5° | 179.9° |
| H15 | C9 | C10 | H16 | 171.6° | 179.9° |
| H15 | C9 | N2 | H28 | 60.3° | 60.0° |
| H15 | C9 | N2 | H29 | 179.6° | 176.1° |
| H16 | C10 | C11 | H17 | 170.3° | 180.0° |
| H17 | C11 | O2 | H34 | 61.9° | 53.4° |
| H18 | C12 | C13 | H19 | 66.3° | 57.6° |
| H19 | C13 | C14 | H20 | 164.6° | 177.1° |
| H20 | C14 | N1 | H21 | 60.6° | 60.2° |
| H20 | C14 | N1 | H22 | 59.4° | 175.8° |
| H20 | C14 | C15 | H24 | 167.7° | 177.2° |
| H24 | C15 | C16 | H25 | 179.6° | 177.7° |
| H25 | C16 | C17 | H26 | 142.2° | 176.4° |
| H25 | C16 | C17 | H27 | 22.3° | 63.6° |
